#DEFINITION	Reference Metabolome for Alsophila spinulosa
#IDENTTFIER	RefMeta-Alsophila spinulosa.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Alsophila spinulosa
#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 Alsophila spinulosa 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	999.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	14.6
73.02966	1.7
85.02943	4.6
87.00883	2.2
89.02439	15.7
95.05064	1.6
97.02959	2.6
99.00919	1.4
101.02443	9.9
111.08175	14.7
113.02450	5.3
116.92834	1.7
119.03490	2.9
125.02454	2.8
161.04608	1.7
167.10791	2.6
173.89864	1.2
177.12846	1.5
179.05696	1.7
179.10765	2.2
195.13988	14.8
221.06868	1.9
247.20695	2.0
289.18069	4.7
291.19702	100.0
293.21350	7.7
307.19168	6.5
397.13403	10.3
415.14627	7.1
685.88959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	10.7
72.23129	1.4
83.01401	2.5
85.02972	2.6
87.00864	1.8
89.02445	14.1
101.02467	10.6
111.08215	12.7
111.85336	1.5
113.02497	7.1
115.87360	1.6
121.33604	1.7
125.02437	7.6
151.11307	2.2
161.04553	2.1
166.47839	1.8
169.12347	6.9
171.10220	1.8
173.47601	1.8
181.12335	1.8
197.11861	66.9
199.13547	2.2
211.13406	9.3
223.13455	1.7
263.20126	3.6
267.11496	1.7
291.19656	17.5
307.19073	1.7
309.20755	100.0
397.13550	27.0
408.10895	1.9
415.14545	13.3
488.28201	2.9
554.94928	1.7
561.27917	2.0
562.00519	2.0
707.35187	3.0
760.49335	2.0
773.80054	1.9
829.21649	2.0
869.62427	1.9
893.24170	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	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	46.4
73.02949	5.2
74.08047	2.9
78.95919	3.6
81.03448	3.2
85.02980	7.0
87.00882	4.2
89.02444	34.7
95.01409	3.2
97.02956	4.9
97.06686	3.5
99.00865	4.0
101.02460	23.8
102.66976	3.5
111.08185	13.8
113.02467	16.7
119.03489	11.6
125.02485	12.3
125.09733	12.6
137.09755	3.0
139.32100	3.0
149.64845	3.2
152.99557	3.6
155.75677	3.9
177.12883	3.9
179.05663	12.1
185.11836	12.8
195.13953	21.2
197.11852	33.5
207.10333	5.3
209.11888	14.2
211.13416	4.2
223.13406	15.5
235.08118	4.9
245.19070	6.8
275.20389	4.8
289.18195	43.5
291.19705	97.7
293.21268	100.0
307.19211	40.1
309.20651	44.4
397.13602	41.9
415.14786	22.3
999.55585	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	998.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91974	11.3
71.01400	12.7
74.36073	12.0
80.10612	12.8
248.64597	14.7
277.21729	100.0
278.22137	95.9
279.22397	25.9
317.12283	15.7
339.03580	15.3
397.13379	16.4
992.88202	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	995.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	14.0
71.01725	0.8
72.99301	1.0
73.02964	3.4
83.01417	1.2
85.02966	3.2
85.87435	0.5
87.00894	2.5
89.02436	13.4
92.10052	1.3
95.01431	1.3
97.02974	2.3
99.00904	0.8
101.02442	11.3
113.02450	6.4
119.03495	1.4
123.56411	0.5
125.02454	5.5
143.03476	0.9
144.77287	0.6
161.04541	2.7
167.83012	0.5
179.05713	1.2
195.19031	0.6
217.07173	0.6
221.06621	0.7
235.08228	4.4
277.21756	100.0
278.22049	1.3
305.09180	0.7
308.71683	0.6
379.12567	9.3
397.13568	27.0
415.14658	4.7
657.35461	0.9
675.36511	2.9
733.83429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.9
75.00873	1.3
81.60105	1.3
83.01398	5.3
87.00879	1.8
92.67892	1.2
93.03455	5.3
95.05037	2.0
105.01925	3.0
107.05045	2.4
109.02941	13.9
113.02453	1.7
117.03460	6.1
119.04987	2.1
121.02948	7.2
123.04507	16.4
125.02435	50.4
133.02972	19.0
135.04510	42.8
137.02425	17.8
139.04012	2.4
145.02914	6.8
147.00841	2.6
147.04533	8.2
149.02451	30.1
149.04187	1.4
149.06102	2.0
151.03990	15.7
159.04507	5.0
161.02435	60.1
161.06052	2.7
162.03163	7.2
163.00346	9.2
163.02722	2.5
163.04012	60.8
164.01128	2.6
165.01912	6.4
167.03441	1.6
171.04535	2.6
173.02383	2.9
173.06125	2.2
174.03140	1.2
175.03992	33.5
176.01154	1.6
177.01939	13.6
177.05518	2.1
179.03481	16.8
183.04561	1.7
187.03952	8.7
189.01938	100.0
189.05566	7.7
190.02711	9.2
191.03517	84.8
191.05333	3.2
197.06081	1.7
199.03990	6.6
199.07600	1.6
201.01971	8.9
201.05566	7.3
202.02710	5.1
203.03500	25.8
203.07091	6.7
205.01292	4.1
205.05086	8.2
207.03032	15.1
209.04495	12.3
213.01875	4.7
213.05562	6.5
215.03500	5.7
217.01489	2.2
217.05005	5.4
219.03000	84.0
220.03593	1.7
221.04552	26.4
222.51006	1.3
225.05521	2.1
227.03529	6.0
229.05125	5.3
231.03038	23.1
231.06601	2.6
233.04497	2.8
241.05020	9.4
243.02858	9.6
243.06529	2.2
245.04529	6.8
245.08176	8.3
247.06113	2.2
249.03865	8.9
255.03000	29.3
255.05891	1.7
256.03751	4.6
257.04544	2.5
267.06720	1.7
268.03720	1.7
269.04565	25.2
273.04062	10.3
279.02945	5.3
281.04587	5.2
283.06253	1.7
285.04196	1.9
289.07275	14.1
291.05084	23.2
293.04562	5.3
309.03275	1.5
309.06311	26.2
319.06293	1.7
321.03885	1.4
329.06659	1.7
359.05609	1.5
375.05234	1.9
395.07761	68.7
396.08121	1.5
399.04694	1.4
407.07794	14.3
421.09479	3.1
435.07556	2.1
445.09384	1.8
447.07468	5.2
458.45624	1.2
479.09979	10.2
509.10895	15.2
525.08228	16.3
526.08618	1.8
543.09503	21.0
551.09930	1.6
555.09882	1.9
557.11249	2.5
581.12878	1.9
615.11407	6.2
677.12970	40.5
678.13562	2.1
687.13599	1.6
695.14166	42.1
697.14343	2.2
723.14209	1.8
753.14215	2.7
875.18390	11.0
905.18921	13.5
995.23059	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	989.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.5
71.01381	1.7
71.63873	0.9
71.86961	1.0
72.99306	1.6
75.00864	22.0
76.62139	0.9
81.03464	1.8
83.01397	7.1
87.00858	0.9
89.02440	5.0
93.03451	20.4
95.01395	2.3
95.05025	4.6
97.02947	31.0
104.57272	1.0
105.03441	1.5
107.01396	2.1
107.05035	5.5
108.02164	1.8
109.02928	7.8
113.02450	1.5
117.03434	1.1
119.05011	5.4
120.02160	1.5
121.02925	10.2
123.04507	13.7
124.01662	4.0
125.02439	50.9
131.05006	1.3
133.02933	11.6
134.03746	1.6
135.00896	1.7
135.02995	27.4
135.04541	12.1
137.02446	50.7
138.03276	2.1
139.04015	5.1
143.05013	2.3
145.02940	1.4
145.06570	2.2
147.00888	4.1
147.04521	5.5
147.30518	1.2
148.01688	4.4
149.02448	27.4
151.00343	2.0
151.04010	6.6
153.01897	2.1
157.06514	1.3
159.04492	5.9
161.02483	13.2
161.06070	4.3
163.00365	49.6
163.04012	4.7
164.01160	24.3
165.01927	6.8
166.02711	1.7
167.03511	1.3
169.06557	4.7
171.04546	6.2
173.02405	4.7
173.05974	1.7
175.03999	8.8
176.01161	25.8
177.01926	28.8
177.05592	1.3
178.02676	4.3
179.03465	3.8
181.06493	1.4
183.04485	2.2
185.06090	4.2
186.06834	1.6
187.03979	7.7
187.07675	12.1
189.01956	5.6
189.05595	16.9
191.03471	5.2
197.06097	6.1
198.03172	1.8
199.03981	11.4
199.07576	1.7
201.01927	6.3
201.05598	5.9
202.99815	4.1
203.03490	2.0
204.00790	1.5
205.01450	7.5
205.08705	12.0
209.06061	2.3
211.04039	7.0
211.07698	1.6
213.02098	1.4
213.05614	11.0
214.02711	1.4
215.03552	5.8
217.05098	2.3
219.02858	2.0
223.03983	2.5
223.07672	2.4
224.04776	2.5
225.05605	8.8
227.03548	8.3
227.07166	2.4
229.01402	1.6
229.05070	7.1
229.08701	13.7
231.06592	8.2
235.03973	1.6
237.05522	5.4
239.03458	5.3
239.07079	4.0
240.04268	2.2
241.05086	16.1
241.81509	1.2
242.02216	1.1
242.05669	1.7
243.02983	8.8
249.05594	2.3
251.03552	2.0
251.07315	1.9
252.04286	4.4
253.05128	10.5
255.02979	24.2
255.06721	7.1
256.03693	5.9
257.04565	4.4
264.04141	1.1
265.05026	5.7
267.02997	5.1
267.06592	5.9
268.03687	5.2
269.04565	46.4
269.07605	2.0
271.05911	1.9
273.07712	100.0
277.05267	1.4
278.05890	1.3
279.03064	4.5
279.06403	1.1
280.03836	2.3
281.04559	12.5
282.01602	1.3
283.02621	1.5
283.06155	4.9
285.04111	2.1
289.05023	1.6
291.06415	2.5
292.03873	1.2
293.04544	9.6
293.07660	1.2
294.04919	1.5
295.02451	5.8
295.06192	4.3
297.03967	1.4
297.07553	1.6
299.05554	2.4
300.02734	2.0
301.03574	1.4
303.06458	2.1
305.04709	1.6
307.02673	1.5
307.05914	1.6
308.03217	2.5
309.04132	13.7
311.05615	4.9
312.06534	4.8
313.03683	1.5
313.07336	5.1
315.06854	1.3
319.06134	4.3
320.06909	1.2
321.04031	6.1
321.07584	1.3
323.05679	1.8
325.07162	1.3
327.06314	1.4
333.07635	1.3
339.05154	4.1
343.06024	2.6
345.07761	1.3
357.07666	1.3
361.07208	1.8
371.05533	1.8
372.06369	1.2
373.07254	1.8
375.04874	2.3
391.08386	2.5
394.07016	5.1
395.07748	72.7
399.04984	1.5
400.05869	1.7
401.06763	7.6
407.07733	10.9
419.07504	2.5
421.09393	4.1
431.10281	1.4
434.06415	25.1
435.07178	16.1
443.08524	1.1
445.09305	2.5
447.06470	3.8
447.11105	6.1
457.09280	5.7
475.10345	7.0
525.07312	9.0
541.11908	1.8
543.09375	9.3
551.10150	9.3
551.17834	1.1
553.11768	1.3
567.09058	1.4
569.10992	63.1
579.09351	22.5
581.11554	1.3
597.00861	1.8
597.10553	57.5
599.12109	2.1
611.11664	2.1
679.14667	18.8
717.12738	1.2
735.14001	8.3
825.17426	1.9
843.19073	6.6
853.17499	18.6
871.19019	59.0
872.19037	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	987.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
116.52127	12.6
178.63808	16.4
222.76863	13.3
270.76782	14.4
277.21622	16.0
293.21304	100.0
397.13461	58.3
449.43658	15.4
466.90869	14.7
483.20633	16.1
571.71246	15.7
987.54901	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.9
71.01376	36.1
71.12518	1.5
72.99274	1.6
73.02953	6.3
78.26783	1.2
81.03434	1.7
83.01392	5.4
83.05035	2.6
85.02946	9.7
87.00881	7.4
88.09927	1.3
89.02444	38.3
95.05019	2.4
97.02952	6.3
99.00868	2.3
101.02434	26.9
106.48425	1.3
107.30386	1.6
111.08152	11.0
113.02450	14.2
113.09718	2.2
119.03485	7.4
125.02431	9.8
125.09735	2.6
127.07655	2.1
143.03467	2.2
153.09245	12.0
163.11340	2.2
165.12883	1.8
171.10280	20.6
177.12857	2.9
178.09970	2.5
179.05606	8.3
179.73328	1.6
181.41560	1.5
185.11807	3.4
191.10751	2.1
195.13910	23.0
197.11803	6.9
209.11862	49.6
221.06613	5.0
223.13411	6.7
235.08220	7.4
247.20685	1.7
253.09433	2.5
254.53447	1.5
256.13129	1.5
275.20117	7.6
277.21768	36.0
288.04733	1.5
289.18042	13.6
291.19687	91.2
293.21262	100.0
307.19202	56.6
325.20258	19.6
379.12360	1.7
397.13525	45.9
413.09628	1.4
415.14566	17.4
687.32489	9.8
705.33649	16.2
884.84711	1.8
896.48132	2.4
965.55048	17.5
983.55780	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	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.5
71.01383	17.7
73.02930	1.4
78.95936	1.4
85.02956	5.1
87.00875	2.4
89.02446	16.0
94.35202	1.0
96.72694	1.1
96.96013	8.7
97.02927	4.0
98.40377	1.0
101.02441	13.5
101.88116	1.1
104.39359	1.0
107.75915	1.0
111.08138	11.6
113.02461	5.3
119.03516	4.1
119.82153	1.0
125.02462	4.6
143.03560	1.3
161.04599	2.1
167.10757	1.2
169.12370	5.7
179.05594	6.1
179.14519	1.1
181.12320	1.0
185.11713	1.2
193.47307	1.0
195.13905	11.4
197.11865	43.7
209.11716	1.2
211.13432	5.8
223.13387	6.8
231.10135	1.1
235.08183	2.5
256.13074	1.5
275.20197	6.6
287.07922	1.4
291.19724	15.8
293.21283	100.0
309.20740	64.7
379.12708	1.5
397.08981	1.2
397.13602	30.6
415.14548	21.0
585.41394	1.9
673.34064	1.1
689.33575	1.6
691.35681	5.1
707.34338	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	983.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	19.5
73.02972	2.8
73.05569	1.8
76.98145	2.0
78.47316	1.6
85.02991	2.5
87.00893	3.7
89.02435	19.4
92.65874	2.1
95.53987	1.8
101.02444	16.3
111.08190	11.7
113.02440	4.8
119.03545	3.4
121.67690	1.9
125.02468	4.3
126.57164	2.1
161.04443	2.6
163.86063	2.0
169.12303	8.0
171.10303	3.8
179.05760	3.2
180.26929	1.9
181.12413	2.4
195.13867	11.7
197.11852	62.9
199.13370	2.6
211.13449	7.9
223.13362	4.6
235.08298	2.7
251.00162	2.2
263.20349	3.4
275.20032	4.4
277.21851	4.2
291.19778	15.4
293.21265	100.0
309.17154	3.6
309.20758	96.0
318.48737	2.4
397.13455	32.4
415.14481	24.9
478.93658	2.2
500.22586	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	983.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74123	0.7
81.03449	2.2
83.01406	4.0
88.58528	1.0
93.03447	1.3
95.05034	2.3
97.02970	2.1
99.04512	2.0
107.01460	1.0
109.02933	6.3
113.02456	1.5
117.03504	3.9
119.05016	1.6
121.02959	4.0
122.47749	1.1
123.04534	6.5
125.02438	16.6
133.02960	12.2
134.03746	1.3
135.04523	28.0
137.02443	1.7
147.04533	2.0
149.02448	5.7
150.03226	1.0
151.00398	5.0
151.04207	0.9
153.01851	0.9
161.02419	7.5
163.00398	3.5
163.04025	4.1
164.01189	1.9
165.01930	6.7
165.05544	1.1
167.03491	21.9
175.04022	3.9
177.01917	3.8
191.03532	1.7
193.01418	25.8
199.03967	1.4
209.04535	2.1
213.05611	1.4
223.02509	5.6
231.03294	1.2
235.02391	1.2
253.05028	1.3
255.03107	1.4
259.06033	6.3
269.04340	1.1
284.03253	10.7
285.03961	8.4
287.05579	2.3
297.03955	17.7
298.04910	10.8
299.05630	21.1
311.05627	3.8
327.05167	100.0
328.05457	2.3
329.06702	30.0
339.05225	2.3
357.06223	20.8
369.06277	1.9
407.07788	1.5
447.09396	57.4
448.10098	1.2
491.11880	11.2
502.46021	1.0
782.75903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	18.0
77.33743	2.4
85.02962	4.7
89.02452	16.4
92.31875	2.7
97.02950	3.2
101.02467	15.5
111.08163	16.6
113.02490	6.3
116.92890	4.1
119.03533	5.5
125.02435	4.2
129.31822	2.9
163.11208	2.8
177.70996	2.4
179.05641	4.0
195.13951	11.5
198.34560	2.7
209.11879	3.3
235.85678	2.8
268.52475	2.6
271.16794	2.7
277.21710	2.8
289.17990	13.1
291.19720	100.0
293.21268	32.1
307.19144	27.0
397.13681	26.4
397.49109	3.0
415.14526	12.7
456.67261	2.8
582.67627	2.8
687.53210	2.8
705.32959	3.9
731.15118	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	979.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.3
84.04540	0.4
87.00900	0.7
89.02372	0.3
90.82373	0.3
91.01292	0.2
93.78069	0.3
95.03762	0.6
97.02979	0.3
101.02466	0.5
104.05049	0.6
106.06610	1.6
112.04057	0.5
113.02440	0.5
122.06116	1.5
124.07660	4.8
125.02442	1.1
127.05276	0.3
127.36401	0.3
132.04547	27.6
133.02980	1.2
133.05336	14.6
134.06114	5.0
135.04523	1.2
138.05542	0.5
146.02417	0.3
148.04050	1.3
150.05597	1.9
153.01903	0.3
161.02443	7.7
165.04306	21.0
167.03566	0.5
175.03973	0.4
176.03500	1.8
176.07158	1.1
177.04271	2.9
177.05565	0.3
178.05096	2.1
179.03508	1.7
185.08455	0.3
186.09254	1.7
198.09218	0.5
203.03415	0.3
209.03285	6.2
213.06653	1.4
214.12378	5.0
215.11909	5.6
226.07545	0.5
229.09698	3.0
240.10236	1.8
241.09804	3.4
255.11382	1.7
257.12982	29.0
258.13306	0.5
268.08469	0.5
283.10886	13.0
301.11935	21.3
302.12378	0.4
319.02542	0.4
327.09808	1.9
341.08853	0.5
343.12936	0.4
345.10947	100.0
346.11273	1.8
404.20572	0.3
439.12326	1.4
455.11926	0.4
507.16235	43.9
508.16559	1.2
543.84760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78753	1.1
69.49178	1.3
71.01409	1.6
77.05680	1.5
85.01604	1.4
85.02987	6.5
85.06252	1.5
96.96033	9.1
101.02440	12.6
109.02970	30.8
113.02394	1.8
129.01939	36.2
135.04552	1.8
137.02477	3.2
159.04485	1.7
161.02452	2.1
173.02547	1.7
185.02417	20.0
186.03351	2.5
192.00642	1.9
193.06572	1.8
207.03030	2.2
213.05640	2.9
221.06131	6.3
223.04025	2.3
224.04950	2.2
225.05545	5.4
237.05609	6.2
247.03954	2.4
248.04889	3.5
249.05605	10.8
250.06285	1.7
251.03564	13.2
252.04428	5.0
253.05148	3.2
265.05170	12.0
266.05399	1.8
267.06693	3.1
269.04578	2.5
271.90298	1.5
275.03546	2.6
276.04282	3.3
277.05109	25.0
279.03018	100.0
280.03696	15.0
292.03964	2.3
293.04599	31.5
294.05133	2.8
295.06174	21.4
297.04138	8.9
303.02954	2.9
321.04095	80.4
339.05176	26.8
454.25943	1.5
461.08920	3.1
466.22406	1.8
483.09106	12.2
487.06482	1.7
505.07745	2.7
613.12061	60.3
667.13080	2.3
779.15076	10.5
797.15485	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	977.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.0
75.00896	1.6
83.01423	2.5
85.02969	8.5
87.00883	7.8
93.03412	1.7
96.96011	12.3
101.02452	14.0
109.02960	35.5
110.55450	1.6
111.00904	1.5
113.02457	8.9
123.04507	1.9
125.02454	9.4
129.01935	39.1
133.02950	12.1
135.04555	12.1
137.02435	2.1
161.02455	57.4
163.00436	2.0
173.02554	1.6
175.00305	2.0
175.03983	2.4
179.03468	9.0
185.02472	24.6
186.03156	1.6
191.05762	3.2
192.00610	2.0
195.04662	2.2
197.06105	2.1
203.03474	2.2
207.02959	2.4
209.06039	2.9
211.04045	2.6
213.05585	3.0
221.06114	6.6
223.03940	1.9
225.05545	2.9
237.05507	3.0
241.05209	1.8
248.04816	2.7
249.05536	15.3
251.03503	16.3
252.04189	7.0
253.05045	3.3
264.04440	2.0
265.05032	10.8
267.06537	3.7
269.04514	2.4
276.04111	2.5
277.05042	25.1
279.03021	100.0
280.03839	12.0
293.04587	36.8
295.06122	20.9
297.04126	12.4
303.02979	2.8
319.02414	2.1
321.04095	80.3
323.08096	12.3
339.05228	19.8
341.09009	2.2
381.06161	1.9
407.07712	1.9
411.09219	8.3
455.12051	19.7
461.09012	10.9
483.09607	10.8
501.10220	2.0
505.07550	2.3
613.12030	76.2
613.21973	2.8
779.14569	7.2
788.95190	1.9
797.15814	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	973.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	21.6
81.51559	2.8
83.05040	12.2
85.02926	20.5
87.00854	5.8
87.27099	3.3
87.48350	3.0
89.02459	21.9
97.02950	5.7
101.02438	19.2
102.05847	2.8
104.63478	2.8
109.06600	3.6
113.02425	13.4
114.39043	3.0
116.92863	5.9
119.03533	3.5
125.02424	6.6
146.41566	3.5
171.10339	3.9
177.12828	5.2
192.63690	3.3
195.13947	16.9
221.11858	98.1
223.13402	12.1
239.12906	46.6
275.20248	3.0
293.21271	100.0
332.67542	3.3
368.18158	3.1
397.13632	33.8
415.14703	11.4
437.44199	2.8
594.41516	3.5
619.26630	4.2
637.27100	10.6
913.48358	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	3.2
71.01383	28.3
73.02946	2.3
82.21663	2.0
85.02973	9.1
87.00896	4.2
89.02466	25.8
97.02960	3.5
101.02453	17.8
105.08937	2.1
111.08183	15.9
113.02466	13.0
116.92871	2.6
119.03510	5.0
121.17136	2.0
125.02445	4.3
127.07683	2.6
138.10469	2.0
143.03522	3.0
161.04605	2.4
163.49146	2.1
169.12343	3.1
179.14467	2.6
181.12418	2.2
184.67250	2.2
195.13959	13.9
197.11864	68.4
199.13368	3.0
205.12415	12.3
211.13425	10.0
223.13428	65.6
228.23848	2.4
235.08173	4.1
263.20248	4.6
291.19675	14.8
297.15280	2.5
309.20770	100.0
397.13535	41.1
415.14774	16.1
581.82062	2.3
603.26129	3.5
621.27594	21.9
689.33856	8.6
707.35492	4.5
755.02661	2.3
770.83148	2.5
772.01025	2.3
913.48291	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	973.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98518	1.1
69.03461	5.2
71.01381	26.2
73.02945	1.8
74.00652	1.3
83.01422	2.2
85.02972	7.7
87.00892	5.2
89.02441	23.8
92.10746	2.3
95.01424	1.4
97.02969	6.3
101.02444	24.4
109.02914	1.5
111.08176	17.5
113.02427	12.5
119.03519	6.4
125.02392	10.1
125.09732	1.7
143.03479	2.0
161.04568	5.7
165.12898	1.9
167.10791	5.3
169.12349	5.8
179.05676	2.7
179.10748	2.1
179.14417	7.1
195.13931	14.5
197.11864	75.2
199.13361	2.7
205.12398	11.2
211.13335	10.5
221.06760	2.3
223.13438	85.2
232.18489	1.6
235.08269	5.2
263.20120	2.4
265.18161	1.6
287.07593	1.3
291.19724	22.9
309.20758	100.0
333.21014	1.7
379.12552	2.3
397.13544	39.8
415.14630	23.3
522.41949	1.4
603.26819	7.3
603.72760	1.6
621.27625	16.4
689.33551	5.5
707.35388	11.2
913.47803	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	971.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03484	4.1
71.01382	28.3
74.76536	3.8
82.95425	4.6
83.01373	4.7
85.02970	6.1
87.00912	5.4
87.45995	3.4
89.02464	27.0
97.02959	7.8
101.02459	25.8
113.02455	17.5
119.03535	5.8
123.04459	4.4
125.02447	8.9
125.09731	4.3
163.11269	8.4
167.10684	5.0
179.05667	5.1
179.14371	4.4
185.11815	6.0
191.14420	6.6
193.76239	3.8
195.13979	16.7
205.12488	7.0
207.10193	4.0
208.70258	3.7
209.11841	21.9
223.13422	100.0
245.19151	16.9
281.21332	3.9
289.18192	65.8
307.19180	71.2
311.03479	4.2
351.13058	4.0
362.96552	4.0
397.13589	43.8
415.14520	16.9
524.85101	4.2
583.93365	4.3
619.93182	4.7
621.27386	6.9
622.71887	5.6
784.23572	4.4
795.38251	14.7
911.46515	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	967.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.3
71.01378	7.1
72.13646	0.2
72.99304	0.4
73.02940	1.4
81.03448	0.2
83.01399	0.9
85.02956	2.3
85.75153	0.2
87.00879	1.9
89.02441	7.9
95.01391	0.5
95.05026	0.2
97.02950	1.4
99.00903	0.3
101.02444	6.2
111.08159	0.4
113.02457	3.7
113.09784	0.2
119.03517	1.8
123.08231	0.2
125.02444	2.7
131.03516	0.2
143.03519	1.0
161.04564	1.3
167.10809	0.3
169.12395	0.2
177.12857	0.2
179.05652	1.5
179.14391	0.8
195.13919	11.0
196.14638	0.4
205.12270	0.5
205.15961	0.5
211.13412	0.9
221.06696	1.3
223.13420	8.1
225.15007	0.4
228.13631	1.2
231.21185	0.3
235.08290	2.1
249.97063	0.2
253.09465	0.3
256.13138	1.9
275.20203	6.9
287.07809	0.3
293.21271	100.0
294.21637	2.2
305.08871	0.8
323.09772	0.3
343.91171	0.2
379.12445	0.3
397.13553	13.3
415.14651	8.9
448.52368	0.3
569.42126	1.3
654.27386	0.3
673.34589	1.2
691.35693	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	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.1
71.01379	29.4
72.99327	2.0
73.02946	6.0
75.00886	0.5
78.68017	0.3
81.03474	1.5
83.01382	3.3
85.02945	7.7
87.00872	6.6
89.02441	30.6
90.12991	0.3
91.03999	0.3
95.01366	2.5
97.02939	5.0
97.87221	0.3
99.00887	1.7
101.02441	26.5
103.04018	0.4
109.02945	0.7
111.00887	0.5
111.04541	2.0
113.02451	12.5
115.04008	0.5
119.03491	8.6
119.04929	0.3
121.02947	0.5
123.04532	0.4
125.02453	9.5
127.07649	0.4
131.03493	0.7
133.05106	0.7
138.88872	0.3
139.04018	1.4
141.01953	0.5
143.03526	4.8
148.09003	0.6
149.04556	0.4
150.10561	0.5
161.04581	4.8
163.11333	0.6
165.12851	14.6
169.05081	0.7
175.11304	0.4
179.05621	4.3
188.99178	0.3
193.12375	0.3
199.05948	0.4
217.07227	0.4
221.06694	1.8
235.05989	0.5
235.08250	10.4
245.06650	0.6
247.20689	6.9
253.09343	1.7
263.07700	1.1
273.18671	4.0
276.77106	0.3
277.09341	0.7
277.21759	77.3
278.22040	0.6
287.07809	2.7
291.19702	38.9
305.08856	4.3
323.09848	1.3
354.65219	0.3
367.13171	0.3
379.12509	0.5
397.13565	100.0
398.13696	1.2
415.14624	34.8
463.04056	0.3
675.36157	5.5
742.05402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
73.32516	0.4
75.50108	0.5
75.96404	0.5
81.03461	3.9
83.01382	6.8
85.02980	0.6
93.03460	3.1
95.05051	0.6
107.01389	3.9
109.02937	0.9
110.42012	0.5
117.03474	2.3
119.05022	42.2
123.04527	41.8
125.02445	51.1
133.02969	0.9
137.02473	1.1
143.05038	2.5
145.02948	6.1
145.85370	0.6
149.02475	1.3
151.00380	20.2
151.04085	0.8
157.02907	0.8
161.02428	5.0
163.04031	4.6
165.01900	5.7
167.03502	100.0
169.01498	0.9
169.02895	0.8
171.04544	1.1
172.05370	0.8
173.02464	9.2
173.06006	1.2
174.03226	3.4
175.00336	2.6
175.04034	11.7
177.01949	3.6
179.03539	1.2
181.05078	2.4
183.04515	0.8
185.02429	1.3
185.06017	0.8
187.04018	5.6
189.05586	1.0
191.03542	11.6
192.00700	1.0
193.01437	2.5
197.02484	2.2
197.06064	1.1
198.03250	4.0
199.04068	6.4
201.01967	25.3
209.04544	4.3
211.04022	2.0
213.01974	5.6
213.05505	1.0
214.02663	2.3
214.06247	0.8
215.03522	3.7
215.07211	2.7
216.04288	0.9
217.05063	4.2
219.03061	0.9
221.04434	0.8
223.04047	0.8
225.01955	3.4
226.02599	0.9
227.03555	0.9
229.05067	1.4
230.02298	0.9
231.02998	0.7
233.04652	2.6
239.03549	2.9
240.04294	3.0
241.01437	2.6
241.05061	9.5
242.02226	11.4
243.02998	48.5
245.04582	0.7
255.02930	1.1
256.03757	0.5
257.04669	0.8
259.02359	1.3
259.06247	1.1
267.03000	12.2
269.00946	79.4
271.02594	1.1
281.04474	2.3
282.02023	0.6
282.05292	1.0
283.02527	5.4
283.06195	2.5
285.04102	8.7
291.06192	0.6
293.04587	1.2
295.02509	1.2
295.37091	0.7
303.06454	0.9
305.04559	0.8
307.06308	1.3
308.03360	3.8
309.04123	2.7
311.02048	14.0
315.06668	0.6
321.07785	1.0
325.07230	0.9
327.22482	0.6
347.05603	2.7
367.08334	1.1
376.06055	1.0
379.08371	3.3
387.08868	8.9
388.06042	4.4
389.06732	72.5
390.06964	1.4
391.08438	2.9
402.07211	0.8
403.08279	2.9
405.09601	4.5
411.07281	0.7
431.07751	4.0
447.09442	2.5
513.11542	0.9
551.12152	2.6
557.10931	31.0
581.11304	1.3
593.13177	3.6
719.16217	46.1
743.15723	0.9
761.17242	44.5
762.18054	1.0
797.19946	0.6
915.17963	0.7
923.22614	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	967.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	0.7
79.50248	0.3
81.03444	7.4
83.01382	7.9
92.10152	0.7
93.03448	3.7
95.05042	1.5
98.93140	0.3
104.79128	0.3
105.03457	0.4
107.01389	4.8
109.02968	1.4
117.03469	2.2
119.05029	44.0
120.18967	0.4
123.04527	45.0
124.01707	0.4
125.02449	52.1
131.01385	0.8
132.05699	0.4
133.02919	1.6
134.03751	0.6
135.04573	1.5
137.02454	1.5
139.03992	0.5
143.05019	3.1
145.02951	6.6
147.04448	0.8
149.02469	2.8
149.06042	0.5
151.00378	21.8
151.03998	0.5
153.01868	0.4
157.02991	1.6
159.04514	1.3
161.02437	4.1
161.06076	1.3
163.00394	0.8
163.04018	4.8
164.01276	0.4
165.01955	5.6
165.69835	0.3
167.03505	100.0
168.03818	0.6
169.01491	0.6
169.02953	0.5
171.04555	1.6
173.02443	11.2
173.06071	0.6
174.03226	3.2
175.00391	2.7
175.04007	13.8
177.01926	4.3
179.03534	0.7
181.05151	2.4
185.02470	1.5
185.06097	1.9
187.04037	7.0
189.01973	0.5
189.05597	1.4
191.03519	12.9
192.00639	2.0
193.01419	2.2
195.91301	0.8
197.02478	2.1
197.06062	0.7
198.03278	5.0
199.04041	7.0
201.01967	24.5
202.02672	0.4
203.03488	1.5
209.04552	4.4
211.04030	1.9
212.04834	0.4
213.01932	5.3
213.05518	0.8
214.02754	1.9
215.03616	3.3
215.07109	2.6
217.05045	3.7
219.03029	0.7
221.04482	1.3
223.03960	1.8
225.01965	2.2
226.02744	0.7
227.03540	1.6
229.05014	1.9
230.02283	0.8
233.04575	0.7
237.05602	0.5
238.06299	0.5
239.03532	2.2
240.04256	2.0
241.01492	2.7
241.05086	8.3
242.02208	11.5
243.03006	51.3
253.05136	0.7
254.02478	0.4
255.02985	1.5
256.00140	0.7
256.03690	0.5
257.04605	0.5
259.02496	1.5
259.06180	1.6
264.04193	0.5
265.05078	1.6
266.02374	0.7
267.02997	10.0
268.03558	0.5
269.00943	79.3
270.01443	0.6
271.02560	2.7
281.04559	1.5
282.01480	0.4
282.05432	0.7
283.02524	6.0
283.06131	2.8
285.04083	7.4
293.04602	0.8
295.02472	2.3
297.04037	0.8
299.05637	0.8
303.06552	0.7
305.04672	0.5
306.05258	0.6
307.06277	1.9
308.03271	5.2
309.04028	2.5
311.02020	13.5
316.07599	0.5
319.05930	0.7
321.04257	0.5
321.07803	1.5
323.05658	0.7
325.07193	1.7
329.08844	0.5
345.07794	1.6
347.05496	1.3
349.07169	1.5
351.05005	1.3
361.07211	0.4
367.08218	1.5
371.05530	0.5
376.05914	1.6
379.08151	2.8
387.08829	10.0
388.05841	3.7
389.06729	72.2
390.07095	1.5
391.08435	2.4
402.07303	0.5
403.08521	2.6
405.09750	3.9
411.07394	0.8
431.07782	3.8
447.09341	3.4
482.17279	0.4
513.11584	0.7
551.12329	0.6
557.10956	37.8
558.11426	0.8
573.12036	0.5
581.10815	2.3
593.12939	4.1
615.13666	1.4
635.14136	2.4
717.17810	0.5
719.16339	19.0
720.17664	0.4
761.17297	69.3
762.17200	2.6
785.17322	0.7
923.22748	8.7
924.22485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97080	0.9
71.01384	17.0
72.99311	1.5
73.02975	1.4
83.01401	1.4
85.02948	1.9
87.00909	1.3
89.02451	18.6
92.10123	4.2
92.65768	1.0
94.77123	0.9
97.02948	1.3
101.02456	11.5
111.08169	10.7
113.02431	8.9
116.92902	2.0
119.03528	4.1
125.02444	6.3
134.63927	0.9
144.99861	0.9
161.04547	2.2
167.10779	2.0
177.12920	1.7
179.05614	4.5
189.47598	0.9
195.13934	16.6
221.06697	1.1
223.13440	6.4
233.67554	1.1
235.08324	1.6
247.20760	2.2
256.13370	1.3
259.22525	1.2
271.37296	1.2
275.20230	6.2
288.92044	1.0
291.19696	96.5
293.21265	100.0
294.21823	1.1
307.03146	1.1
397.13495	30.9
415.14590	12.6
468.41629	1.1
671.33331	3.9
689.33679	11.9
691.35864	2.3
965.54468	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	965.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
80.56432	0.7
93.03474	8.7
95.01406	1.0
109.02953	4.8
115.72591	0.8
119.05022	13.6
121.02918	1.5
125.02459	1.3
136.81227	0.8
137.02423	3.7
151.00377	1.7
153.01953	1.2
153.24937	0.9
161.02464	1.7
165.01927	38.4
169.03026	0.8
171.01500	0.8
175.83434	0.9
177.01857	0.9
181.02396	1.0
185.02425	1.2
185.06197	0.9
187.04004	1.3
195.02963	0.9
197.02547	1.9
199.04031	1.0
207.69470	0.8
211.04053	1.0
213.01947	8.7
215.03566	1.7
215.23340	0.8
225.01875	3.5
227.03632	1.0
228.31873	0.8
241.01389	5.4
243.02986	13.9
255.03049	2.8
257.04584	1.0
269.00937	70.1
270.01324	1.3
281.04367	1.1
282.01672	0.9
283.02545	10.0
295.02457	7.4
311.01990	0.9
350.86401	0.9
389.06711	100.0
390.06998	1.4
402.07678	0.9
403.08170	3.2
555.09460	13.3
564.73212	0.9
717.14777	4.6
759.15723	14.1
899.01685	0.9
921.20752	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	965.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
80.56432	0.7
93.03474	8.7
95.01406	1.0
109.02953	4.8
115.72591	0.8
119.05022	13.6
121.02918	1.5
125.02459	1.3
136.81227	0.8
137.02423	3.7
151.00377	1.7
153.01953	1.2
153.24937	0.9
161.02464	1.7
165.01927	38.4
169.03026	0.8
171.01500	0.8
175.83434	0.9
177.01857	0.9
181.02396	1.0
185.02425	1.2
185.06197	0.9
187.04004	1.3
195.02963	0.9
197.02547	1.9
199.04031	1.0
207.69470	0.8
211.04053	1.0
213.01947	8.7
215.03566	1.7
215.23340	0.8
225.01875	3.5
227.03632	1.0
228.31873	0.8
241.01389	5.4
243.02986	13.9
255.03049	2.8
257.04584	1.0
269.00937	70.1
270.01324	1.3
281.04367	1.1
282.01672	0.9
283.02545	10.0
295.02457	7.4
311.01990	0.9
350.86401	0.9
389.06711	100.0
390.06998	1.4
402.07678	0.9
403.08170	3.2
555.09460	13.3
564.73212	0.9
717.14777	4.6
759.15723	14.1
899.01685	0.9
921.20752	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	965.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98492	0.3
71.01378	0.6
77.03985	0.6
79.01908	0.5
81.93585	0.3
85.02949	0.3
92.09991	0.5
97.02940	0.3
105.03472	0.4
109.02919	3.0
117.03474	1.4
119.05033	0.6
121.02972	2.3
125.02437	0.5
133.02946	11.2
135.04535	2.7
145.02928	0.4
147.04538	0.7
149.02428	1.1
153.01955	0.6
161.02477	2.6
163.00400	1.2
163.03952	3.1
164.01128	0.4
165.01961	3.5
173.02437	0.4
175.00363	0.3
175.03992	2.6
177.01921	1.7
185.06068	0.7
187.03999	0.4
191.03549	0.6
197.06038	0.3
198.03299	0.3
199.04013	2.2
199.07729	0.7
201.01976	0.7
211.07712	0.5
212.04770	0.4
213.05637	1.2
215.03581	0.6
225.05627	0.7
226.02696	0.5
227.03555	0.4
227.07222	1.4
229.05151	0.6
237.05583	0.5
240.04370	0.6
241.05138	0.4
243.02986	1.2
253.05164	1.5
255.02875	0.4
255.06677	1.4
257.04507	0.5
267.06622	0.5
269.04486	2.3
270.05380	0.6
271.06125	0.4
281.04587	1.5
283.06134	5.5
284.03238	2.5
285.04080	8.4
285.16916	0.4
295.06107	0.6
297.03995	13.0
298.04883	5.4
299.05634	53.1
300.05954	0.7
305.33145	0.4
309.04077	2.9
311.05673	15.4
312.06442	0.4
323.05673	0.7
324.02847	0.5
325.03610	1.9
327.05139	100.0
328.05463	1.2
330.03885	3.4
337.03644	2.2
339.05133	15.9
341.06677	1.2
355.04404	0.4
357.06207	31.0
365.06262	0.4
369.06354	2.5
393.06390	1.1
411.07339	1.6
429.08344	5.0
431.09894	4.6
447.09406	8.7
489.10458	86.0
490.10846	1.5
533.09570	0.7
554.31964	0.4
933.23138	0.5
970.42218	0.4
973.83093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73864	1.2
78.60849	0.9
80.44126	1.1
83.01388	1.6
93.03461	7.6
102.67574	1.0
106.31548	1.0
107.01405	19.1
107.58301	1.3
109.02981	2.0
119.05039	28.7
125.02435	9.1
133.02971	4.5
135.04518	2.1
137.02466	1.6
145.02939	2.4
149.02544	1.3
151.00375	75.9
153.01917	4.4
161.02441	6.5
169.01474	1.6
173.02519	2.3
175.00323	1.9
183.04449	1.5
187.03998	5.2
211.04007	4.2
213.01901	1.7
215.03546	6.9
221.61272	1.2
227.03424	5.5
229.04912	1.8
239.03604	8.9
255.02986	6.5
257.04514	11.2
257.07742	1.4
268.00070	8.8
269.00922	1.4
269.04620	2.0
271.06363	1.3
282.01764	2.2
283.02512	97.2
284.02982	1.8
295.02493	2.3
296.03354	2.7
297.03992	12.4
301.03528	1.9
309.00668	2.2
309.03891	11.1
323.02188	1.2
323.05667	6.4
324.02661	5.3
325.03522	20.9
349.03574	4.9
365.06784	2.4
367.04727	9.7
391.04691	1.4
403.08301	68.6
409.05521	6.2
429.06171	4.5
435.03696	6.7
474.26730	1.2
555.09393	36.6
717.14740	31.4
753.15302	1.3
759.15753	100.0
760.15973	1.6
841.45190	1.4
852.03571	1.4
866.03821	1.2
921.21411	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	959.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.3
71.01388	19.0
73.02928	1.8
75.74620	1.6
77.87735	1.7
85.02981	4.6
87.00933	3.0
87.35585	1.6
89.02438	20.0
90.59785	1.9
90.92808	1.6
92.10758	2.3
97.02971	9.4
99.00917	2.4
101.02431	14.3
109.06590	28.1
113.02461	10.7
113.93038	1.7
119.03548	3.8
121.06643	1.9
123.04501	2.2
125.02463	7.8
142.02733	3.6
161.09750	3.6
163.11292	18.6
179.05710	2.5
181.12361	7.2
195.13933	9.1
207.10306	100.0
209.11926	3.1
221.06776	2.8
223.13426	7.5
225.11363	52.2
275.20078	2.6
292.36288	2.4
293.21277	71.9
309.20645	2.0
397.13571	28.2
415.14609	12.2
605.24371	10.8
623.25629	4.2
627.45081	2.1
899.46881	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	38.8
77.49957	6.1
78.57220	5.9
83.01350	6.1
85.02969	8.0
89.02443	27.1
101.02454	35.1
113.02484	7.0
118.45808	6.2
125.02443	11.3
168.53186	6.3
179.14452	8.1
195.13895	38.2
196.14221	14.8
205.12271	9.4
212.28508	6.5
223.13412	93.8
224.13791	50.8
225.13986	16.4
293.21219	100.0
294.21533	86.5
295.21814	43.7
296.22192	9.2
357.27066	7.4
397.13629	29.9
398.14139	15.1
399.14038	26.6
900.47302	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	959.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36012	0.2
71.01387	1.6
73.02936	0.4
73.88259	0.2
75.00890	0.2
76.48295	0.2
85.02963	3.7
87.00880	11.1
89.02455	1.1
96.96028	0.6
101.02449	0.5
109.02943	1.0
113.02444	9.3
117.03466	0.4
118.52544	0.2
119.03506	0.3
123.04554	0.3
125.02449	0.5
132.02191	1.2
132.26529	0.2
133.02960	22.7
134.03726	0.5
135.04533	16.7
136.50587	0.2
137.02441	0.5
149.06076	1.2
150.03270	0.3
152.48198	0.2
161.02457	100.0
162.02782	2.2
163.02847	0.4
165.05519	0.6
167.03519	0.3
175.03972	1.2
177.05515	2.2
179.03513	18.0
195.05132	1.0
203.03526	6.4
221.04597	2.3
233.04460	0.6
251.05673	1.0
274.01633	0.3
281.06711	2.0
323.04022	0.5
323.07761	8.7
341.08832	11.8
363.11200	0.3
411.01144	0.3
411.09433	10.9
412.09854	0.3
413.22855	0.3
429.39053	0.3
437.11032	2.2
439.12494	12.2
455.12033	18.5
456.12387	0.5
471.15308	1.8
963.17841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.0
72.02235	0.7
75.71741	0.7
85.02975	1.1
89.02519	0.7
91.74619	0.7
94.22675	0.7
101.02436	6.5
109.02956	10.5
111.00957	0.9
113.02456	1.2
125.02454	4.1
129.01933	15.4
133.02960	1.1
134.03728	1.3
135.04536	0.9
136.81633	0.7
137.02423	0.9
139.88417	0.7
147.04459	0.9
148.01707	1.0
149.02390	0.8
151.00423	1.0
152.01186	1.2
153.01935	10.0
159.04559	1.2
161.02460	5.2
163.03938	0.9
173.02444	1.0
175.03995	2.9
177.01918	1.1
178.02785	1.3
185.02402	3.5
186.03224	1.0
187.03906	0.7
191.05074	1.1
195.02992	4.9
195.04874	1.3
201.01942	0.8
207.04520	1.6
219.04605	3.9
221.06126	3.1
223.04189	0.9
227.03465	0.9
235.04036	7.5
236.04926	1.3
237.05582	5.6
243.03098	0.7
243.06628	1.3
245.04573	0.8
247.03996	4.6
248.04819	2.8
249.05528	3.2
251.03520	4.5
255.05164	1.7
257.08109	1.1
263.03513	20.1
264.04306	4.8
265.05078	10.1
266.05875	0.8
267.06662	3.6
275.03525	3.9
276.04297	3.2
277.05115	1.7
279.03009	12.8
280.03757	3.9
281.04422	1.0
291.03030	10.8
292.03864	6.3
293.04596	42.0
294.04965	1.7
295.02573	1.0
295.06021	1.3
311.05658	3.9
319.02515	100.0
320.02966	1.5
321.04117	5.6
337.03619	7.5
339.05212	1.3
365.03384	0.8
375.82413	0.8
379.04504	1.1
481.07968	2.6
616.38989	0.8
617.09003	1.2
721.14301	3.0
747.12018	10.8
753.17218	4.1
779.14679	11.8
899.19507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	4.2
71.01376	19.6
73.02956	1.7
77.73158	0.9
81.18909	0.9
83.01422	1.5
85.02983	6.5
87.00903	4.8
89.02439	22.5
91.63682	0.9
95.01407	1.3
97.02970	4.7
99.00905	1.0
101.02451	17.0
106.29533	1.2
111.08154	8.5
113.02450	10.4
116.92844	6.8
119.03503	5.1
125.02469	6.6
135.14738	1.0
141.09325	1.1
143.03601	1.3
149.09628	1.5
159.81824	1.0
161.04573	2.1
167.10820	7.5
171.10239	1.0
176.26944	0.9
177.12871	1.9
179.05643	5.5
179.10796	4.4
179.14398	1.4
195.13893	19.4
203.14444	1.2
205.12334	10.9
221.06596	1.2
223.13419	68.8
235.08215	5.0
247.20674	4.7
253.09258	1.4
277.21704	2.4
291.19699	100.0
379.12457	2.4
397.13519	32.9
415.14658	6.9
603.26642	7.3
621.27814	10.5
671.33228	9.7
689.33990	10.2
877.45398	6.7
895.47565	5.7
976.78339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.3
68.99827	0.4
71.01384	4.4
71.05024	0.4
72.99323	0.8
73.02949	0.6
77.58919	0.3
81.03468	3.1
83.01391	2.9
83.05039	0.7
84.78462	0.3
85.02953	12.6
87.00899	1.9
89.02458	3.0
91.01893	0.7
91.66934	0.3
95.01411	1.3
96.96017	4.3
97.02966	0.8
99.00887	1.2
99.04530	2.2
100.12525	0.3
101.02446	26.3
107.01421	0.4
108.02193	0.6
109.02961	28.7
111.00883	6.9
111.04522	0.4
113.02471	2.1
121.02950	0.8
123.00880	2.8
123.04525	0.7
124.01675	1.7
125.02449	2.3
127.04036	2.3
129.01944	85.1
133.02977	0.4
135.00894	1.6
135.04553	3.2
137.02449	1.5
139.04015	0.4
149.02495	0.6
149.06122	0.6
151.00380	5.4
151.04027	2.0
152.01161	11.5
153.01949	48.8
159.03163	0.3
159.04506	1.8
161.02455	1.9
161.04591	0.4
163.03993	0.8
165.01941	0.5
167.03487	1.4
170.30289	0.3
175.04054	0.7
177.01929	0.6
177.04045	4.4
177.05583	6.8
179.03452	2.8
191.03439	0.7
194.02211	4.7
195.03006	47.1
203.03503	0.5
221.04628	2.9
224.03230	0.7
225.04091	2.1
225.32074	0.4
250.33199	0.3
254.04327	4.7
255.05132	38.5
263.05646	6.8
291.07117	1.8
293.06805	0.4
297.06186	3.8
313.05768	0.5
315.07227	2.9
323.07742	5.6
383.09967	7.4
427.08853	100.0
428.09189	1.7
586.88702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.179
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	1.8
74.65713	1.2
83.01384	3.2
83.95586	1.6
89.87526	1.5
90.31219	1.3
93.03480	2.3
95.01372	2.0
96.96006	18.0
107.05028	10.4
109.02956	22.3
111.04543	1.9
113.02486	1.5
117.03482	2.6
119.05002	1.7
121.02943	10.4
122.53020	1.4
123.00858	2.3
123.04533	3.5
124.01620	2.7
125.02438	62.5
133.02968	6.6
135.04532	42.1
137.02444	31.7
139.03987	10.4
145.02974	10.3
147.04503	3.0
149.02443	19.7
150.03200	2.4
151.00360	2.5
151.04021	10.9
153.01898	8.8
159.04529	2.9
161.02448	64.1
163.00381	15.0
163.04021	53.3
164.01160	5.8
165.01920	16.9
167.03474	11.6
173.02437	6.3
173.06085	2.5
174.03172	3.2
175.04005	19.1
177.01947	29.7
177.05557	3.2
179.03510	8.3
183.04543	1.4
187.03979	6.9
189.01952	15.8
189.05525	11.5
190.02573	1.5
191.03513	100.0
195.02985	8.6
199.04018	9.3
201.02011	3.5
203.03519	6.2
205.01447	6.8
205.05185	1.9
207.02963	7.8
211.04033	6.0
213.05617	11.0
215.03505	7.5
217.01437	6.9
217.04987	7.1
219.02977	2.9
219.06616	5.7
221.04469	2.0
225.03999	5.5
229.05003	11.0
231.06610	3.4
235.02455	12.4
241.05048	8.9
243.02977	17.5
245.04575	1.9
247.06180	1.5
253.04988	2.5
255.02921	27.4
255.05048	3.4
256.03662	6.0
257.04498	9.5
267.03079	2.8
269.04507	7.1
273.04001	3.0
279.03094	5.7
281.04474	2.5
283.02457	14.3
283.05667	2.6
285.04065	34.0
288.02667	2.0
297.03964	8.7
299.05594	3.5
305.06836	16.0
307.06302	1.8
309.03915	5.9
311.05878	1.7
333.04224	1.9
362.96796	2.3
373.05853	2.0
375.05078	2.9
403.04486	2.4
411.07355	21.3
415.04565	1.6
423.07367	32.3
427.08997	12.1
437.08829	1.7
455.76874	1.8
467.09674	5.9
479.09714	7.1
541.08655	14.4
559.08759	24.1
583.08832	2.1
585.10541	6.3
647.10571	8.7
709.12134	32.3
727.13135	39.0
935.17120	1.8
953.18109	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	949.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38518	9.9
71.01398	13.6
92.10128	19.8
125.02399	8.9
125.60839	9.2
130.95634	10.3
133.08096	10.2
136.37230	11.5
139.76814	8.9
149.24173	9.8
167.43149	10.1
195.13841	12.2
196.46756	9.4
197.11853	16.2
223.13475	69.7
224.68793	10.0
250.93724	9.7
309.20691	60.7
397.13397	21.6
399.73535	12.5
415.42438	11.7
603.26984	12.1
621.28198	15.8
647.48920	11.4
913.48657	21.5
949.45892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	13.9
71.09037	6.3
89.02459	30.8
103.03069	6.4
116.92860	9.6
129.44510	6.9
189.15462	8.2
191.87042	6.5
209.11908	100.0
210.12256	53.5
211.12447	11.5
277.21747	29.1
278.22079	29.7
320.80334	6.8
397.13385	9.4
398.13828	10.0
411.16876	7.6
431.90942	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	947.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	3.0
71.01389	11.2
78.64170	1.7
85.02986	3.9
89.02451	11.5
92.27486	1.6
101.02446	10.0
103.56048	1.7
111.91174	1.8
113.02505	2.2
119.03493	2.4
125.02406	3.0
125.09721	2.5
151.11237	2.3
153.09230	1.9
153.12811	1.9
161.09685	2.6
171.10257	4.2
174.05992	2.1
179.10782	8.0
185.11856	7.8
197.11864	75.7
209.11845	20.7
210.96062	1.9
221.06641	2.0
241.10849	4.2
289.18158	3.2
307.19388	6.5
309.10455	2.4
929.42633	2.2
947.45148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62038	0.2
68.18174	0.3
69.03465	0.5
71.01376	12.2
72.99310	0.6
73.02951	1.7
80.02678	1.5
80.96602	0.3
81.03459	1.3
83.01383	1.9
83.05020	4.9
84.02182	1.3
85.02946	2.9
87.00871	2.7
89.02441	13.2
93.03539	0.3
95.01402	1.2
95.05013	1.0
97.02969	1.8
99.00882	0.4
101.02441	11.1
103.14178	0.3
111.04547	0.5
113.02455	6.0
113.03165	0.4
119.03492	3.1
125.02453	4.6
125.06060	0.5
131.03500	0.4
133.04984	0.4
135.08167	0.7
138.56197	0.3
139.03981	0.4
143.03505	1.7
149.04584	0.4
161.04587	2.8
161.15950	0.3
163.11288	5.0
165.12865	3.8
165.42715	0.3
167.03535	0.3
179.05585	2.5
181.12289	0.7
191.10803	1.4
209.11861	100.0
210.12196	0.6
217.07114	0.5
221.06653	1.4
227.12920	8.3
235.08253	3.3
247.89288	0.3
253.09264	0.4
259.08121	0.4
260.20544	0.3
263.07791	0.5
277.21756	39.6
278.22220	0.3
287.07651	1.5
305.08759	1.1
323.09894	1.1
379.12491	7.2
397.13547	27.6
415.14511	6.4
589.25140	1.5
607.26202	2.4
675.36005	1.1
830.93958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	3.9
71.27105	0.2
72.99328	0.2
73.02953	1.4
74.23317	0.2
75.00852	0.4
83.01398	0.5
85.02965	1.8
89.02460	2.7
95.01355	0.4
96.96014	2.1
97.02972	0.8
99.35353	0.2
101.02439	3.9
105.03461	0.2
109.02981	1.5
111.00871	0.3
113.02464	2.6
117.03460	0.4
119.03510	1.4
123.04522	0.3
125.01629	0.2
125.02431	1.9
129.01953	1.4
132.02176	0.5
133.02956	23.9
134.03468	1.3
135.04521	16.7
136.04843	1.0
137.02455	0.9
137.09734	0.4
143.03505	0.3
145.02890	0.3
149.06102	1.5
151.03992	0.3
161.02449	100.0
162.02785	5.5
163.02960	0.9
171.11845	0.2
175.04002	1.8
177.05589	3.6
179.03511	19.3
180.03819	0.9
189.05606	0.4
189.12875	2.7
195.05080	0.4
203.03534	11.9
203.05634	2.7
204.03813	0.3
207.06693	0.5
207.13925	1.0
221.04582	4.6
221.06569	0.4
222.04900	0.3
225.14984	1.0
233.04533	1.4
251.05635	1.4
275.09259	0.3
281.06686	4.5
285.03937	0.8
293.04514	0.3
293.10324	0.4
297.04135	1.1
298.04623	0.3
299.05502	0.4
319.02548	1.3
327.05167	1.2
328.05606	0.3
339.05051	0.3
341.08795	22.4
342.09204	1.9
343.09467	0.4
357.06262	1.2
358.06345	0.2
369.18948	0.3
394.13922	0.2
429.21228	3.0
439.12506	27.9
440.12827	1.7
441.13226	0.8
447.09317	1.3
448.09671	0.3
453.10526	0.5
471.15533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.8
85.02972	1.4
108.02209	1.6
109.02970	28.9
111.00933	1.5
113.02481	1.2
121.02946	1.4
124.01679	2.0
125.02461	6.7
129.01982	1.7
133.03001	1.2
134.03731	1.2
135.04489	1.5
137.02487	4.2
138.98779	0.9
139.00305	1.1
147.04462	1.0
149.02470	4.3
151.03975	1.2
152.01183	4.4
153.01953	21.6
159.04498	1.0
161.02438	9.0
163.00377	1.5
164.01160	1.9
165.01933	1.4
168.00679	1.3
175.04047	4.0
177.01932	1.9
178.02719	1.4
179.03485	1.6
180.11745	1.0
185.02432	12.5
186.03230	3.9
187.03879	1.0
193.06688	1.7
195.03033	14.3
207.04601	1.1
209.06219	1.6
213.05583	1.5
219.04578	4.9
221.06166	5.5
235.04102	7.4
237.05600	11.3
239.07310	1.6
247.04013	7.4
248.04808	2.0
249.05602	7.8
251.03603	4.5
252.04373	1.5
253.04962	1.8
255.05107	2.3
261.47394	1.1
263.03543	17.4
264.04272	6.4
265.05020	13.1
266.05804	1.4
267.06714	6.6
269.04523	1.6
275.03461	6.5
276.04257	5.5
277.05142	5.0
279.03009	22.9
280.03790	6.6
283.06253	2.2
291.03113	9.5
291.06012	1.2
292.03796	5.8
293.04633	57.1
295.06180	12.9
307.05972	1.4
311.05600	9.7
319.02518	100.0
320.03024	1.6
321.04086	11.2
323.05609	1.1
337.03629	19.0
339.05115	15.6
351.05280	1.9
353.06732	1.5
379.04785	9.1
381.05966	1.2
403.07904	1.5
462.09140	1.1
523.09174	4.2
557.43646	1.0
575.08728	7.2
609.12854	4.1
635.10406	10.6
653.12122	1.3
667.13110	16.7
667.99231	1.1
733.14185	8.5
765.16705	2.4
770.87268	1.2
829.57080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.9
72.26495	0.4
84.27467	0.4
85.02957	2.9
87.00887	2.2
89.02425	0.5
93.03429	0.5
96.95926	0.4
101.02444	6.1
109.02959	12.2
111.00877	1.6
111.54892	0.4
113.02455	2.8
121.02921	0.8
123.04526	1.8
125.02436	2.4
129.01050	0.8
129.01939	12.6
133.02960	3.8
135.04556	3.6
137.02475	0.5
147.04533	0.6
149.02432	1.5
150.03242	0.7
150.67009	0.4
150.71370	0.4
151.00444	1.8
151.04030	0.8
152.01115	1.6
153.01944	8.9
158.17378	0.5
159.04541	0.6
161.02443	14.6
162.02837	0.7
163.04128	0.5
165.01971	0.5
165.05624	0.8
167.03516	1.6
169.01479	0.6
173.02390	0.8
174.03339	0.5
175.00394	0.9
175.03972	1.6
177.01846	0.5
177.05527	1.0
179.03514	2.3
179.04918	0.6
185.02440	2.8
186.03267	0.6
186.26468	0.4
191.03432	0.5
191.05061	1.7
193.01361	0.7
193.06589	0.8
195.02982	3.9
197.06046	0.9
201.01988	0.7
203.03546	0.6
207.04572	1.9
208.05266	0.6
209.06126	0.9
211.03841	0.5
213.05737	0.5
219.04550	3.7
221.06108	1.9
223.04044	0.9
224.04695	0.4
225.05656	1.6
235.04070	8.1
236.04745	1.0
237.05634	5.9
241.04941	0.7
243.03123	0.5
247.04034	6.6
248.04800	2.7
249.05650	3.5
250.02756	0.7
251.03503	2.7
252.04530	0.5
253.05112	1.6
255.05150	2.0
263.03497	18.2
263.06201	0.9
264.04266	5.1
265.05099	9.5
266.05801	0.7
267.06631	2.6
269.04581	2.3
270.40027	0.4
275.03494	4.8
276.04370	4.4
277.05075	2.1
279.03024	9.2
280.03830	3.3
281.04489	0.7
291.03000	10.7
291.05978	0.6
292.03809	4.9
293.04578	39.4
294.04977	1.8
295.02493	1.7
295.06250	0.8
297.03961	10.7
297.06906	0.5
311.05673	2.6
319.02515	100.0
320.02835	1.9
321.04025	4.4
323.07947	1.7
336.99731	0.7
337.03552	8.0
339.05255	0.9
341.09000	0.5
361.07288	0.6
363.10818	0.6
374.61502	0.4
378.07791	0.5
379.04709	2.1
402.50540	0.5
411.09552	1.4
455.12183	0.7
457.13626	1.6
481.07803	2.2
567.11823	0.6
611.10706	0.8
617.09601	2.6
635.09320	0.7
707.06921	0.5
721.14136	2.7
739.15735	1.5
747.12128	12.5
765.13104	4.0
771.23328	0.4
807.14081	0.8
867.16254	0.6
867.33868	0.5
927.18451	1.8
945.20013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03495	0.9
71.01382	22.3
72.99319	2.9
73.02947	3.7
73.87363	0.6
78.95914	0.9
81.03464	2.9
83.01406	3.7
83.05032	3.1
84.02196	0.7
85.02940	6.9
87.00883	5.5
89.02439	20.8
92.10159	1.4
95.01383	3.6
97.02939	11.8
97.23212	0.7
99.00886	3.2
101.02441	19.6
109.03032	0.9
109.06599	29.0
109.07352	1.2
110.03770	1.4
111.00963	0.9
113.02458	10.6
119.03506	5.7
121.06603	1.5
123.04529	1.1
125.02454	7.9
135.08157	4.3
136.05273	1.3
141.01953	1.2
142.02744	3.7
143.03540	1.7
145.10210	0.8
161.04558	3.8
161.09705	1.2
163.11304	18.8
179.05585	3.6
179.10727	0.9
181.12413	5.4
189.09325	1.2
190.69377	0.8
207.10292	100.0
209.11841	1.5
215.62904	0.7
221.06697	1.7
225.11346	36.0
235.08316	5.5
238.50453	0.8
243.12172	0.8
267.05746	0.8
277.21759	66.4
278.22141	0.8
281.13959	0.9
287.07910	0.9
299.14951	1.0
305.08783	1.0
310.72134	0.7
323.10110	0.8
326.82477	0.8
379.12439	5.6
381.39255	0.8
397.13611	39.5
415.14584	9.8
537.78473	0.9
605.24518	5.2
623.25708	3.7
675.36420	2.9
752.48816	0.8
865.45862	1.4
883.47089	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62263	0.5
69.03467	0.6
71.01375	16.6
72.99315	1.0
73.02950	3.3
78.95921	0.7
81.03467	2.9
83.01382	2.1
83.05039	3.2
85.02947	4.7
87.00867	4.9
89.02442	17.9
93.30992	0.5
95.01393	2.3
96.95986	0.5
97.02942	10.7
99.00881	2.2
101.02442	15.9
109.06597	30.6
110.03729	0.9
113.02464	6.7
119.03504	2.8
121.06599	2.1
123.04530	0.8
125.02412	4.8
125.09761	0.7
135.08202	3.8
135.24944	0.7
136.05269	2.8
142.02731	3.7
143.03490	2.3
161.04559	2.6
161.09720	0.9
163.11285	21.2
165.27440	0.6
179.05612	4.3
179.10696	0.9
181.12350	6.1
189.09193	2.5
207.10286	100.0
208.10738	0.9
209.11812	3.3
221.06737	2.9
221.11731	0.9
225.11354	51.6
235.08334	4.0
243.12354	2.2
277.21738	46.2
278.22281	0.6
281.13879	1.0
287.07813	0.7
299.15036	0.6
305.08774	1.0
323.09628	1.1
379.12686	5.7
397.08322	0.9
397.13550	29.4
415.14688	9.0
429.68008	0.8
548.07050	0.6
587.23376	2.6
605.24640	7.5
623.25641	9.0
675.35907	1.1
842.91254	0.7
865.46167	1.1
883.47058	59.2
884.47009	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	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26390	0.8
69.03465	4.5
71.01379	20.6
72.99319	1.1
73.02956	2.0
75.00877	0.9
83.01384	1.6
84.85981	1.1
85.02967	5.1
87.00875	6.2
89.02438	23.6
92.10802	2.9
95.01408	1.1
97.02946	4.4
101.02437	18.1
105.21436	1.4
109.02975	1.1
113.02455	13.8
116.92854	2.5
119.03477	5.0
125.02431	7.9
136.66158	1.0
143.03528	2.5
161.04579	4.2
166.53629	1.2
167.10786	2.6
179.05603	5.7
179.14374	5.4
195.13921	14.9
205.12318	15.5
211.59773	1.1
221.06650	1.4
223.13417	100.0
226.36891	1.1
235.08153	5.2
255.23070	1.2
277.21747	63.5
305.08881	1.3
379.12659	8.7
397.13565	39.8
415.14853	7.7
477.67834	1.3
603.26788	13.3
621.27838	13.8
663.15564	1.3
689.66040	1.3
881.49268	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	941.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	4.3
71.01382	29.2
72.99321	1.5
73.02953	6.1
83.01408	2.4
85.02968	6.6
85.46886	1.1
87.00885	5.9
89.02439	28.0
89.02939	1.6
93.03486	1.6
95.01381	1.9
97.02927	7.1
99.00898	1.4
101.02442	27.1
113.02480	11.7
119.03480	6.2
125.02440	6.5
131.03522	1.2
143.03560	2.4
161.04590	2.0
167.10767	4.6
172.53519	1.0
178.24146	1.1
179.05647	4.5
179.10909	1.2
179.14420	1.9
195.13893	12.8
197.46086	1.1
205.00136	1.1
205.12361	12.5
221.06538	1.4
223.13428	100.0
225.98177	1.1
231.26147	1.0
235.08264	6.5
245.18756	1.0
254.01312	1.1
277.21762	99.2
278.21921	1.3
287.07568	3.6
323.09680	1.6
379.12546	11.1
397.13565	62.2
415.14636	12.5
499.64941	1.2
551.86407	1.1
603.27063	9.7
621.27740	9.9
657.34912	1.8
675.36078	4.5
768.61829	1.2
881.48822	7.0
886.27545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26399	0.8
69.03493	0.8
72.53095	0.8
72.99328	3.7
73.26756	0.8
75.75421	0.8
81.03459	1.3
83.01372	7.0
89.03964	1.2
92.10130	1.6
93.03488	4.0
95.01418	2.1
95.05050	1.5
97.02962	3.9
103.34592	0.9
105.03451	1.2
107.05013	8.8
107.95730	0.9
108.02166	1.0
109.02946	22.9
111.65507	0.9
117.03446	6.5
119.05048	1.9
121.02914	10.0
123.04511	16.3
125.02441	52.5
133.02113	0.9
133.02951	8.7
135.04529	43.2
137.02434	29.7
139.04025	2.0
145.02969	10.6
146.03822	1.8
147.04523	5.9
148.01698	1.0
149.02452	24.4
150.03192	1.9
151.03993	19.3
159.04527	5.8
161.02437	69.6
161.06129	4.7
162.03104	2.3
163.00368	19.3
163.04012	48.4
163.05383	1.9
164.01157	6.0
165.01947	7.1
171.04556	1.3
173.02400	8.8
174.03267	5.0
175.03989	20.1
176.01190	2.0
177.01909	20.0
177.05594	2.1
179.03581	7.2
183.04564	1.9
185.06128	1.8
187.04001	10.1
188.04698	1.8
189.01965	13.8
189.05539	15.1
190.02690	3.8
191.03508	100.0
192.03792	1.2
196.05284	1.0
199.03983	8.6
201.01970	5.6
201.05655	3.5
202.99863	1.3
203.03525	3.7
203.07135	6.6
205.01338	1.8
205.05072	6.1
207.03001	8.9
211.04010	4.7
212.04791	1.8
213.02055	1.0
213.05611	11.1
214.02608	1.5
215.03488	8.3
217.01495	7.2
217.05013	7.2
219.03024	4.3
221.06116	1.3
225.03897	10.1
227.03511	6.9
227.07010	1.3
228.04300	2.2
229.05054	5.6
230.05589	1.1
231.02945	1.6
231.06581	3.6
235.02441	14.5
237.05598	1.4
239.03458	1.5
240.04254	1.8
241.05202	6.7
242.02202	1.0
243.02982	10.8
245.04590	1.5
245.08228	8.5
246.01659	2.2
248.20830	1.0
253.05109	4.1
255.02979	26.4
255.06668	4.9
255.57613	1.0
256.03687	8.1
257.04608	9.1
267.02930	4.5
268.03781	1.6
269.04489	4.1
271.06253	1.2
273.04071	5.4
279.03012	3.8
281.04630	7.6
283.02490	6.7
283.06158	3.7
284.03189	3.9
285.04031	38.5
289.04843	1.0
289.07275	16.8
293.04544	1.9
295.02435	3.5
297.04025	4.4
299.05655	6.0
307.06015	3.8
309.04105	5.9
311.05606	2.1
327.05035	2.0
333.03772	1.2
339.08661	1.8
363.08780	1.4
373.03879	1.5
374.81787	1.3
375.05017	3.7
389.06915	1.9
405.06174	1.1
407.07733	28.9
410.05786	1.1
411.07263	26.5
412.07394	1.6
415.04764	1.5
423.07104	5.6
425.08731	6.1
437.08841	1.3
459.07016	1.1
461.08862	2.1
463.10745	6.7
481.11362	1.5
507.09897	1.5
525.10358	13.4
541.07587	6.8
559.08942	29.3
573.10248	1.9
585.10565	8.5
629.09540	1.9
647.10492	6.5
651.13409	1.3
693.12695	16.0
694.12921	1.1
711.13672	32.4
712.14813	1.4
919.16315	1.1
937.19214	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	937.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01925	1.3
72.99345	1.4
73.02952	1.3
73.96137	1.5
83.01385	3.5
93.03445	1.7
97.02953	2.9
107.05036	9.9
109.02946	25.8
111.67307	1.5
113.02473	1.9
117.03490	3.6
121.02967	10.3
123.04543	11.3
125.02437	58.2
129.48392	1.6
133.02951	14.3
135.04538	41.2
137.02451	32.1
139.03995	3.1
145.02972	11.4
147.04515	5.9
149.02446	23.8
151.04027	22.0
153.01967	3.6
159.04535	3.3
161.02449	70.1
161.06114	3.6
162.03072	3.7
163.00366	21.2
163.04010	50.9
164.01131	6.5
165.01892	9.6
167.03456	12.3
171.04622	1.9
173.02420	6.4
173.06084	2.7
174.03230	3.1
175.03966	17.7
176.01103	3.0
177.01952	21.6
179.03517	3.6
185.06082	2.2
187.04007	9.7
189.01938	18.3
189.05571	12.9
190.02605	2.9
191.03517	100.0
191.05287	3.4
195.02986	6.9
199.04007	8.0
201.01939	2.4
203.03522	2.5
203.07080	3.5
205.01442	2.1
205.05063	9.5
207.02972	3.6
211.03990	3.3
212.04784	1.7
213.05594	10.4
214.02750	2.3
215.03513	10.4
216.04176	1.6
217.01460	9.7
217.05110	10.0
219.02985	2.6
223.04051	1.9
225.04059	8.7
227.03535	3.6
228.04315	2.8
229.05054	7.4
231.03035	3.4
231.06602	3.5
235.02435	13.0
235.16220	1.8
239.03455	2.8
241.04933	2.7
242.02165	1.6
243.03040	8.8
243.06664	2.0
245.08176	6.1
255.02959	25.2
255.05115	4.5
256.03687	6.6
257.04453	11.5
265.05060	1.8
267.02933	1.9
269.04529	6.7
273.04025	2.5
279.03030	1.9
281.04541	6.2
282.01807	2.1
283.02493	3.6
283.06152	2.4
284.03235	3.2
285.04099	34.9
288.02774	3.3
289.07336	14.6
293.04642	2.4
295.02536	2.1
297.03915	2.9
299.05557	7.3
307.06189	3.7
309.04306	2.1
319.05963	2.0
327.05209	2.1
359.05630	2.1
375.05066	3.0
389.06427	1.9
405.05838	2.0
407.07852	26.9
408.08276	2.2
411.07245	24.0
423.07416	6.5
425.08896	2.7
437.09277	1.9
451.10635	3.1
463.10394	10.5
489.16354	1.8
507.09412	1.9
525.10248	10.8
541.07776	10.2
559.09009	26.4
573.10577	3.3
585.10388	11.8
647.10187	7.4
693.12604	16.7
711.13654	33.6
875.18555	2.9
937.17755	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	935.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	23.4
80.96542	24.7
88.43089	20.2
92.10038	55.0
93.14177	18.3
127.63727	22.6
133.21066	20.9
149.64265	22.8
179.25940	22.0
207.10254	50.3
225.11320	35.7
293.21207	97.2
362.10391	24.6
397.13800	32.9
449.06998	22.0
605.25488	24.1
899.46906	40.0
935.44061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.472
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	11.0
73.02968	2.3
81.03471	1.7
83.05048	7.1
84.41067	1.3
85.02977	7.5
87.00913	2.5
89.02464	14.6
89.17742	1.8
101.02461	10.6
103.83258	1.8
113.02463	4.0
119.03535	2.3
125.02463	3.8
125.09718	1.8
127.07679	1.9
135.08176	2.2
150.28700	1.8
153.09261	5.7
163.11322	7.0
171.10313	11.4
179.05659	2.4
185.11824	1.7
191.10780	2.5
197.11885	3.5
209.11858	100.0
227.12918	6.9
258.82581	1.7
280.37970	1.9
289.18137	8.5
307.19183	33.7
325.20337	13.9
327.21786	1.9
397.13651	13.3
415.14548	6.5
705.33649	6.8
879.16345	1.8
897.44128	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	931.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	4.4
71.01376	20.7
73.02991	2.8
85.02978	13.2
86.78729	2.7
87.00910	2.2
89.02457	22.6
89.09277	2.5
95.05040	2.4
97.06609	3.3
101.02444	21.2
113.02463	8.6
119.03522	3.1
125.02415	8.1
125.47745	2.5
132.81360	2.3
137.02522	2.8
137.09589	2.2
153.02042	3.1
159.92937	2.9
161.04594	4.1
171.10242	21.6
195.13890	5.2
197.11877	11.0
205.12341	3.0
206.27612	2.4
209.11845	9.2
211.13416	22.2
221.11871	2.5
223.13390	42.1
229.14394	10.8
289.18228	2.6
291.19714	4.6
309.20718	10.6
327.21768	100.0
345.27267	2.4
397.13501	26.0
415.14658	13.1
465.59271	2.6
513.57135	2.7
563.97668	2.8
621.27771	14.6
707.35114	3.6
725.35699	3.1
740.33240	2.6
931.45825	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	931.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.3
76.56464	0.5
83.01395	0.8
85.02948	0.7
87.00888	1.0
95.01421	0.9
101.02431	0.5
108.02142	0.9
109.02950	27.2
111.00908	0.7
113.02445	2.2
119.61593	0.5
121.02953	0.9
123.04541	2.1
125.02448	3.9
133.02992	3.5
135.04529	3.0
137.02440	1.3
145.02972	1.3
146.77606	0.7
147.04518	0.6
149.02458	5.6
151.00403	1.2
151.03984	0.7
152.01154	4.1
153.01939	19.9
153.03131	1.1
156.61180	0.5
159.04501	1.1
161.02448	14.0
162.02774	2.2
165.01982	0.7
167.03401	0.8
169.01376	3.9
173.02467	2.2
175.03987	3.0
177.01889	1.0
179.03479	1.3
185.02438	6.8
186.03232	1.2
187.03932	0.6
193.01476	2.1
193.06621	1.0
195.02992	11.8
195.04660	0.9
197.06100	0.9
209.06152	0.8
219.04520	3.9
220.05345	0.5
221.06201	4.2
223.04094	0.9
225.05638	2.1
227.03362	0.8
229.05048	0.9
232.05226	0.7
235.04131	7.4
236.04735	1.1
237.05643	9.1
239.07178	1.1
241.05151	0.7
247.03952	7.2
248.04765	4.2
249.05553	5.6
250.02734	0.8
250.06367	0.6
251.03564	3.8
252.04152	1.0
253.05090	3.1
255.05116	2.8
263.03497	18.3
264.04282	6.3
265.05075	14.2
266.05750	2.3
267.06546	5.1
269.04559	2.5
271.02487	0.7
275.03604	5.0
276.04239	7.3
277.05154	4.8
279.02966	11.2
280.03793	6.1
281.04517	1.3
291.03064	10.7
292.03683	6.1
293.04590	50.1
294.05161	0.7
295.02664	0.8
295.06195	8.7
297.03967	18.2
297.06931	0.8
303.03024	1.1
307.06064	0.6
309.04190	0.7
311.05600	4.5
318.02063	0.8
319.02502	100.0
320.02963	2.6
321.04025	6.5
335.05875	1.2
337.03549	19.3
339.05103	12.2
351.05069	2.0
353.06647	0.9
379.04669	9.4
381.06012	0.9
437.10693	0.7
439.06448	0.9
455.12305	0.8
499.09018	0.9
549.10785	0.9
575.08447	7.1
609.12952	3.9
635.10553	12.1
653.11707	7.0
695.13409	0.8
707.16248	0.8
733.14331	9.1
751.15344	2.6
755.14087	1.0
815.16357	1.2
913.19995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	5.3
72.99306	0.9
73.02969	0.6
75.00867	12.7
81.03474	0.6
83.01396	2.1
83.05006	0.5
85.02946	11.5
85.37278	0.4
87.00895	4.0
89.02437	3.9
95.01340	0.4
97.02945	0.6
99.00870	5.0
99.04514	2.1
101.02439	25.2
102.02788	0.9
109.02941	2.0
111.00888	5.7
113.02473	2.9
117.03454	0.8
119.03500	0.7
119.06823	0.4
125.02427	0.7
127.04007	2.2
129.01938	100.0
130.02254	3.9
131.02380	0.6
132.02133	0.5
133.02954	24.5
134.03664	2.1
135.04524	19.7
136.04823	0.6
137.02466	0.6
139.04056	0.6
149.06087	2.9
159.02992	4.6
159.04373	0.7
161.02448	77.0
162.02800	5.1
163.02885	0.7
173.06006	0.7
175.03917	0.5
175.07532	0.5
177.01892	0.5
177.04065	0.8
177.05511	6.3
179.03506	16.2
180.03908	1.8
185.06154	0.5
187.04070	0.9
187.07683	6.8
188.08000	0.6
195.05107	38.7
196.05452	4.6
197.05574	2.6
201.05545	0.5
203.03545	0.6
203.07138	5.9
214.09416	0.4
215.07263	0.5
220.03667	0.7
221.04582	7.8
222.04843	0.5
229.05045	0.9
231.10310	2.6
243.65010	0.4
247.06140	0.7
251.05704	2.1
257.08133	2.2
258.08441	0.5
275.09293	2.3
280.05869	1.9
281.06693	6.8
289.07181	1.8
291.07245	3.8
310.24460	0.4
323.07776	2.0
341.08878	6.3
349.09338	0.5
390.07501	0.4
409.11487	3.2
453.10321	60.1
454.10370	5.2
455.10745	4.9
542.26501	0.6
779.96338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.0
69.20975	0.2
71.01376	4.8
71.05022	0.5
71.24773	0.2
72.99321	0.5
73.02951	0.5
75.00868	3.4
81.03445	3.2
83.01381	2.5
83.05031	0.9
84.67961	0.2
85.02945	16.1
87.00888	1.3
89.02426	3.0
92.10134	0.8
95.05063	0.2
97.02936	1.6
99.00864	1.9
99.04504	4.5
101.02434	13.0
101.03094	0.4
105.03442	0.5
105.81618	0.2
108.02196	0.2
109.02962	2.0
111.00874	9.4
111.04506	0.4
113.02444	3.9
117.03465	1.1
119.03490	1.4
121.02946	0.5
123.04533	0.9
125.02471	0.5
127.04006	5.1
129.01935	44.4
132.02168	1.6
133.02948	33.9
134.03757	3.8
134.70303	0.2
135.04518	26.5
137.02444	1.9
139.04025	1.4
145.02977	0.3
146.03761	0.9
147.04539	1.1
148.05298	1.4
149.06078	4.2
151.04088	0.4
153.01907	0.3
159.02975	1.1
159.04453	0.9
160.05321	0.2
161.02440	100.0
162.02812	1.4
163.04037	0.8
167.03531	0.3
171.03021	0.4
172.05257	0.2
173.06055	1.2
174.06747	0.3
175.03983	0.9
175.07559	0.7
177.01964	0.4
177.04085	1.1
177.05548	9.9
178.02699	1.0
179.03494	27.3
185.06030	1.3
187.03979	0.8
187.07588	1.7
189.05531	0.5
195.05106	7.7
201.05550	1.3
202.06261	0.9
203.03534	1.7
203.07170	7.5
213.09264	1.2
215.07047	0.3
220.03741	1.4
221.04564	11.9
229.05042	1.8
229.08766	0.3
231.10245	2.5
243.06514	0.3
245.04538	0.3
245.08217	0.5
247.06128	2.1
250.04700	0.3
251.05621	6.5
257.08292	1.7
273.03897	1.8
275.09247	4.9
280.06036	1.6
281.06686	13.9
289.07184	2.6
291.07257	6.5
303.09845	0.3
319.08304	1.0
323.07794	3.1
341.08798	11.5
342.08951	0.3
349.09497	2.1
409.11615	2.6
439.12320	0.9
453.10352	58.0
454.10721	1.3
549.70471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00018	5.0
76.57613	4.7
81.54874	4.8
85.02966	9.8
87.97375	4.2
101.02438	43.0
109.02988	18.0
121.02976	8.1
129.01944	100.0
133.02974	11.0
135.04607	7.4
146.24657	4.6
149.02473	8.2
156.08777	5.1
161.02525	7.2
171.65955	4.3
178.99825	6.5
193.01428	9.3
222.64801	4.8
241.05049	20.8
263.03604	10.8
264.04019	6.2
265.05151	8.1
269.04645	7.6
291.03012	8.3
315.06509	7.7
327.06619	19.3
343.06161	8.2
345.04199	5.3
355.06409	7.9
371.06174	8.8
373.07095	34.1
383.05731	9.7
399.04965	45.0
401.06622	19.7
427.04877	42.2
445.05713	28.0
487.06927	8.9
589.10083	18.4
623.76843	5.2
645.59552	6.7
719.13202	26.1
736.06128	5.5
745.11108	6.6
763.11566	33.5
770.58112	5.7
771.63812	6.0
805.13000	11.8
957.67236	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	925.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34416	0.3
67.01865	0.4
68.99826	0.4
69.03448	0.7
71.01373	8.7
72.99311	1.6
73.02941	1.4
75.00867	30.5
81.03455	1.3
83.01395	2.2
85.02945	11.8
87.00858	6.2
89.02446	4.1
90.45885	0.3
97.02942	0.7
99.00871	10.4
99.04523	2.2
101.02435	22.6
105.03489	0.5
109.02966	1.6
111.00878	6.3
113.02469	1.7
117.03468	0.5
121.02946	0.4
127.04005	1.9
129.01936	98.7
132.02142	0.6
133.02953	23.7
134.03726	1.6
135.04518	16.5
137.02452	0.7
139.04025	0.6
141.01953	0.4
145.02960	0.4
149.06104	2.3
150.03285	0.4
159.03000	12.6
159.04356	0.7
161.02444	69.4
162.02769	0.8
163.03969	0.5
172.05281	2.3
173.06047	1.9
175.04012	0.6
177.04056	2.2
177.05563	5.4
178.02634	0.8
179.02039	0.7
179.03505	15.7
180.03720	0.3
185.05991	0.6
187.04044	0.7
187.07648	17.0
195.05107	100.0
199.04030	0.5
201.05624	2.5
202.06384	3.9
203.03601	0.6
203.07164	5.5
203.10855	0.4
213.09238	2.6
215.07120	2.0
216.08015	0.3
220.03693	0.6
221.04579	6.6
228.04233	0.5
229.05067	0.7
229.08662	1.8
231.10284	6.9
245.04692	0.4
245.07793	0.3
247.06134	1.3
251.05574	2.3
257.08200	6.7
273.04105	0.7
275.09302	6.7
280.05945	0.6
281.06671	7.4
287.06247	0.3
289.07294	1.9
291.07211	3.9
313.04196	0.3
321.69986	0.3
323.07672	1.7
324.03723	0.3
341.08789	6.1
349.09299	0.8
409.11215	2.3
439.12415	0.5
451.09299	0.4
453.10010	49.6
454.10599	0.5
459.48166	0.3
603.60425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.32
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28994	0.1
65.00333	0.2
77.03955	0.2
79.01910	0.3
81.03507	0.2
83.01418	0.2
83.41534	0.1
93.03458	0.2
95.01400	0.2
97.02959	0.6
105.03443	0.2
107.01404	0.7
109.02958	2.3
113.02453	0.3
118.38714	0.1
119.04990	1.0
121.02940	1.6
123.00909	0.2
123.04487	0.2
125.02447	1.2
133.02945	13.9
134.03667	0.3
135.04552	1.5
137.02481	0.5
145.02945	0.2
147.04523	1.6
148.01660	0.6
149.02455	2.3
151.00356	0.7
151.04050	0.7
153.01970	0.3
161.02440	1.7
163.00381	2.2
163.04019	3.9
164.01103	0.2
165.01956	2.3
171.04651	0.1
173.02446	0.7
175.00394	0.2
175.04019	4.2
177.01985	0.8
179.03548	0.5
179.48589	0.1
181.06563	0.1
185.06009	0.2
187.04033	0.2
189.01941	0.5
191.03517	2.6
193.01424	2.1
197.06038	0.2
198.03293	0.2
199.03993	1.8
200.04752	0.2
201.01973	2.0
203.03503	0.6
209.06126	0.2
211.04034	0.3
211.07709	0.3
212.04810	0.5
213.05589	1.4
214.02795	0.2
215.03529	0.8
217.04997	0.5
224.04681	0.1
225.05553	0.8
227.03516	0.6
227.07141	0.7
229.01402	0.2
229.04958	0.5
231.06606	0.7
233.04523	0.2
237.05608	0.3
239.03506	0.1
239.07101	0.2
240.04103	0.9
241.05025	1.1
242.02275	0.2
243.02994	0.3
243.06575	0.2
251.03349	0.2
253.05121	1.0
255.02969	1.1
255.06709	1.3
256.03662	0.5
257.04514	0.7
259.06119	0.3
267.03036	0.2
267.06750	0.5
269.04639	1.3
271.06137	0.8
279.02866	0.3
281.04477	0.7
283.02567	0.2
283.06204	0.2
284.03253	11.1
285.04044	8.4
286.04291	0.2
297.04056	19.0
298.04816	11.9
298.08276	0.3
299.05618	23.4
300.05914	0.5
309.04095	1.0
311.05634	3.9
323.05542	0.1
324.02762	0.7
325.03397	1.1
327.05133	100.0
328.05493	2.5
329.05624	0.6
337.03378	0.2
339.05139	3.1
341.06720	1.0
349.07239	0.2
357.06189	23.7
358.06586	0.7
369.06204	2.1
393.06177	0.9
411.07275	0.2
416.74133	0.1
431.22696	0.2
447.09366	73.1
448.09689	1.9
449.10156	0.5
683.06848	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.1
71.01376	12.4
73.02944	2.1
81.03440	1.6
83.01405	1.8
83.05066	1.2
85.02953	2.7
87.00904	5.0
89.02432	16.3
95.01377	1.2
97.02949	8.6
99.00892	4.5
99.92589	6.7
101.02435	18.9
109.06591	28.8
110.03689	1.1
113.02445	7.3
116.92850	67.6
116.97197	1.0
117.92863	1.3
119.03504	1.9
125.02457	4.6
125.09705	1.1
131.85626	1.1
135.08191	5.4
136.05327	1.3
157.61993	1.0
161.04541	2.1
161.09662	1.8
163.11299	17.7
179.05682	1.1
181.12344	6.1
207.10283	100.0
221.06635	2.2
225.11334	56.6
235.08226	2.1
243.12451	4.2
255.20573	2.0
255.23306	57.1
299.14828	1.8
379.12344	6.0
397.13544	22.3
415.14474	7.9
527.61407	1.3
605.24506	7.2
623.26025	6.8
861.48596	58.9
862.49017	1.3
921.50763	1.7
955.78900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	10.7
77.75583	1.9
80.96492	1.9
82.95415	11.2
83.05043	2.5
89.02450	13.2
96.50027	2.3
101.02426	9.1
104.02959	2.0
113.02487	4.9
143.81332	2.4
163.11281	2.7
179.05606	2.8
186.99792	2.2
209.11850	100.0
213.73216	2.0
227.12894	16.3
231.77032	2.5
235.08252	2.3
277.21753	38.5
305.08615	2.3
307.29095	1.9
379.12643	14.1
389.56488	2.3
397.13550	54.7
415.14624	11.6
422.99771	2.5
514.18536	2.0
589.24902	4.5
607.26318	8.7
675.36554	3.5
921.46027	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41124	0.4
71.01360	0.6
83.01392	0.6
93.03479	1.5
97.02979	0.9
107.05007	0.7
109.02963	4.1
117.03426	0.6
119.05022	0.7
121.02956	1.8
123.04546	0.9
125.02417	6.0
133.02945	15.4
134.03770	0.7
135.04501	6.4
137.02444	3.7
145.02922	1.6
147.04565	0.8
149.02432	4.9
151.00348	0.9
151.04005	1.8
155.95763	0.4
161.02448	14.9
161.06033	0.5
162.02911	0.9
163.00374	4.3
163.03999	7.7
164.01035	0.5
165.01892	3.1
167.03447	1.7
173.02348	0.6
174.03317	0.5
175.03996	6.0
177.01935	3.6
179.03467	1.7
187.03941	0.6
189.01866	0.7
189.05582	1.9
189.99080	0.6
191.01933	0.5
191.03540	10.0
191.05263	0.7
193.01439	1.5
197.06158	0.8
199.04028	3.1
199.07649	0.4
201.01920	2.3
203.03539	1.8
205.01442	0.7
205.05026	0.7
211.04031	1.7
213.05606	2.2
215.03537	0.6
225.05682	0.7
227.03548	1.5
227.07182	0.6
229.05026	0.6
229.58850	0.5
231.06673	0.8
235.02597	0.7
239.03595	0.6
240.04376	0.8
241.05130	2.8
243.02888	0.7
245.08099	1.0
251.03516	0.5
253.05054	2.8
255.03003	3.5
255.06798	0.6
256.03787	1.4
257.04480	1.7
269.04620	5.3
270.05182	0.8
281.04486	0.7
283.06018	0.6
284.03296	9.6
285.04050	22.8
286.04315	4.2
287.04971	0.7
289.07236	1.8
293.04395	0.6
297.04062	30.7
298.04785	25.5
298.08240	0.6
299.05548	19.5
300.05835	3.8
301.06171	0.7
309.04306	0.5
309.18558	0.4
311.05649	7.7
312.06158	1.0
324.02679	2.4
325.03522	2.3
327.05133	75.9
328.05444	13.4
329.05661	5.6
337.07178	0.6
339.05176	9.6
340.05481	1.5
341.06512	3.0
357.06201	63.4
358.06592	9.7
359.06644	6.0
369.06186	3.0
381.06281	0.6
387.07181	0.9
395.07797	4.0
399.07663	0.6
407.07828	3.0
411.07361	0.7
429.08206	4.7
430.08829	0.7
431.08606	0.7
437.73535	0.5
447.09387	100.0
448.09705	18.0
448.15778	0.8
449.09995	12.3
525.09430	1.8
543.09418	1.7
569.11053	1.8
598.66681	0.5
631.11322	0.5
677.13037	3.7
695.14160	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	921.305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.5
72.99315	0.5
75.18677	0.4
81.03472	0.5
83.01379	0.5
87.76145	0.4
93.03452	0.5
97.02998	0.8
101.80461	0.4
107.01370	0.6
107.05024	0.5
109.02328	0.5
109.02929	3.9
117.03497	0.8
121.02965	2.3
123.04521	2.7
125.02428	7.8
133.02937	15.3
133.03882	0.8
134.03345	0.7
135.04521	6.8
137.02406	3.9
145.02934	1.8
147.04555	0.8
149.02464	4.1
151.00414	0.9
151.04008	2.5
161.02451	13.9
162.02713	1.4
163.00398	4.3
163.04018	8.8
164.01013	0.6
165.01936	3.0
167.03506	1.0
173.02464	0.6
173.06041	0.5
174.03111	0.6
175.04008	5.4
176.01109	0.7
176.04355	0.7
177.01949	3.3
177.05530	0.5
179.03473	1.9
187.04030	1.8
189.01942	1.8
189.05605	0.6
191.03520	10.6
191.05220	0.8
193.01430	1.8
195.05084	0.6
197.06071	0.7
199.04005	3.0
201.01974	2.0
203.03545	2.0
203.07167	0.8
207.03165	0.5
211.03955	0.6
213.05574	2.3
217.05002	0.5
224.04761	0.4
225.05678	1.7
227.03416	0.8
227.07219	0.6
231.06593	0.9
235.02396	1.1
240.04265	0.7
241.05092	3.1
243.02994	2.0
253.05043	2.6
255.02982	4.3
255.06703	0.8
256.03763	0.9
257.04578	0.7
267.06549	1.0
269.04572	5.6
269.07208	0.7
271.06250	0.6
281.04526	0.8
284.03271	9.8
285.04044	23.1
286.04309	3.8
287.04807	0.9
289.07135	1.8
297.04068	28.7
298.04776	24.8
299.05515	19.7
300.05811	4.5
301.06348	1.0
309.04178	1.7
311.05670	6.6
312.05853	0.9
324.02652	0.9
325.03476	2.1
327.05139	79.3
328.05469	13.6
329.05765	6.3
330.03793	0.7
339.05127	8.4
340.05417	1.1
341.06332	2.4
342.07397	0.5
357.06198	60.6
358.06516	11.7
359.06699	6.5
369.06204	3.3
385.09030	0.7
387.07050	0.7
395.07782	4.2
399.07330	0.6
407.07706	1.1
411.07358	0.9
429.08322	5.2
430.08963	0.6
431.08456	0.7
439.12622	0.7
447.09393	100.0
448.09747	20.1
449.10034	14.6
525.09314	2.8
543.09442	2.9
569.11255	1.7
594.97729	0.4
677.13147	2.7
695.13562	3.7
921.19446	0.9
953.97076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.3
68.99830	0.4
69.03447	0.4
71.01381	0.5
71.05016	0.4
73.29073	0.2
74.83732	0.2
75.40121	0.2
81.03453	11.5
83.01389	2.4
85.02939	0.3
87.00896	0.3
93.03439	2.3
95.01392	0.5
95.05023	5.8
97.02942	3.0
99.04512	11.8
105.03439	0.4
107.05095	0.3
108.02186	0.3
109.02969	2.0
111.04524	1.5
113.02428	1.2
117.03469	12.7
119.93047	0.2
121.02965	1.0
123.04518	7.4
125.02441	39.4
129.01941	0.3
133.02971	1.5
135.04512	3.1
137.02458	6.4
139.04024	3.8
145.02885	0.3
147.04558	0.3
149.02489	2.0
149.68933	0.3
151.04001	1.8
159.04504	0.3
161.02452	7.7
162.02997	0.4
163.00430	0.4
163.04033	3.4
164.01164	0.5
165.01949	0.9
165.05560	0.9
167.03499	100.0
168.03821	1.1
175.03973	0.5
177.01961	0.6
177.05595	0.3
179.03526	3.9
189.01910	0.9
190.02365	0.3
191.03520	3.4
193.01465	2.0
195.05092	1.3
197.04567	19.8
203.03499	0.4
205.01486	0.4
207.03008	0.3
209.04599	1.2
213.05675	0.4
217.01457	0.3
221.04562	0.3
229.08591	0.8
231.10220	0.4
235.02542	4.9
255.02812	0.7
257.04620	0.3
265.03604	0.5
269.04474	0.6
269.06857	0.8
287.07880	3.0
289.07278	0.5
327.04935	0.4
329.06726	35.1
330.07153	0.6
359.07773	5.1
395.07712	1.1
421.09534	0.4
431.09702	1.2
435.13010	0.3
439.12622	0.4
444.11090	0.3
449.10992	13.3
450.11295	0.4
451.11368	0.3
471.15222	1.1
514.19714	0.2
525.10406	0.3
569.10876	0.3
606.79602	0.3
677.13348	1.1
695.14020	0.4
705.64191	0.3
916.92218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.2
71.01379	0.3
71.05036	0.5
75.00895	0.2
81.03448	11.2
83.01376	2.6
84.42482	0.3
85.02931	0.5
93.03454	3.1
95.01387	0.5
95.05013	7.2
96.96027	0.6
97.02938	3.7
99.04503	12.3
101.02427	0.4
103.95772	0.3
105.03495	0.4
109.02956	1.3
111.04540	1.5
113.02461	1.4
117.03448	13.2
121.02954	1.3
123.04523	7.6
124.04863	0.4
125.02434	40.2
126.02772	0.4
129.01894	0.4
133.02931	1.1
135.04524	2.5
137.02440	7.3
139.03993	3.8
147.04514	0.3
149.02429	1.6
151.04002	1.8
161.02448	7.0
162.02818	0.4
163.03992	1.7
164.01155	0.5
165.01939	1.4
165.05611	0.6
167.03487	100.0
168.03799	1.1
174.03157	0.3
175.04048	0.3
177.01884	0.5
177.05534	0.4
179.03490	3.6
181.05127	0.3
189.01917	1.3
191.03560	2.5
192.00673	0.4
193.01418	1.4
195.05067	1.4
197.04553	20.8
203.03549	0.4
205.01466	0.4
207.02959	0.3
209.04518	2.0
213.05449	0.4
221.04576	0.3
227.05481	0.3
229.08798	0.4
235.02486	5.3
249.48352	0.3
255.03003	0.4
265.03479	0.3
269.04428	1.1
269.06833	1.0
287.07910	2.6
289.07144	0.6
329.06693	32.0
330.07123	0.5
359.07758	5.9
395.07687	1.3
396.08456	0.3
431.09793	0.4
447.08978	0.3
449.10941	13.0
453.14011	0.3
471.15195	0.4
493.02304	0.3
655.05060	0.3
677.12988	0.4
695.14240	0.6
697.13763	0.3
844.16541	0.3
950.59161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04001	0.5
65.42102	0.4
67.01895	0.5
69.03473	0.6
71.01382	0.8
72.99323	1.8
75.00868	0.5
81.03448	11.1
83.01376	4.1
93.03452	5.3
95.01408	0.9
95.05022	7.5
97.02953	5.2
99.04511	11.0
99.78726	0.5
105.03442	0.9
107.05025	4.3
108.02187	0.5
109.02956	8.7
111.04510	0.7
113.02455	1.6
117.03461	16.3
119.05037	0.8
121.02254	0.4
121.02950	3.7
122.03665	0.8
123.04523	14.8
124.01652	0.5
125.02436	58.0
129.01962	0.8
131.05099	0.5
132.02173	0.5
133.02939	4.5
135.03482	0.8
135.04515	21.4
137.02437	19.2
137.06078	0.5
138.03200	0.4
139.03978	5.5
145.02946	6.1
146.03664	0.4
147.00865	0.7
147.04529	2.0
148.01654	0.4
149.02435	13.7
150.03203	0.9
151.00327	0.8
151.04008	10.3
153.01945	0.8
155.76959	0.4
157.06657	0.5
159.04510	2.8
161.02448	37.2
161.06088	2.2
162.03064	2.2
163.00314	4.3
163.04001	22.4
164.01129	3.0
165.01945	5.1
165.05519	1.8
167.03491	100.0
169.06512	0.6
171.04512	0.9
173.02405	3.7
173.06088	0.6
174.03232	1.7
175.04016	5.8
175.07596	0.5
175.61101	0.5
176.01122	2.3
177.01921	8.3
177.05617	0.6
179.03491	6.3
181.05128	0.6
181.06569	0.5
183.04477	0.7
185.06050	0.8
187.04012	3.8
188.04735	1.9
189.01938	11.3
189.05540	4.9
190.02245	2.9
191.03513	41.6
193.01396	1.5
195.04962	0.8
197.04552	20.1
197.06067	1.6
199.04002	2.7
200.04712	0.4
201.01884	0.4
201.05573	2.0
203.03482	0.9
203.07167	2.6
205.01450	0.9
205.05081	2.1
206.02046	0.4
207.03008	4.5
209.04564	1.3
211.04071	1.5
213.05605	5.7
214.02783	0.5
215.03560	2.6
215.07098	0.7
217.01462	2.6
217.05011	0.6
219.02985	0.7
224.02644	0.5
224.04721	0.6
225.03654	3.4
225.05670	2.5
227.03455	0.9
227.07144	0.8
228.04237	0.6
229.04979	3.1
230.11205	0.5
231.03110	0.8
231.06628	2.1
235.02481	9.9
239.07262	0.6
240.04346	0.5
241.05127	4.5
243.02995	3.8
245.04610	0.5
245.08214	3.0
249.15175	0.4
252.04395	0.7
253.05006	1.9
254.05667	0.5
255.03008	12.3
255.06607	2.2
256.03662	3.1
257.04581	2.6
265.03290	0.5
267.03055	1.7
267.06601	1.9
269.04489	12.3
273.04086	0.5
277.05096	0.7
279.02991	0.8
279.06479	0.7
281.04495	3.4
283.02383	0.7
285.04071	0.8
287.08005	3.4
289.07202	7.7
291.06686	0.9
293.04556	2.1
295.02859	0.5
295.06107	0.8
299.05710	1.4
309.04163	0.7
311.05557	0.8
319.06174	0.6
323.06003	0.4
327.05029	0.5
329.06696	30.8
340.01639	0.4
345.10986	1.8
359.07816	6.4
373.03299	0.5
375.05115	1.6
395.07748	19.3
396.08182	0.5
407.07761	9.4
421.09415	2.6
431.09747	0.7
434.06552	0.7
435.07596	0.7
445.09290	2.0
447.07211	0.9
449.10910	13.4
451.10159	1.0
463.10269	4.1
471.15054	0.7
481.89148	0.4
489.07700	0.5
507.16449	0.7
525.08960	9.2
525.94373	0.5
526.09009	0.6
543.09344	11.5
544.09253	0.5
551.09857	0.9
557.11218	2.1
569.10962	5.9
587.11566	1.5
613.09399	0.6
631.11047	2.8
641.11066	0.5
677.13031	16.6
678.14496	0.7
695.14294	15.1
696.15424	0.5
707.14154	0.6
722.13470	0.5
769.14490	0.8
859.18964	0.9
921.17664	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	921.189
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73691	1.8
68.05753	2.1
72.99344	3.7
73.02310	1.9
78.80132	1.9
83.01396	3.5
95.01417	1.9
97.02985	9.2
107.05033	10.4
109.02966	12.3
113.02483	4.4
117.03491	2.9
119.05070	2.7
121.02966	4.2
123.04521	3.9
125.02441	50.8
133.02950	18.7
135.03607	2.9
135.04538	54.4
137.02454	31.4
144.18179	2.2
145.02979	11.2
147.04536	2.8
149.02446	19.5
151.04008	5.1
153.01953	4.1
159.04468	2.3
161.02457	100.0
162.02921	2.5
163.00360	14.9
163.04028	52.2
164.01158	3.2
173.02440	8.8
175.04008	16.7
176.01079	2.5
177.01994	19.8
179.03506	11.1
180.09262	2.1
187.03993	8.9
187.07663	3.5
189.01863	15.3
189.05573	12.2
190.02570	2.4
191.03537	86.5
195.04916	2.4
199.04012	3.5
201.01929	3.4
201.05688	2.2
203.03535	8.6
205.08716	2.7
207.03040	4.1
211.04047	2.4
213.05644	4.4
215.03551	4.2
217.01517	3.9
217.05054	4.3
225.03975	16.1
227.07083	3.7
229.05138	8.8
231.96701	2.3
235.02565	15.0
241.05074	3.4
243.03012	4.5
255.03011	22.3
256.03934	3.4
257.04587	10.7
259.06140	8.0
267.03085	2.6
267.06738	2.9
269.04550	11.1
273.03958	2.8
273.07764	12.3
283.02518	3.4
285.04102	30.0
287.05667	3.2
299.05515	3.6
311.05557	3.0
323.09274	4.5
327.05270	3.0
341.08759	3.3
391.08435	3.1
411.07190	32.4
435.11636	2.4
447.10791	5.3
449.10922	8.8
457.10864	2.2
509.10809	11.1
541.08173	2.6
559.09216	16.2
573.11035	3.1
585.10126	7.7
695.14081	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.2
69.03431	1.4
72.99314	2.1
73.90060	1.3
81.03473	5.8
83.01415	7.7
93.03477	8.6
95.01402	1.7
95.04999	1.4
97.02956	2.8
99.04543	1.7
105.03468	2.1
107.05043	9.2
109.02956	22.9
111.86755	1.5
117.03478	5.9
119.05039	2.3
121.02922	9.6
123.04533	14.4
125.02448	55.7
131.05011	1.4
133.02962	34.7
134.03371	1.2
135.00888	1.9
135.04527	48.8
137.02455	32.1
139.04033	2.8
145.03011	12.6
147.04529	2.8
149.02448	28.2
151.00441	5.2
151.04022	18.5
159.04555	5.3
161.02455	78.1
161.06094	4.7
162.03017	6.2
163.00398	14.3
163.04030	54.1
164.01154	6.1
165.01939	8.2
165.54614	1.4
167.03511	21.6
171.04576	2.1
173.02469	8.7
174.03249	1.6
175.04010	17.3
176.01132	5.7
177.01915	17.6
178.02649	1.4
179.03555	13.0
181.05157	2.4
181.06642	2.2
183.04544	3.1
185.06081	4.8
187.03957	10.3
188.04747	1.9
189.01991	13.5
189.05598	12.0
190.02702	2.5
191.03523	100.0
193.01282	1.7
195.04913	1.4
197.04475	2.5
197.06128	2.5
198.03105	1.5
199.04019	7.5
201.01862	5.1
201.05602	3.3
203.03510	3.1
203.07187	7.2
205.01442	2.2
205.05135	6.3
207.02963	6.9
211.04082	2.1
212.04764	1.8
213.05695	11.5
215.03490	5.8
217.01474	6.4
225.04025	7.7
225.05833	4.0
227.03635	4.9
227.07135	1.9
229.05136	6.4
231.06654	5.4
233.04562	1.7
235.02478	17.0
237.05630	2.3
240.04150	2.2
241.05035	13.9
243.02969	10.4
243.06735	2.1
245.08296	10.9
252.04335	1.5
253.05070	8.8
254.05573	1.5
255.03064	27.3
255.06453	5.2
256.03699	9.7
257.04504	3.2
258.43896	1.5
265.05099	2.6
265.08569	1.3
267.03082	2.5
267.06689	1.7
269.04581	35.0
270.05194	2.2
277.05344	1.7
279.02939	1.8
280.03528	1.3
281.04602	2.5
283.02606	2.2
283.06018	2.5
284.03287	10.9
285.03998	34.0
286.04465	13.7
287.04922	2.8
289.07266	14.0
293.04706	5.4
295.06061	1.5
297.04092	37.7
298.04675	41.7
299.05438	38.1
300.05869	11.8
309.04031	3.0
311.05634	10.0
312.05908	2.3
319.06339	2.4
327.05185	80.4
328.05466	46.9
329.05826	21.5
339.05139	10.6
340.05606	6.2
341.06113	2.4
345.34540	1.4
357.06238	60.9
358.06573	34.9
359.06772	13.2
369.06155	1.4
371.05661	2.3
375.04959	2.3
394.06763	1.9
395.07779	49.8
407.07739	18.1
421.09232	3.2
429.08316	2.9
430.08694	2.4
431.08789	1.5
435.07358	1.6
439.12979	1.6
445.09387	3.1
447.09390	82.2
448.09744	64.1
449.09995	43.1
463.10275	9.9
525.08978	19.5
527.26550	1.7
543.09650	24.4
551.09924	1.5
557.11060	5.9
569.11035	17.0
613.10199	2.6
631.11029	3.2
677.13257	35.4
695.14215	39.9
707.13885	2.4
768.97815	1.8
769.13104	3.0
859.19324	2.7
864.76764	1.9
921.18829	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	919.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13257	0.8
69.03451	5.4
71.01379	20.7
73.02948	2.2
82.46947	0.9
83.01388	1.7
85.02974	5.8
85.50050	1.1
87.00900	4.1
89.02441	24.0
95.01448	1.2
96.49892	0.9
97.02961	5.0
101.02447	16.1
113.02438	10.3
116.92837	1.2
119.03500	6.3
125.02471	6.0
143.03505	1.5
161.04506	4.3
167.10793	2.2
171.05608	1.3
178.82050	1.1
179.05656	5.1
179.14462	3.3
180.60858	1.2
185.04620	1.1
195.13905	14.3
205.12387	11.9
212.12024	1.1
221.06708	4.2
223.13426	100.0
235.08301	5.0
255.23335	68.6
255.25514	1.2
287.07898	1.5
305.08704	1.5
379.12531	9.3
397.13556	39.6
415.14798	7.5
603.26752	18.1
621.27881	15.5
635.36536	2.0
653.37274	5.1
824.99207	1.2
859.50275	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	919.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47911	8.3
71.01396	19.7
78.95943	13.1
89.02465	10.8
97.26640	9.4
101.02474	17.8
109.06630	15.6
119.03516	11.2
154.30467	10.4
189.07213	10.8
207.10226	73.2
215.91859	10.3
225.11359	20.9
263.14932	11.8
277.21790	65.6
397.13721	68.2
865.45929	14.0
883.46655	100.0
900.24792	11.2
919.44788	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	5.8
70.65501	5.2
71.01401	23.5
78.30822	4.9
78.95861	5.1
80.02729	6.0
82.95438	20.7
89.02450	11.8
95.82957	5.0
101.02463	8.7
109.06615	24.7
119.03439	5.4
120.93195	5.2
163.11247	11.6
170.10648	5.2
199.13452	6.7
207.10281	89.2
225.11249	55.7
277.21771	48.3
379.12421	8.2
397.13571	41.5
415.14685	10.1
425.06262	5.6
513.34747	5.9
605.24713	20.4
623.25800	7.8
648.61285	5.4
692.79126	5.8
883.47046	100.0
919.44635	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74866	0.1
71.01390	0.8
73.02959	0.8
75.00864	0.2
75.08088	0.2
77.03983	0.3
79.01887	0.2
83.01413	0.9
85.02968	0.3
88.76871	0.2
97.02918	0.3
101.02457	0.8
101.36043	0.2
105.03481	0.3
107.01366	0.3
109.02955	1.8
119.05048	0.8
121.02949	1.1
125.02398	1.6
133.02942	10.6
134.03711	1.2
135.04491	1.4
136.01657	0.2
137.02489	0.4
147.04524	1.2
148.01703	0.3
149.02464	1.6
151.00386	0.7
151.04010	0.4
161.02432	1.7
163.00359	1.8
163.04024	4.1
165.01927	1.7
173.02426	0.4
175.00444	0.2
175.04005	3.1
177.01929	1.2
179.03458	0.4
185.02396	0.3
185.06023	0.2
185.52660	0.2
186.10587	0.2
189.01833	0.2
191.03542	2.5
193.01451	2.9
195.05107	0.4
198.03230	0.3
199.04070	1.4
201.01961	1.6
203.03523	0.8
209.06073	0.2
211.04008	0.2
211.07713	0.2
212.04871	0.4
213.05418	1.2
215.03581	0.7
217.05124	0.3
225.05530	0.9
226.02641	0.2
226.06354	0.2
227.03568	0.7
227.07182	0.3
237.05580	0.3
240.04352	1.0
241.05095	0.7
242.02310	0.2
243.02968	0.3
253.05038	1.4
255.02945	0.9
255.06616	0.8
256.03857	0.3
257.04581	0.3
259.06116	0.2
269.04584	1.3
271.06171	0.3
275.09341	0.2
281.04578	0.4
283.02841	0.2
283.06100	0.3
284.03278	10.2
285.04047	7.0
293.10434	0.4
297.04062	17.4
298.04828	10.5
299.05624	22.1
309.04105	1.1
310.99854	0.2
311.05664	3.2
324.02774	0.4
325.03665	1.3
327.05139	100.0
328.05585	1.5
339.05081	3.4
341.06342	0.6
357.06198	24.3
358.06384	0.4
369.06049	2.4
393.06119	1.0
447.09384	66.9
448.09607	1.1
471.15186	0.8
828.78632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48438	0.3
75.00906	0.3
76.56668	0.2
77.03952	0.3
83.01398	0.5
90.96517	0.3
91.39178	0.3
95.05038	0.3
95.54841	0.3
107.01365	0.6
108.72487	0.3
109.02959	2.9
119.04977	0.4
121.02936	1.2
123.04469	0.4
125.02435	1.4
133.02937	16.2
134.03740	1.2
135.00970	0.4
135.04512	3.1
136.01718	0.4
137.02452	0.5
145.02991	0.4
147.04558	0.6
149.02431	1.3
149.29057	0.3
151.00377	1.1
151.03976	0.6
161.02449	12.2
163.00381	3.7
163.03992	2.1
164.00970	0.4
165.01894	1.5
173.02391	0.3
174.03195	0.3
175.03984	4.1
177.01874	0.7
179.03456	2.5
189.01942	2.9
191.03491	1.2
193.01395	1.4
195.05060	0.4
197.06062	0.4
199.03937	2.5
201.01929	1.7
203.03497	1.8
213.05615	1.2
225.05492	1.6
227.03447	1.2
229.01422	0.3
229.05138	0.4
235.03944	0.3
240.04311	0.6
241.05049	1.4
243.02870	0.4
253.05115	2.3
255.02963	2.0
255.06650	0.6
256.03784	0.3
269.04572	3.1
270.05212	0.4
271.06113	0.5
281.04581	0.6
282.27164	0.3
284.03247	9.6
285.04065	21.2
296.03168	0.3
297.04047	33.3
298.04822	25.0
298.08282	0.6
299.05588	18.0
309.04068	0.6
311.05612	7.5
324.02667	2.5
325.03500	2.4
327.05127	81.0
328.05560	1.6
339.05106	11.1
341.06369	1.3
341.09378	1.0
357.06183	64.0
358.06561	1.5
369.06256	4.0
381.06216	0.5
387.06940	0.5
393.06296	0.5
395.07651	0.3
399.07141	1.1
401.91763	0.3
411.07364	1.1
429.08270	6.2
439.12527	1.7
447.09378	100.0
448.04230	0.3
448.09607	2.5
456.01788	0.3
643.79742	0.3
746.65131	0.3
854.88049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48438	0.3
75.00906	0.3
76.56668	0.2
77.03952	0.3
83.01398	0.5
90.96517	0.3
91.39178	0.3
95.05038	0.3
95.54841	0.3
107.01365	0.6
108.72487	0.3
109.02959	2.9
119.04977	0.4
121.02936	1.2
123.04469	0.4
125.02435	1.4
133.02937	16.2
134.03740	1.2
135.00970	0.4
135.04512	3.1
136.01718	0.4
137.02452	0.5
145.02991	0.4
147.04558	0.6
149.02431	1.3
149.29057	0.3
151.00377	1.1
151.03976	0.6
161.02449	12.2
163.00381	3.7
163.03992	2.1
164.00970	0.4
165.01894	1.5
173.02391	0.3
174.03195	0.3
175.03984	4.1
177.01874	0.7
179.03456	2.5
189.01942	2.9
191.03491	1.2
193.01395	1.4
195.05060	0.4
197.06062	0.4
199.03937	2.5
201.01929	1.7
203.03497	1.8
213.05615	1.2
225.05492	1.6
227.03447	1.2
229.01422	0.3
229.05138	0.4
235.03944	0.3
240.04311	0.6
241.05049	1.4
243.02870	0.4
253.05115	2.3
255.02963	2.0
255.06650	0.6
256.03784	0.3
269.04572	3.1
270.05212	0.4
271.06113	0.5
281.04581	0.6
282.27164	0.3
284.03247	9.6
285.04065	21.2
296.03168	0.3
297.04047	33.3
298.04822	25.0
298.08282	0.6
299.05588	18.0
309.04068	0.6
311.05612	7.5
324.02667	2.5
325.03500	2.4
327.05127	81.0
328.05560	1.6
339.05106	11.1
341.06369	1.3
341.09378	1.0
357.06183	64.0
358.06561	1.5
369.06256	4.0
381.06216	0.5
387.06940	0.5
393.06296	0.5
395.07651	0.3
399.07141	1.1
401.91763	0.3
411.07364	1.1
429.08270	6.2
439.12527	1.7
447.09378	100.0
448.04230	0.3
448.09607	2.5
456.01788	0.3
643.79742	0.3
746.65131	0.3
854.88049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68567	4.0
67.70535	3.5
70.71577	3.5
71.01381	51.8
73.02941	7.6
78.95899	4.3
80.96519	6.8
83.05058	5.1
85.02930	5.3
87.00864	6.9
89.02445	34.2
92.65771	3.7
95.04999	5.4
97.02979	8.2
101.02431	29.0
107.07410	3.6
109.06535	4.8
111.08154	20.1
113.02460	22.9
119.03488	4.7
125.02442	7.2
139.18370	4.8
149.71744	4.6
150.92384	4.5
161.04596	6.9
163.11272	18.0
171.10295	35.4
181.12430	4.8
195.13992	16.0
197.11864	8.7
201.11325	9.1
207.10275	19.9
209.11853	89.2
223.13521	5.7
225.11380	26.4
235.08221	5.9
253.09438	5.8
291.19702	66.0
293.21265	100.0
309.20822	7.3
310.21304	6.4
327.22015	5.7
328.22452	7.1
397.13544	34.9
415.14615	16.5
568.91626	4.6
615.00769	4.9
722.04987	5.3
752.60803	4.5
899.46594	5.4
917.47046	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	917.468
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57108	14.0
83.36165	17.0
102.39323	18.4
116.92776	17.2
151.08611	20.8
156.91919	19.7
201.24324	23.3
223.13416	100.0
277.21558	34.2
397.13489	74.6
510.63120	20.9
699.46289	24.0
917.46851	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04123	1.8
69.03450	2.2
71.01386	30.1
73.02952	4.0
79.86399	1.6
80.96511	3.3
83.05035	8.2
85.02965	9.0
87.00877	7.2
89.02447	27.0
90.91016	1.7
92.10064	4.4
97.02959	4.3
101.02415	16.8
109.06606	2.4
111.08156	3.7
113.02444	14.1
119.03449	4.2
119.91882	1.9
125.02451	7.3
125.09737	2.9
155.10822	2.7
163.11263	10.9
171.10295	27.3
179.05603	6.7
181.12300	2.6
191.74426	2.1
195.13925	12.5
201.11342	21.5
207.10257	9.0
209.11880	100.0
225.11320	31.7
227.12859	4.5
235.08334	6.4
253.09175	1.9
275.20279	3.1
282.53543	1.9
291.19656	45.6
293.21271	49.7
309.20703	2.7
397.13690	32.3
415.14743	18.7
623.25665	2.3
899.47235	2.6
917.45917	4.0
927.24225	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	915.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80011	1.3
67.58511	1.4
71.01376	13.7
72.68643	1.4
73.02976	1.6
81.42119	1.5
85.02937	1.9
87.00874	2.0
89.02444	16.1
95.01407	1.7
97.02970	2.3
101.02452	14.4
103.30704	1.4
113.02455	9.7
119.03551	1.8
124.06607	1.5
124.36266	1.4
125.02438	9.1
131.03572	1.8
153.12865	2.8
161.04590	1.8
169.12334	6.5
197.11841	100.0
235.08173	3.4
256.13907	1.6
275.61014	1.6
277.21744	57.0
301.50372	1.9
379.12524	8.8
397.13513	32.1
415.14487	5.8
577.25165	3.8
595.26605	5.5
600.60376	1.8
675.36432	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	915.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42032	3.9
71.01370	36.5
83.05088	4.6
85.02950	9.2
87.00899	8.1
89.02418	32.6
92.10125	10.4
97.02956	9.4
101.02466	25.0
110.03715	4.5
111.04562	23.0
113.02483	17.9
119.03528	4.9
120.50307	4.6
125.02448	4.7
125.09741	5.7
151.11351	8.9
151.55756	4.2
161.09694	7.1
171.10257	33.8
179.10767	35.9
195.13887	17.8
205.08768	23.0
207.10388	6.6
213.11459	6.5
221.06519	4.9
223.09772	76.4
248.69586	5.3
275.20331	5.1
291.19556	6.1
293.21280	100.0
397.13580	31.5
415.14398	10.2
621.24139	6.4
897.44824	35.9
915.46198	20.9
942.42908	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	915.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	4.2
71.01388	15.4
73.02952	3.3
77.97014	1.0
82.93028	0.8
83.01389	1.6
85.02942	3.6
87.00865	3.5
89.02438	13.3
97.02967	2.1
101.02435	16.8
108.16897	0.9
109.06605	1.4
113.02457	6.9
119.03496	3.6
125.02415	4.2
125.09715	3.5
131.03473	1.0
137.09677	1.0
151.03976	1.0
151.11299	1.9
153.02092	0.9
153.12891	0.9
161.04582	1.6
161.09744	3.5
171.10257	1.4
179.05556	1.2
179.10822	7.0
195.13879	4.3
197.11847	87.3
207.10315	2.1
211.13454	2.1
221.06641	2.0
223.13434	2.1
225.11234	1.2
228.13783	0.9
235.08263	1.4
241.10831	5.1
253.09567	1.0
291.19662	4.6
293.21210	13.4
309.20734	3.9
327.21744	2.0
373.30014	0.9
397.13263	1.2
423.94299	0.9
475.29181	1.0
645.23938	1.1
915.46057	100.0
916.46729	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	913.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57957	1.6
69.03465	3.9
70.23331	1.3
70.82182	1.6
71.01379	44.2
73.02949	3.9
75.00913	2.1
75.03547	1.5
83.01391	2.9
83.05038	2.7
85.02967	11.2
87.00899	9.7
89.02451	30.7
92.10132	2.7
95.01404	2.6
97.02962	2.8
99.04519	1.8
101.02428	25.7
111.08148	13.8
113.02459	11.5
116.92859	2.5
119.03496	9.1
122.68822	2.3
123.04487	1.7
125.02450	11.4
137.09714	2.4
142.38951	1.9
161.04543	3.0
167.10805	9.1
177.12904	8.9
179.05608	2.9
183.13960	1.8
195.13918	28.8
197.11996	2.1
203.10837	2.1
205.12219	12.3
221.11935	15.6
223.13420	77.2
235.08249	7.9
239.12895	24.9
275.20352	2.1
291.19690	100.0
291.22964	3.4
293.21219	32.5
369.52386	2.1
397.13602	39.1
415.14471	13.1
913.48828	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	2.5
71.14271	0.3
75.00927	0.4
77.04008	1.9
79.01902	0.8
83.01399	0.4
85.02991	0.7
89.02460	1.6
93.02950	0.4
93.03475	2.1
101.02462	1.6
105.03500	0.7
109.02948	0.5
113.02492	1.6
117.03465	11.3
117.04256	0.7
119.04992	2.5
121.02985	2.3
125.02438	0.6
132.66275	0.3
133.02979	0.7
134.64214	0.3
135.04510	3.3
145.02960	8.5
147.04572	0.4
149.02455	2.7
159.03183	0.4
159.04520	2.8
161.02435	6.8
161.04626	0.5
163.04016	6.4
165.01903	0.5
172.19226	0.4
173.02425	0.7
173.06062	0.4
175.04037	0.6
175.82292	0.3
177.02071	0.3
179.03508	0.7
183.08162	0.4
187.04019	2.6
191.03560	2.0
193.01491	0.6
195.05037	1.6
197.06133	0.6
203.03564	1.6
205.05096	0.4
211.07736	0.5
215.07155	0.5
224.04817	0.6
225.05687	0.4
237.05542	0.6
239.07195	2.4
240.53909	0.4
252.32468	0.4
268.03815	3.2
269.04514	3.1
275.09238	1.4
281.04611	3.0
282.05252	2.4
283.06137	63.6
284.06503	3.0
285.06769	0.7
293.04437	2.5
295.06342	0.6
307.76828	0.4
309.03946	0.4
311.05652	100.0
312.05936	5.5
313.06287	1.9
323.05493	3.3
325.09341	2.2
341.06625	8.6
342.06854	0.4
349.55173	0.4
371.20837	1.3
389.21774	1.4
423.12903	0.8
431.09863	79.5
431.22235	5.1
432.10297	4.4
433.10587	2.1
466.98557	0.5
480.30893	0.4
486.54205	0.4
527.89667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	7.2
72.99310	1.9
73.02937	0.6
75.00865	28.6
81.03435	0.9
83.01380	2.1
85.02946	8.1
87.00867	7.0
89.02426	3.9
99.00881	8.0
99.04544	0.9
101.02441	16.8
107.05045	0.6
109.02969	3.3
111.00878	4.0
113.02455	2.1
125.02437	5.4
127.04028	0.8
129.01938	81.2
133.02951	13.1
135.04530	11.2
137.02441	2.1
149.02469	2.0
149.06050	0.9
151.04138	0.6
153.01932	0.6
153.80664	0.5
159.03008	12.3
159.04320	1.1
161.02449	49.9
162.02736	1.1
163.00389	1.2
163.04030	0.6
164.01120	0.7
172.05325	0.9
173.06062	2.2
175.04048	0.9
177.01920	2.5
177.04021	2.2
177.05576	3.4
179.03511	10.8
185.06137	0.6
187.04019	0.8
187.07646	18.0
187.09200	1.1
194.61197	0.5
195.05106	100.0
199.04001	0.8
201.05533	1.0
202.06458	3.8
203.03438	0.5
203.07216	3.9
213.09286	2.5
215.07045	0.9
217.05034	0.6
219.02962	0.6
221.04535	4.3
227.03476	0.7
228.04210	0.7
229.04874	0.5
229.08655	0.7
231.10239	5.7
243.02866	0.6
245.93759	0.6
247.06114	1.0
251.05557	1.0
255.03043	0.8
257.08145	5.8
275.09348	5.2
281.06793	4.4
285.04099	2.8
289.07184	1.2
291.07227	2.5
295.06113	0.6
341.08954	4.1
349.09555	0.9
409.11667	0.8
411.07117	3.6
453.09949	40.5
526.86462	0.6
573.09625	0.7
697.15607	0.8
838.20044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08474	0.3
71.01405	2.6
75.00887	0.7
78.30477	0.3
81.03478	1.6
83.01395	0.6
85.02950	5.5
89.02450	0.8
92.10860	0.5
97.02972	0.6
99.00864	0.5
99.04546	0.6
101.02441	7.8
109.02938	1.5
111.00855	3.0
113.02469	1.3
121.02908	0.5
123.04513	4.9
125.02449	1.7
129.01939	28.6
132.02165	0.4
133.02956	27.0
134.03702	1.4
135.04520	12.3
139.73715	0.4
147.04495	0.5
159.04501	0.4
161.02451	100.0
162.02798	1.5
167.03430	0.7
175.04053	0.7
177.05565	1.4
179.03490	8.2
187.07664	0.7
189.05663	0.3
195.05128	2.4
203.03561	2.2
203.07138	0.7
229.08720	5.3
231.10429	0.5
255.06567	0.5
273.07770	1.4
275.09335	1.7
289.07251	0.5
291.07214	0.7
341.08878	3.1
409.11551	0.8
435.12982	4.5
439.12512	0.6
453.10397	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30875	2.1
75.00880	5.6
83.01415	14.5
91.92696	2.4
93.03466	30.8
95.01392	5.3
95.05023	4.6
96.96056	2.3
97.02973	19.2
105.03465	3.5
107.05038	13.9
108.02207	3.8
109.02965	38.5
113.83133	2.3
117.03503	2.7
119.05021	4.9
121.02954	30.8
122.03741	3.2
123.00826	4.1
123.04518	38.6
124.01624	3.2
125.02442	100.0
129.01939	4.3
131.05075	3.0
133.02953	16.2
134.03687	2.7
135.00914	4.3
135.04536	19.0
137.02435	48.8
139.04010	9.6
143.05052	4.9
145.02963	5.4
146.03697	2.6
147.04510	17.2
148.01694	3.9
149.02446	62.1
150.03156	3.6
151.03979	28.4
153.01932	4.5
153.05585	2.8
157.06531	4.6
158.03702	3.6
159.03149	3.1
159.04507	17.5
161.02448	56.8
161.06056	9.7
162.03191	5.2
163.00389	66.2
163.04027	38.3
164.01169	36.1
165.01921	28.4
165.04248	2.5
165.05583	4.3
166.02678	4.2
167.03476	2.8
169.06558	4.7
171.04550	4.1
173.06052	10.5
174.03185	3.5
175.03931	21.5
176.01154	24.9
177.01930	85.6
177.05475	3.7
178.02704	13.1
179.03503	12.6
185.06120	4.8
187.03995	16.8
187.07689	3.8
189.01912	13.0
189.05554	5.5
190.02667	2.6
191.03494	12.2
191.05153	2.4
195.04987	13.8
196.05365	3.7
197.06142	10.9
199.04018	16.5
199.07489	3.7
200.04651	2.8
201.01877	3.3
201.05603	11.9
202.99843	4.4
203.03517	3.7
203.07126	5.4
205.01437	33.2
205.05096	5.7
209.04576	8.2
211.03944	9.7
212.04787	3.6
213.05531	19.5
214.06226	3.1
215.03430	2.8
215.07185	13.2
217.05040	13.1
217.08636	4.8
219.03001	4.4
223.07639	3.3
224.04788	5.0
225.05511	13.1
226.06165	3.1
227.03496	6.0
227.07051	2.8
228.04401	3.3
229.05058	12.1
229.08704	3.5
231.03104	4.5
233.08221	3.4
239.07129	11.7
240.04233	5.3
241.05092	25.6
241.08626	4.6
242.05693	3.9
243.02998	19.9
243.06682	5.5
245.08101	4.9
251.03465	2.6
252.04343	3.6
253.05092	15.7
253.08789	3.5
255.02992	51.1
255.06541	5.2
256.03754	11.6
257.04575	6.2
257.08154	4.2
259.06000	4.3
265.04987	10.9
267.03061	5.5
267.06656	11.6
268.03790	9.7
269.04599	58.7
271.06198	4.3
273.07700	4.3
279.03391	3.3
280.03470	3.0
281.04620	18.5
283.03027	5.0
283.06113	21.6
285.04236	4.9
285.07758	10.7
289.07266	4.5
291.06537	10.4
293.04596	17.6
295.02582	3.0
295.05786	8.0
297.07608	4.0
301.07095	25.9
306.05350	2.5
307.02264	3.5
309.04031	14.6
311.05872	8.0
313.07239	5.4
319.06046	2.9
321.04105	5.8
325.07184	4.5
329.06641	11.5
345.11020	9.5
347.07755	3.9
357.06204	14.6
373.03470	3.5
374.04410	3.4
375.04965	2.9
395.02808	3.3
395.07556	27.1
407.07764	37.9
419.07877	5.8
421.09854	7.9
427.08002	2.7
434.06497	17.9
435.07074	26.9
445.09357	15.1
447.07114	4.5
465.11948	10.0
467.10449	2.8
491.10025	6.1
496.30255	2.8
507.16171	4.0
509.10959	54.5
525.07977	29.0
541.11768	28.1
543.09448	47.0
553.11285	20.3
571.12775	34.6
597.10590	11.3
615.11615	55.5
677.13092	77.5
695.14215	67.7
753.15399	4.4
772.32397	3.3
905.19196	14.6
913.88116	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	905.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	5.7
81.03494	1.3
83.01392	5.0
85.02975	1.5
93.03477	10.6
96.96035	4.6
97.02970	7.8
107.05030	11.2
108.02171	1.3
109.02323	1.3
109.02935	9.6
113.02457	2.7
117.03443	8.5
119.05019	2.8
121.02990	6.0
123.00895	1.3
123.04550	10.1
125.02428	43.1
125.03303	1.8
128.43144	1.3
129.01945	1.6
133.02954	10.6
135.04523	57.7
137.02425	40.4
138.03209	1.4
138.64651	1.2
139.04004	2.0
143.05057	2.2
145.02942	13.8
145.06654	1.2
147.00844	2.2
147.04532	5.0
148.01689	1.8
149.01273	1.9
149.02441	36.8
150.03227	1.2
151.04033	14.6
153.01967	2.0
155.51932	1.1
159.04532	5.4
161.02444	74.1
161.06099	2.1
162.02939	2.2
163.00371	9.7
163.04005	57.4
164.01154	8.4
165.01933	5.0
168.15100	1.2
173.02422	8.2
174.03258	2.7
175.03984	7.3
175.28848	1.4
176.01196	6.2
177.01933	20.6
177.05591	1.7
178.02635	1.4
179.03496	5.2
181.06601	1.8
182.02324	1.6
183.04460	1.4
185.06102	1.6
187.04002	7.8
187.07677	2.8
188.04683	1.9
189.01927	20.6
189.05597	18.6
190.02501	2.2
191.03517	100.0
195.05127	2.1
197.06108	2.3
199.04031	6.9
201.02074	1.4
201.05576	2.3
207.03024	9.9
211.04010	5.1
212.04848	1.6
213.05597	11.8
213.09354	1.2
215.03491	7.0
215.07248	1.7
217.01454	7.5
217.04968	1.7
219.03026	1.7
225.03860	12.7
225.05853	2.8
226.06499	1.5
227.03510	5.4
227.07280	1.6
228.04253	1.5
229.05070	5.4
229.08649	1.7
231.06610	2.7
235.02489	16.7
239.07094	2.5
240.04488	1.2
241.05063	11.4
243.02924	8.8
249.05383	1.8
253.05014	2.5
254.05875	1.7
255.03027	40.3
255.06642	5.0
256.03726	7.8
257.04535	8.0
257.36081	1.3
265.05093	1.8
267.03030	4.4
267.06625	5.6
268.03665	1.2
269.04605	30.9
273.04834	1.6
273.07703	15.5
277.05057	1.8
279.03024	2.6
281.04660	5.8
281.08072	2.5
283.06128	5.0
291.06653	1.4
293.04562	5.5
295.06070	1.8
299.05371	2.0
305.04718	1.5
309.04031	1.8
311.05682	5.7
313.07260	1.3
319.06104	1.9
365.10443	1.6
375.05017	2.5
391.08353	5.9
395.07779	64.2
396.08206	1.5
399.05026	1.5
407.07648	12.0
421.09326	5.8
434.06638	1.9
435.11267	1.7
445.09515	2.9
447.10782	6.3
491.09973	1.9
509.10950	7.6
525.07867	14.4
543.09650	29.9
557.11017	8.5
569.11060	20.9
631.10907	5.4
661.13995	4.7
679.14819	54.3
707.14227	1.7
843.19434	5.7
905.19293	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	902.514
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	94.5
78.95926	100.0
101.02413	94.6
109.77067	65.4
117.82120	73.9
119.56828	73.2
125.02438	75.2
132.96759	70.1
162.23000	78.9
171.10283	97.5
249.78020	94.2
258.94247	78.5
277.21774	95.1
459.73593	97.3
555.17450	85.7
574.72644	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69709	3.6
63.75717	4.7
71.01373	5.6
75.00877	21.6
75.60501	3.7
81.03469	7.0
83.01408	9.3
85.02895	6.3
89.02482	4.6
93.03442	20.2
96.95990	4.7
97.02966	26.1
99.00875	5.2
101.02459	6.4
107.05038	4.6
109.02925	34.7
113.02402	4.9
114.37819	4.5
117.03484	5.5
121.02935	30.5
122.03736	5.4
123.04542	39.1
125.02433	100.0
129.01949	28.6
133.02968	23.7
135.04494	30.6
137.02454	49.4
139.03992	5.9
145.02948	6.7
147.04526	23.9
149.02478	63.7
151.03996	33.1
153.01947	7.1
155.04919	5.2
157.02815	4.5
159.02991	8.8
159.04495	7.8
161.02472	70.9
161.06129	6.6
163.00410	55.5
163.04013	31.2
164.01144	24.1
165.01974	38.8
165.05635	5.6
167.03488	4.5
171.04591	8.2
173.06038	8.1
175.03996	24.8
176.01117	23.1
177.01944	65.2
178.02654	8.5
179.03522	18.1
179.60222	4.6
183.04428	7.5
185.06030	7.4
187.04015	18.5
187.07642	16.6
189.01936	16.0
189.05502	8.1
191.03490	9.2
195.05092	58.1
196.05347	4.6
197.06068	8.7
199.03999	7.5
199.07635	6.5
201.05748	5.4
202.99759	6.7
205.01459	26.3
205.05011	7.0
209.04625	5.1
211.04008	6.0
211.07632	4.8
213.05566	6.4
215.07201	9.2
217.05128	7.8
217.08731	4.7
225.05659	9.0
227.03528	8.5
227.07315	8.1
229.05081	6.6
229.08766	44.2
240.04218	6.0
241.04994	33.9
242.05766	4.8
243.02797	15.5
243.06641	6.0
247.50398	4.3
253.05223	6.9
255.02974	45.2
255.06647	26.5
256.03720	8.9
257.08133	6.6
267.02930	4.8
268.03610	6.4
269.04578	59.9
271.05954	7.0
281.04370	13.6
283.02554	7.3
283.06049	18.7
285.07523	6.1
291.06750	8.2
293.04489	6.6
295.06250	6.2
301.07211	24.8
309.04013	9.2
311.05698	5.5
313.07220	8.1
321.03894	4.7
323.05890	5.4
329.06860	8.9
339.04935	6.4
357.06183	16.8
373.07306	4.5
395.08060	33.8
407.07797	34.7
434.06876	15.6
435.07214	29.0
445.09082	6.9
453.09937	8.0
465.11960	6.2
509.11038	49.8
525.08209	34.9
541.11560	23.7
543.09064	45.0
553.11652	19.0
571.12207	37.4
597.10535	6.7
615.11688	54.0
677.13306	60.4
695.14386	52.3
867.45160	6.4
905.20697	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	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	14.2
72.89941	1.4
73.02964	2.8
83.05047	7.7
85.02973	3.3
87.00906	2.1
89.02459	16.2
97.02949	2.2
101.02435	14.1
112.30281	1.5
113.02445	7.8
113.97303	1.3
119.03446	1.9
125.02457	6.1
149.02379	1.6
161.04622	3.3
163.11299	7.8
165.25810	1.5
171.10263	2.0
179.05663	2.0
195.13911	9.8
209.11858	96.9
223.13387	8.3
227.12871	10.3
235.08247	3.3
253.09270	1.6
275.20142	6.5
285.34921	1.5
293.21265	100.0
316.56351	1.5
327.69589	1.7
397.13568	28.3
415.14703	10.3
435.52853	1.7
635.86536	1.9
748.85681	1.7
759.01270	1.5
827.38092	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	901.481
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87244	0.7
69.03452	0.9
71.01378	14.0
73.02946	1.7
80.02727	1.1
81.03477	1.4
83.01402	3.3
83.05036	6.1
84.96042	0.6
85.02972	2.8
87.00879	3.8
89.02441	14.7
92.10828	2.9
95.01391	0.8
95.04996	0.9
97.02953	1.7
97.06605	0.9
101.02439	12.5
113.02450	6.0
119.03526	3.3
124.46477	0.7
125.02393	5.4
125.06128	0.6
142.32179	0.7
143.03453	1.5
161.04469	1.3
163.11325	5.3
165.12859	4.7
179.05617	1.2
195.13892	7.2
209.11856	100.0
212.74353	0.7
221.06693	1.4
223.13399	4.9
227.12947	6.5
228.13690	1.1
235.08098	5.1
275.20209	5.3
293.21268	82.0
294.21539	1.6
379.12610	2.7
397.13519	31.1
415.14569	9.9
547.90363	0.8
607.25848	3.6
699.27155	0.7
754.68237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47880	0.4
71.01385	5.6
71.69353	0.4
72.99323	0.9
73.02950	2.1
73.19189	0.5
75.00869	26.5
76.86046	0.4
81.03451	0.9
83.01388	2.1
85.02946	6.8
87.00877	4.9
89.02449	2.8
99.00889	7.4
99.04510	0.5
101.02441	10.1
101.06097	1.8
103.21137	0.4
105.03521	0.7
109.02972	2.5
111.00883	3.8
113.02461	2.0
117.03484	0.8
119.03474	0.5
121.02989	0.5
125.02430	2.0
125.45208	0.4
129.01944	49.2
133.02950	15.3
134.03757	0.7
135.04523	7.5
137.02377	0.7
147.04507	1.1
149.02495	0.7
149.06044	0.9
159.03009	13.5
159.04355	0.9
161.02451	26.5
163.04019	2.1
163.57056	0.5
172.05338	1.8
173.05995	0.7
175.04074	0.8
177.02036	0.5
177.04039	2.5
177.05577	1.8
179.03497	6.7
181.08710	2.5
183.04536	0.6
187.07643	15.5
191.03537	0.8
192.92651	0.6
193.01483	0.9
195.05115	100.0
199.04062	1.1
201.01968	0.9
201.05591	0.7
202.06329	3.8
203.03448	0.8
203.07199	0.8
211.07576	0.5
213.09258	3.9
215.07201	1.0
221.04535	2.4
228.04207	0.6
229.08694	0.9
231.06784	0.6
231.10281	6.5
251.05800	0.9
257.08307	5.7
275.09274	10.9
281.06796	3.8
284.03378	4.2
285.04019	3.3
291.07144	1.1
297.04004	7.8
298.04874	4.8
299.05637	8.8
311.05664	0.7
327.05154	41.0
328.05423	1.9
339.05154	0.9
341.08707	2.4
357.06250	10.7
357.10315	0.9
409.11447	0.7
447.09384	22.1
448.09976	0.7
453.09924	11.7
453.14334	16.9
468.53622	0.5
509.52090	0.5
519.80237	0.5
715.43707	0.6
772.05273	0.6
807.88617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14373	0.4
71.01379	5.2
72.99316	1.8
73.02946	0.9
74.48811	0.4
75.00866	27.0
80.26385	0.4
81.03444	0.5
83.01390	0.9
85.02948	5.9
87.00874	4.3
89.02447	2.6
92.65741	0.5
97.02940	0.6
99.00863	8.4
99.04517	0.5
101.02435	10.7
101.06068	0.9
105.03529	0.5
109.02967	2.1
111.00905	3.4
113.02429	0.9
121.02906	0.6
123.04601	0.5
125.02423	0.9
129.01938	48.8
133.02953	14.0
134.03728	1.8
135.04536	7.2
137.02408	0.7
147.04504	0.6
149.05989	1.7
151.04044	0.5
158.03928	0.5
159.03000	11.7
159.04323	0.7
161.02441	27.7
162.02911	0.6
163.00426	0.9
163.04008	0.9
165.01920	1.8
172.05298	0.6
174.06898	0.6
175.04028	2.3
177.04053	2.9
177.05504	1.5
179.03513	6.7
179.51180	0.4
181.08714	1.8
184.05446	0.5
185.06036	0.5
187.04050	0.7
187.07661	16.7
191.03387	0.6
195.05107	100.0
198.06723	0.5
199.04004	0.7
200.04771	0.7
201.05673	0.7
202.06371	3.4
203.07117	2.2
203.10803	0.7
206.80545	0.4
207.89798	0.5
213.09140	3.2
215.07158	2.0
221.04530	2.7
227.03535	0.9
228.04231	0.7
229.08768	0.6
231.06746	0.6
231.10266	5.6
255.03018	0.7
257.08240	5.1
269.04593	0.8
275.09283	11.2
281.06790	3.2
284.03204	4.7
285.04022	2.3
289.07257	0.6
291.07251	2.3
297.03986	7.5
297.06747	0.4
298.04800	5.4
299.05600	10.8
311.05447	0.5
324.02689	0.5
327.05148	39.2
339.05154	0.9
341.09174	3.6
357.06189	8.9
369.06058	0.9
393.06696	0.5
409.11505	0.8
447.09418	23.5
453.09641	9.0
453.14154	22.5
587.25818	0.5
597.05475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31974	1.3
71.01379	6.6
85.02934	10.2
87.00893	1.7
89.02429	2.1
97.06599	1.9
101.02442	5.4
107.01112	1.2
109.83611	1.3
111.08131	1.4
113.02432	1.9
138.87938	1.3
147.94095	1.4
161.04471	2.9
171.10263	29.5
183.13841	2.0
195.13847	9.5
209.11853	2.0
211.13463	19.9
221.11946	2.0
223.13448	2.7
229.14458	11.1
235.08231	5.7
253.09305	31.4
275.20090	9.1
291.19641	7.2
293.21271	100.0
309.20764	7.5
327.21820	74.7
327.25687	2.9
529.30005	2.4
542.94653	1.5
563.30743	7.0
603.42889	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	5.0
70.11754	0.4
70.73284	0.4
71.01385	15.6
71.05029	2.5
72.99313	1.6
73.02962	1.9
77.75865	0.4
79.43774	0.5
80.96535	0.8
81.03452	0.5
83.01408	1.7
84.76840	0.4
85.02975	3.7
87.00886	3.1
89.02444	13.1
95.01369	1.7
97.02967	1.7
99.00887	0.6
101.02443	12.9
108.31628	0.4
111.04527	0.6
113.02453	4.3
116.92865	0.8
119.03513	3.9
123.08149	0.6
125.02431	3.4
125.09715	3.2
137.09792	0.6
143.03450	0.9
151.11270	2.8
153.12831	1.8
161.04587	2.7
161.09712	3.3
173.11064	0.5
179.05609	0.6
179.10805	5.8
197.11847	91.1
221.06703	4.6
223.09990	0.4
235.08238	0.8
241.10849	4.2
244.32359	0.5
259.20956	0.5
277.21719	27.7
293.21115	0.6
391.86496	0.4
397.13525	1.8
415.14764	0.5
731.56335	0.4
899.46533	100.0
900.46198	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	899.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55892	2.4
69.03484	3.7
71.01379	73.5
73.02952	24.4
83.01413	16.2
83.05039	2.7
83.33094	2.5
85.02946	39.8
89.02454	24.0
89.36738	2.6
93.03483	5.1
95.01379	4.9
99.00921	5.9
101.02444	59.0
111.04546	4.4
111.12615	2.7
111.45416	2.4
113.02450	32.4
119.03536	5.7
121.02962	12.4
125.02451	16.4
130.37041	2.7
133.02928	4.2
135.04555	3.8
143.03542	4.0
149.06186	3.8
159.02905	2.9
161.02457	3.6
161.04573	18.1
161.82368	2.7
254.85995	3.0
308.13553	2.7
323.09702	6.2
510.74295	3.3
515.30188	12.8
564.26056	2.8
677.35535	15.8
839.40692	100.0
840.41290	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	899.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	7.9
71.01381	16.2
71.05025	1.2
72.99335	0.9
73.02943	2.5
75.59800	0.6
77.17710	0.6
79.69205	0.7
80.96531	0.8
83.01389	2.9
83.05019	1.0
85.02965	3.0
87.00867	3.8
89.02453	13.6
95.01395	0.7
97.02946	2.8
97.06562	0.8
99.00845	0.9
101.02445	13.8
103.47669	0.6
109.02940	0.8
113.02465	5.7
116.92907	0.7
119.03496	3.5
123.08150	0.8
125.02452	3.2
125.09734	2.8
151.11325	5.2
153.12941	0.9
161.04575	1.2
161.09738	4.2
163.74005	0.8
179.10799	7.1
197.11856	60.7
221.06651	2.9
223.09702	1.2
235.08133	1.4
241.10846	1.6
266.65240	0.6
270.01904	0.8
277.21762	55.2
309.20721	1.4
310.20935	1.2
332.24426	0.7
397.13678	1.1
664.40118	0.8
769.03900	0.8
899.46558	100.0
900.47131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.3
71.01388	9.7
71.48843	1.0
75.00887	7.0
81.03484	2.1
83.01392	4.8
84.68686	1.1
85.02956	25.4
87.00880	4.7
89.02467	1.7
92.09998	1.9
97.02927	1.5
99.00899	1.5
99.04501	1.8
101.02435	11.6
107.01389	1.9
108.02204	1.4
109.02950	48.2
111.00866	12.8
113.02467	2.1
123.00892	1.6
123.04489	1.2
125.02452	2.4
127.03972	1.6
129.01936	23.6
133.02968	2.2
135.04503	9.8
151.00330	11.1
151.04062	1.7
152.01167	23.5
153.01939	84.6
158.03743	2.5
159.03104	2.1
159.04509	9.0
161.02443	17.2
173.06178	2.0
174.06854	1.4
174.50269	1.2
175.04076	1.3
175.07632	1.5
175.95737	1.4
176.04808	2.4
177.01843	1.5
177.04074	4.7
177.05586	11.8
177.09247	6.0
179.03496	8.6
187.04021	1.9
187.07639	22.6
191.20163	1.0
191.35962	1.2
194.02155	8.7
195.03008	80.2
195.05049	14.1
202.06430	5.6
203.03546	2.2
203.10750	5.3
205.08730	6.1
213.09308	1.5
221.04674	6.1
222.28023	1.2
224.03287	1.7
225.04005	2.7
231.10323	14.8
249.11316	10.6
254.04393	6.7
255.05110	76.7
263.05591	11.1
275.09271	42.5
291.07224	1.9
293.10382	5.1
297.06293	8.7
315.07214	2.3
323.07861	7.1
341.08862	1.6
383.09869	6.8
427.08847	100.0
428.09186	2.2
453.14566	10.6
465.38251	1.3
471.15378	17.4
510.05554	1.3
612.45441	1.5
737.39880	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	899.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31974	0.2
69.26797	0.2
76.79779	0.2
77.03934	1.5
79.01904	0.3
82.55262	0.2
82.97186	0.2
85.02975	0.3
89.73785	0.2
93.03445	1.8
105.03484	1.0
107.01430	0.2
117.03458	7.9
117.04249	0.3
119.05048	0.9
121.02969	1.7
123.04498	0.4
135.04512	2.3
135.56816	0.2
137.02432	0.3
147.04588	0.3
148.01762	0.3
149.02448	2.2
158.15672	0.2
159.04489	2.3
161.02440	3.7
163.00385	0.4
163.04030	4.2
165.01903	0.4
169.06610	0.2
173.02452	0.9
179.03574	0.8
191.03749	2.1
191.05501	2.3
193.01498	0.5
195.08098	0.4
196.05396	0.4
197.06108	0.9
203.03540	1.0
211.07690	0.9
215.07146	0.9
217.01460	0.3
223.07695	0.2
225.05595	0.3
239.07169	1.5
243.06660	0.3
253.05223	0.4
255.06812	0.3
267.06552	0.2
268.03711	2.6
269.04608	3.0
281.04553	3.3
282.05389	1.4
283.06146	60.4
284.06516	1.0
293.04553	2.5
295.06116	1.3
309.04114	0.5
311.05655	100.0
312.05957	1.5
314.04349	0.4
323.05737	4.3
341.06696	9.8
353.06662	0.4
431.09869	89.8
432.10309	1.9
449.14587	0.9
467.16095	0.4
474.72134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	2.6
78.95883	1.8
85.02994	1.7
87.00876	3.1
88.40031	1.6
89.02454	3.5
92.94554	1.7
101.02463	3.0
107.18359	1.7
109.63008	1.7
111.08170	16.9
116.92908	7.4
125.67463	1.9
149.32129	1.7
169.12372	7.8
175.02570	2.1
179.89354	1.7
181.12408	2.0
184.90329	1.7
192.49971	1.8
197.11844	75.6
197.43842	1.9
199.13475	3.4
211.06396	1.8
211.13368	11.6
234.64003	1.8
253.09311	22.8
263.20282	4.3
291.19675	23.7
309.20764	100.0
545.29865	6.7
608.21564	2.1
891.64423	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	897.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85448	0.7
65.73063	0.6
67.54524	0.6
69.03472	4.1
71.01377	19.4
71.01733	1.2
71.05035	0.8
72.99322	1.3
73.02948	3.0
76.38007	0.7
81.03440	1.2
83.01405	1.2
83.05019	0.9
85.02979	4.7
87.00886	3.5
89.02440	18.4
93.21923	0.8
95.01385	1.1
97.02925	1.8
99.00910	1.1
99.45790	0.7
101.02443	14.1
109.02965	1.1
113.02440	7.9
116.92840	3.3
119.03495	3.5
125.02431	5.2
129.24458	0.7
143.03529	1.5
161.04573	3.3
167.10736	4.2
171.10268	0.9
179.05594	3.4
179.10750	1.4
179.14401	4.4
195.13928	22.3
205.12357	9.8
209.41960	0.7
211.13304	1.2
221.06668	1.4
223.13425	68.4
224.13768	0.9
235.08266	4.2
253.09206	1.7
256.13211	1.1
258.44055	0.7
263.07520	0.9
275.20215	6.9
287.07730	1.0
291.19659	8.5
293.21262	100.0
294.21494	1.5
309.20990	1.0
327.21588	1.2
379.12326	1.4
397.13544	28.6
415.14664	9.7
527.29218	1.2
603.26599	2.8
621.27875	9.7
691.35504	1.7
816.27869	0.9
897.48022	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	897.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00887	14.2
89.02437	14.5
92.10786	42.6
94.31557	11.8
101.02437	17.9
109.06604	11.6
116.92876	20.0
163.11282	19.3
176.24045	14.5
207.10327	77.3
209.11813	13.2
225.11340	24.6
255.23317	27.5
276.37521	12.7
277.21707	24.5
351.31778	11.6
394.41376	12.4
397.13605	26.6
663.40442	15.3
861.48651	100.0
897.46967	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69849	1.9
72.99329	20.7
87.00932	2.1
96.48741	2.3
101.02458	2.5
106.06571	2.3
109.02971	3.5
110.50942	2.2
124.04051	4.0
124.07668	27.0
125.02465	4.2
131.50801	2.3
133.02901	2.1
134.06122	2.8
136.07646	9.5
146.06148	5.0
153.01930	3.5
161.02429	3.6
162.05623	15.7
163.06311	3.1
173.07159	2.2
174.05565	2.8
178.04970	2.7
179.05951	2.8
181.04990	2.3
184.07648	2.9
186.09125	2.4
188.07243	3.9
200.07159	4.6
201.07959	5.2
201.10246	2.4
202.08813	7.4
212.07224	2.8
213.10284	3.3
214.08810	3.3
223.08719	2.0
225.10350	2.3
226.08870	4.2
226.11012	7.4
227.08047	7.4
227.11798	2.8
230.08278	3.6
239.08482	4.4
241.09790	5.1
241.13507	24.2
243.15034	11.2
245.09094	3.0
251.08241	8.8
252.09053	41.6
253.09839	32.2
254.10571	17.5
255.07800	5.1
255.11295	2.4
257.09323	8.6
259.08527	5.2
261.08759	3.7
265.09763	3.3
269.09308	29.2
269.12878	9.6
270.10114	69.4
271.07465	4.2
271.10873	31.2
272.08157	4.2
272.11551	2.4
276.08609	2.9
281.09311	4.2
282.10077	8.8
284.07907	11.1
285.12473	13.2
286.09613	13.3
286.13016	2.5
287.14050	57.0
291.40979	2.9
300.11041	5.3
302.09097	56.3
314.09198	3.5
329.15097	4.2
376.16574	10.5
378.14462	4.3
388.16656	3.4
392.16251	3.8
393.16779	4.0
513.25037	26.3
514.25122	2.8
539.22961	3.0
557.23987	2.9
587.24805	9.4
590.55463	2.8
605.26245	20.3
631.24139	13.8
649.25128	12.6
761.30743	18.5
766.27869	4.8
835.30298	10.8
853.31635	100.0
854.32080	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	895.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29071	11.7
78.95926	10.5
80.96540	12.0
93.71223	13.2
116.92852	14.3
137.03180	13.8
168.73854	11.7
181.16277	10.1
197.60336	10.6
223.13446	50.3
255.23370	46.1
299.50742	16.0
621.28241	20.7
702.60089	14.8
834.36725	15.0
895.49542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15814	3.2
72.99332	21.6
85.03012	3.2
87.39385	2.9
93.44447	3.4
95.63369	2.9
113.02460	3.3
118.06627	7.0
124.04089	4.8
124.07693	42.3
124.84799	3.0
129.76964	3.3
131.42957	3.1
136.04083	4.4
136.07716	5.3
138.80821	3.4
146.06168	7.1
162.05609	14.2
163.06488	3.6
172.07628	3.7
179.06111	3.2
184.07759	5.0
200.07191	6.0
200.09576	3.6
201.08037	14.8
202.08788	7.0
205.97859	3.9
214.08893	4.3
225.10353	4.8
226.09065	4.1
226.11133	6.5
227.08122	5.5
230.08258	4.6
241.13495	27.9
243.15057	15.3
251.08217	6.4
252.09111	43.4
253.09795	37.5
254.10616	14.6
255.07863	7.5
255.11481	5.8
259.08618	4.7
269.09421	36.3
269.12164	4.3
270.10172	88.1
271.10788	27.7
272.07938	4.9
283.07352	4.1
283.10989	5.2
284.08087	13.2
285.12512	6.3
286.09540	5.3
287.14041	66.8
302.09079	65.0
314.09207	5.1
329.15030	6.5
376.16574	4.3
392.16116	6.0
393.17169	5.1
507.83545	3.9
513.25104	20.9
557.23926	13.0
587.25189	5.0
605.26385	7.2
612.19971	3.7
631.24176	12.8
649.25696	7.0
761.30188	19.5
835.30060	6.4
853.31567	100.0
929.91229	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	895.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66004	0.9
69.03469	1.0
71.89731	0.9
76.71251	0.8
81.03448	2.1
83.01397	7.6
85.02905	0.9
91.53634	0.9
93.03476	2.2
95.01382	2.3
95.05035	1.8
96.96014	4.2
97.02946	4.7
105.03455	1.1
107.05025	1.3
108.02227	1.4
109.02969	21.6
111.04517	3.8
113.02519	1.1
121.02934	6.2
121.39005	1.1
123.00904	7.8
123.04520	1.9
124.01656	4.5
125.02450	100.0
133.02982	8.2
135.00894	2.0
135.04521	5.2
137.01433	2.1
137.02452	50.2
138.03217	1.3
139.04018	13.7
145.02963	1.4
147.00891	10.8
147.04514	1.8
149.02455	12.7
149.06065	1.2
151.04025	7.4
158.03737	1.1
159.04500	4.2
161.02448	30.2
161.06105	1.6
161.44380	1.0
162.03217	1.9
162.84740	1.0
163.00388	25.8
163.04016	5.5
164.01158	10.8
165.01950	17.8
167.03522	17.2
167.04962	1.5
173.02487	1.2
173.06024	2.0
174.03214	1.1
175.00404	20.8
175.04033	18.0
176.01129	4.5
177.01944	28.7
177.05490	4.9
178.02658	0.9
179.03543	14.3
183.04468	1.3
185.02429	1.0
185.06099	1.2
187.04030	8.5
189.01970	5.3
189.05620	4.2
190.02667	1.8
191.03505	18.4
198.03323	1.2
199.03998	6.9
201.02058	7.3
201.05530	1.5
202.02779	1.1
203.03508	5.0
203.07121	1.6
204.00560	1.0
204.04309	2.4
205.01399	6.2
205.04982	3.6
211.04004	2.3
213.01892	1.2
213.05600	1.7
215.03549	11.9
215.07166	1.2
217.01463	5.5
217.05101	4.4
219.02983	5.0
219.06660	9.9
221.04648	7.2
225.05449	1.7
227.03500	5.5
228.04492	1.2
229.05083	6.4
231.02972	2.0
233.04568	7.9
239.03381	1.8
241.05067	4.4
243.03008	20.0
243.06583	1.8
244.03619	1.6
245.04559	6.5
255.03035	18.4
256.03738	4.2
257.04657	6.8
259.02493	1.1
261.04095	2.0
261.07645	4.4
269.04590	5.2
271.02512	4.4
273.04135	1.9
279.03201	1.5
281.04330	3.5
282.01733	1.6
283.02551	11.8
285.04059	6.2
287.02310	2.4
287.05664	8.3
288.02655	1.6
289.03577	2.1
289.07242	4.6
293.04562	1.4
297.04367	6.9
299.02225	2.5
299.05643	9.6
300.02927	1.5
301.03583	51.0
302.04147	1.3
305.06747	52.9
323.05655	4.2
353.85703	1.3
391.04611	4.5
423.07141	11.6
427.06824	39.3
427.12613	1.5
428.06805	1.3
441.08334	1.9
451.06683	1.6
463.06805	5.5
467.09958	22.2
483.24850	1.1
541.07666	2.0
547.09131	1.8
557.07312	1.4
571.09180	1.3
575.08209	6.4
589.09711	7.6
593.13507	3.2
599.08276	2.2
725.11688	7.2
727.13440	1.9
743.13251	6.7
895.16797	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	891.458
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19834	0.4
66.28580	0.4
67.12676	0.4
67.67439	0.3
68.60416	0.5
70.17030	0.4
91.29672	0.4
99.92578	7.2
108.18497	0.4
114.93391	0.5
116.92855	100.0
117.92892	0.9
122.61150	0.4
219.06248	0.4
279.83673	0.5
376.49277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24097	0.8
66.43191	0.9
69.03460	1.9
71.01381	12.0
76.81445	0.8
81.03442	1.3
83.01384	1.2
83.05010	7.3
85.02948	4.0
87.00868	1.8
89.02448	13.1
92.10750	1.4
95.04996	1.7
97.02966	1.3
101.02450	9.3
104.53236	0.8
109.02992	1.7
109.67096	1.0
113.02436	6.9
119.03471	3.3
125.02455	5.0
143.03505	1.7
161.04654	1.2
163.11272	4.5
165.12859	2.1
167.10728	1.1
179.05624	1.9
179.14388	1.3
195.13895	5.3
205.12375	5.9
209.11858	100.0
221.06520	1.1
223.11284	2.0
223.13416	44.1
227.12946	10.4
229.38458	1.0
235.08290	2.1
379.12527	2.3
397.13510	23.1
408.52438	1.0
415.14630	7.7
495.86148	1.0
607.26074	4.7
621.27747	4.1
653.73285	1.2
687.94135	1.0
813.39050	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	891.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.7
69.03468	1.0
71.01389	4.3
72.92126	0.7
81.03477	3.2
82.45176	0.6
83.01423	1.5
85.02952	13.4
89.02457	1.3
97.02969	0.9
99.00906	1.3
99.04527	1.0
101.02447	6.7
107.01406	0.7
108.02233	0.9
109.02960	28.4
109.03689	1.2
111.00874	9.0
113.02442	1.4
121.02946	1.2
123.00916	1.1
123.04537	1.0
124.01671	1.3
125.02441	3.1
127.04015	0.9
129.01952	14.8
137.02393	1.4
149.02429	0.7
151.00401	6.6
151.04034	1.4
152.01155	13.8
153.01944	55.5
159.04562	2.7
161.02403	1.5
167.03522	1.0
177.04164	1.4
177.05539	9.3
194.02161	6.2
195.03004	48.8
221.04594	3.6
224.03281	1.3
225.04085	3.1
235.24437	0.8
254.04343	5.0
254.22861	0.8
255.05113	55.2
256.05518	1.0
258.09653	0.8
263.05606	8.0
291.07190	0.8
297.06009	5.9
323.07761	7.0
383.10049	1.6
427.08887	100.0
428.09421	3.5
466.21155	0.8
905.96631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.7
69.03468	1.0
71.01389	4.3
72.92126	0.7
81.03477	3.2
82.45176	0.6
83.01423	1.5
85.02952	13.4
89.02457	1.3
97.02969	0.9
99.00906	1.3
99.04527	1.0
101.02447	6.7
107.01406	0.7
108.02233	0.9
109.02960	28.4
109.03689	1.2
111.00874	9.0
113.02442	1.4
121.02946	1.2
123.00916	1.1
123.04537	1.0
124.01671	1.3
125.02441	3.1
127.04015	0.9
129.01952	14.8
137.02393	1.4
149.02429	0.7
151.00401	6.6
151.04034	1.4
152.01155	13.8
153.01944	55.5
159.04562	2.7
161.02403	1.5
167.03522	1.0
177.04164	1.4
177.05539	9.3
194.02161	6.2
195.03004	48.8
221.04594	3.6
224.03281	1.3
225.04085	3.1
235.24437	0.8
254.04343	5.0
254.22861	0.8
255.05113	55.2
256.05518	1.0
258.09653	0.8
263.05606	8.0
291.07190	0.8
297.06009	5.9
323.07761	7.0
383.10049	1.6
427.08887	100.0
428.09421	3.5
466.21155	0.8
905.96631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5104
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
62.73053	20.1
64.35010	26.3
94.75551	27.8
103.93346	28.0
293.21298	100.0
341.23221	44.9
591.89264	27.7
740.86255	26.7
889.50500	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	17.8
64.18875	11.5
67.14645	12.0
74.67966	11.8
92.66258	12.9
100.67398	11.6
116.92856	15.1
122.68967	13.8
147.04253	13.3
168.36215	13.7
209.11769	17.2
240.82278	11.8
260.89709	14.6
291.19647	56.2
307.19156	80.3
309.20688	100.0
325.20123	21.1
458.19745	15.4
527.04138	17.7
543.28528	28.0
728.17780	14.3
835.48438	28.3
874.72571	15.9
889.46613	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83606	15.3
81.94633	15.8
82.84604	19.8
91.00381	15.4
95.54528	18.2
103.41061	15.4
109.02966	17.5
116.92871	39.6
209.11937	25.1
220.19606	15.4
256.38837	17.3
265.85321	21.0
291.19809	20.4
307.19186	75.6
309.20740	71.7
327.21811	17.8
374.08826	17.0
543.28192	20.5
767.86865	22.1
835.48993	73.8
858.10828	19.1
889.47174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	4.6
73.02965	0.8
75.65678	0.6
78.05819	0.5
80.17485	0.5
81.03487	3.4
83.01414	2.6
85.02946	14.7
87.00887	2.5
89.02461	1.0
95.01392	1.0
99.04530	1.6
99.14921	0.6
101.02436	25.1
101.03090	0.9
101.64069	0.6
107.01415	0.9
108.02213	1.6
109.02951	27.6
111.00887	6.1
112.18510	0.7
113.02478	3.1
121.02993	0.8
123.00888	2.5
123.04507	0.9
123.78535	0.7
124.01673	1.2
125.02457	4.8
127.04028	1.4
129.01939	77.1
135.00887	1.5
135.04521	2.6
137.02420	0.9
147.04547	0.8
149.02393	0.6
151.00351	4.8
151.04002	1.1
152.01160	12.7
153.01936	47.6
155.25713	0.7
159.04492	2.2
161.02422	1.3
165.01915	0.9
167.03551	1.0
172.42534	0.8
175.04027	1.2
177.04062	4.9
177.05605	5.1
179.03467	1.5
194.02173	5.4
195.02988	44.2
197.82500	0.6
221.04648	1.2
225.04022	1.5
254.04361	4.5
255.05107	34.9
263.05603	6.7
275.09326	0.9
297.06198	3.5
315.07251	1.6
323.07913	4.6
383.09970	4.9
427.08850	100.0
428.09314	2.8
675.13733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4641
Annotation	Nostophycin
Peak:m/z	Relative Intensity
71.01389	18.6
83.01396	2.5
85.02961	4.0
86.52345	2.4
87.00841	2.4
89.02470	15.7
90.93001	2.5
97.06535	3.0
101.02470	10.4
103.55935	2.5
113.02449	9.9
116.92878	3.5
125.02396	4.4
139.71661	2.5
151.11301	18.3
169.11006	5.3
169.12352	100.0
189.11679	3.0
195.13885	4.5
213.11371	16.3
221.06813	3.6
221.98685	3.1
293.21222	12.0
309.20990	3.0
397.13507	4.2
887.46588	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68970	1.8
62.38712	1.7
74.69402	2.9
81.03445	3.6
83.01411	10.2
92.10822	4.8
93.03453	30.5
95.01353	2.6
95.05018	3.6
95.30827	1.9
97.02953	27.9
105.03461	2.5
107.05008	16.9
109.02953	11.9
111.42753	2.2
117.03480	8.1
119.05017	10.6
121.02950	24.9
123.04463	16.6
124.01675	4.2
125.02437	78.3
131.04991	3.8
133.02936	24.7
134.03735	5.3
135.04529	33.9
137.02449	48.4
143.05075	3.4
145.02963	2.9
145.06575	2.9
147.00925	3.6
147.04546	19.3
148.01642	2.8
149.02444	70.4
151.04013	24.8
153.01843	4.5
156.05763	2.1
159.04509	11.0
159.89726	2.6
161.01233	3.9
161.02452	53.6
161.06041	9.3
162.02905	3.2
163.00374	76.5
163.03995	35.1
164.01155	36.4
165.01935	29.1
166.02649	2.1
167.03558	4.3
169.06593	8.9
171.04520	10.0
173.02415	2.2
173.06023	4.0
175.03973	15.4
176.01158	34.5
177.01942	93.7
178.02763	17.7
179.03523	12.9
180.05858	2.7
181.06549	4.0
183.04507	5.4
185.06104	8.3
187.04036	16.3
187.07623	11.4
189.01909	14.1
189.05569	18.0
190.02721	3.0
191.03484	12.0
195.04713	2.7
197.06081	12.1
199.04010	22.1
199.07663	5.4
201.01950	3.7
201.05627	9.9
202.99857	9.0
203.03568	4.0
204.00761	2.8
205.01457	9.3
207.03029	3.7
209.04561	8.6
211.03975	11.7
211.07707	3.0
212.04779	2.6
213.05568	18.2
214.02733	2.8
215.03462	10.0
215.07124	18.0
217.05086	16.5
219.02925	3.8
223.07367	2.6
225.05562	19.3
227.03444	10.3
227.07137	9.2
229.05061	13.5
231.03088	2.4
231.06610	10.0
237.05591	2.9
239.03421	4.2
239.07201	9.9
240.04280	8.7
241.05032	30.7
242.01982	3.0
242.05695	3.2
243.03088	15.2
243.06819	2.8
251.07076	8.5
252.04301	5.5
253.05022	11.4
255.03027	87.3
255.06671	9.4
256.03781	14.1
257.04575	8.3
257.08148	4.6
265.05093	9.4
267.03107	9.0
267.06747	17.0
268.03772	9.0
269.04596	86.3
269.07593	4.6
271.05920	7.7
277.05139	2.5
279.06573	3.6
281.04691	15.5
281.08072	2.9
282.05157	3.6
283.02615	4.9
283.06097	22.5
291.06689	8.2
293.04764	17.8
295.02719	2.9
295.06058	17.6
301.07156	32.0
303.06558	2.6
307.06390	3.0
308.03326	4.0
309.03998	15.0
311.05698	5.4
312.06396	4.0
313.07227	22.8
319.06079	3.4
325.07028	4.0
331.05887	2.9
339.04803	2.5
344.77859	2.8
346.84253	2.3
347.08936	3.2
357.06177	26.4
373.07339	2.7
375.05139	9.6
387.05255	3.1
391.08466	15.6
394.06876	4.7
395.07797	41.0
399.05072	2.8
407.07730	13.6
408.08420	2.6
419.11813	3.4
421.09363	15.0
431.11136	12.3
434.06470	27.8
435.07275	42.2
445.09421	14.4
447.07233	11.2
449.12299	11.9
453.16040	2.8
467.11331	2.8
475.10489	3.8
489.08389	3.6
493.11530	44.9
499.10156	3.1
525.07916	33.2
527.11334	2.8
534.90076	2.6
541.11523	31.3
543.09406	62.6
553.11566	29.6
571.12335	44.6
579.09137	3.7
597.09955	15.2
615.11646	71.2
661.13849	11.6
679.14606	100.0
688.41852	2.4
691.14490	3.9
764.67743	2.4
827.18243	6.7
889.19672	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	887.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52811	13.3
74.05286	13.3
89.02457	15.0
92.10792	26.7
103.86370	13.2
111.84877	14.2
116.92861	24.1
142.93272	14.2
169.12376	18.1
171.16386	18.0
209.11771	25.5
215.71432	15.5
281.31006	14.5
289.18161	75.0
307.19272	100.0
325.20285	23.1
664.69910	19.0
887.45636	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	4.7
71.01383	13.7
71.05037	0.8
73.02959	2.9
75.19710	0.4
75.61327	0.5
78.26789	0.4
79.10664	0.4
81.03437	0.4
83.01389	1.7
83.05028	0.6
85.02953	3.7
85.06625	0.4
87.00871	3.5
89.02439	15.2
92.10873	0.9
95.01389	1.9
97.02948	2.0
99.00889	0.9
101.02438	12.7
109.06599	0.6
113.02460	7.1
119.03454	4.1
125.02441	4.5
131.03537	0.6
143.03561	1.7
149.09676	0.7
161.04573	2.1
161.13287	0.5
167.10757	5.9
177.12816	0.6
179.05681	3.0
179.10773	2.4
179.14449	5.7
195.13922	15.2
205.12361	13.1
221.06720	0.7
223.13426	100.0
224.13736	1.0
235.08307	3.1
263.07706	0.5
272.79645	0.5
287.07870	0.8
289.89288	0.5
299.15735	0.5
305.08813	0.6
323.09729	0.7
379.12506	2.9
397.13538	19.9
411.25961	0.6
415.14435	4.1
429.26639	1.1
452.07272	0.5
492.19293	0.5
603.26538	13.1
621.27753	17.6
688.31891	0.5
809.39539	4.1
827.41046	5.1
912.54059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66376	0.7
69.03432	0.6
70.89273	0.7
71.01382	19.7
72.99328	1.1
73.02950	3.8
80.02682	1.1
80.96507	5.4
81.03473	3.1
83.01396	4.0
83.05033	4.8
84.02163	1.0
85.02948	5.3
87.00873	3.7
89.02435	18.4
97.02966	2.7
99.00894	0.7
101.02438	13.2
113.02453	7.2
113.03160	0.7
119.03490	3.9
119.39090	0.8
125.02440	4.9
125.06055	1.4
143.03487	1.6
161.04552	3.5
163.11256	4.1
165.12854	1.5
179.05603	3.5
181.12239	1.0
209.11853	100.0
221.06604	0.9
225.00726	0.9
227.12926	10.6
235.08191	4.6
277.21753	60.5
287.07669	1.3
305.08661	1.0
356.70776	0.8
379.12463	4.9
397.13562	30.6
415.14737	6.6
463.30417	0.9
504.47672	0.9
519.82739	0.8
675.35510	0.8
684.03973	0.8
885.46552	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	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56227	3.4
62.17354	3.1
63.16815	3.1
64.34459	2.9
66.81845	3.6
71.01382	14.7
72.07097	4.2
76.36253	3.4
85.02951	8.8
88.15014	3.6
89.02439	7.9
92.36819	3.7
95.05021	5.5
97.06573	5.9
99.00927	4.2
101.02457	6.5
107.05087	5.0
109.02991	5.3
113.02460	4.3
123.08203	4.4
125.06094	22.7
125.09744	9.3
127.11275	4.2
139.07643	16.4
153.09213	15.2
161.04529	4.7
163.11317	7.8
169.08708	18.4
171.10297	62.5
185.11853	8.6
197.11877	16.9
201.11360	74.4
206.55566	4.3
207.10291	5.0
209.11859	100.0
212.56328	4.4
225.11304	4.9
253.09274	18.5
277.38907	4.3
287.16660	5.4
289.18045	17.2
305.17578	22.2
307.19214	72.9
325.20325	28.4
541.26794	5.2
543.28369	8.4
697.38300	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	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34435	0.6
67.01826	0.4
68.26679	0.5
69.03470	0.7
71.00155	0.4
71.01379	13.3
73.02967	2.4
75.43462	0.5
76.08905	0.5
78.95920	0.6
79.79220	0.5
80.02686	0.9
80.96542	2.3
81.03462	2.1
83.01402	2.4
83.05035	5.1
84.02159	0.7
85.02949	4.0
87.00902	3.1
89.02439	13.9
89.02933	0.7
95.01421	0.6
95.05007	0.5
97.02946	2.8
99.00888	0.8
101.02444	11.8
107.63835	0.5
111.65867	0.5
113.02452	6.4
114.14677	0.5
117.74632	0.5
119.03496	2.8
124.94587	0.5
125.02450	5.0
134.89467	0.6
135.08157	0.9
143.03535	1.0
161.04578	2.8
163.11292	4.6
165.12903	3.8
179.05653	3.0
181.12105	0.6
191.10834	1.3
209.11870	100.0
217.66830	0.6
221.06694	1.1
227.12949	8.8
235.08241	5.2
251.12971	0.6
277.21765	41.5
278.22275	0.5
287.07663	0.6
305.08923	1.1
305.17633	1.0
347.27594	0.5
379.12442	4.8
397.13577	27.5
415.14716	6.4
607.26965	0.9
686.57623	0.6
733.38684	0.8
885.46863	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	884.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
75.60797	0.4
78.06293	0.3
85.02955	0.3
114.28796	0.5
116.92867	0.7
130.11807	0.4
144.37613	0.4
169.77504	0.4
174.20432	0.4
197.11812	0.6
224.13676	0.4
291.19391	0.4
392.52258	0.4
401.60684	0.4
848.30243	0.4
884.47870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
63.94009	0.6
68.06196	0.7
68.09608	0.7
80.29860	0.8
90.74270	0.6
92.65250	0.7
277.21973	1.1
278.22006	1.7
513.84033	0.8
884.51208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
78.95922	0.8
87.21990	0.4
106.49226	0.5
142.34337	0.4
145.92775	0.5
234.40770	0.4
461.10022	0.6
612.58801	0.5
884.50824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
75.63761	0.4
77.23102	0.4
77.43752	0.4
80.25515	0.4
81.22165	0.4
94.42931	0.4
150.21480	0.4
181.39186	0.4
293.21268	0.8
294.21512	0.7
374.91818	0.4
451.77448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	80.3
71.01385	10.4
71.55212	2.0
73.02961	2.0
76.57228	2.4
80.96514	3.6
85.02959	7.5
89.02452	5.2
92.10162	2.6
94.52153	2.3
95.16217	2.2
97.06596	2.7
101.02466	8.4
108.75999	2.0
139.99857	2.1
171.10271	26.9
177.66922	2.1
183.13927	4.0
211.13477	16.7
213.14619	2.5
229.14462	9.1
235.08231	13.0
253.09346	28.4
277.21768	100.0
291.19632	4.6
293.21167	3.9
309.20798	18.3
311.22382	4.0
327.21823	80.8
545.29901	3.5
563.30627	2.8
883.50006	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	882.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01385	0.6
78.95914	2.7
80.96529	2.8
85.94328	0.6
96.96974	0.6
111.46069	0.6
140.50534	0.8
171.10248	1.2
211.13493	1.4
241.01201	0.8
277.21808	3.9
293.21204	2.6
293.84518	0.7
294.21671	1.1
296.83307	0.7
309.20856	1.1
311.78464	0.7
327.21857	0.9
882.49945	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	883.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36639	0.2
71.01397	0.6
75.00871	0.4
75.42036	0.2
77.03956	1.9
79.01502	0.3
79.01926	1.2
80.26048	0.2
83.01397	0.3
87.83228	0.2
93.03458	2.6
101.02454	0.3
105.03467	1.5
109.02946	0.6
113.02451	1.0
117.03461	9.9
119.05009	1.3
121.02952	2.8
125.02453	0.6
133.02962	0.6
135.04539	3.7
137.02397	0.4
145.02940	0.6
145.25339	0.3
147.04568	0.4
149.02463	2.5
153.01956	0.6
159.04503	2.4
161.02451	7.7
163.00403	1.1
163.04030	5.3
165.01917	0.5
166.18512	0.3
173.02443	0.4
173.06029	0.4
175.00410	0.4
175.03951	0.4
177.02019	0.4
179.03537	1.2
180.05739	0.3
183.08163	0.4
189.07533	0.3
191.03564	1.8
191.05359	0.3
193.01363	0.3
195.05049	0.5
196.05280	0.4
197.06091	1.3
197.88264	0.3
203.03540	1.5
210.06880	0.3
211.07660	1.0
213.05560	0.3
215.07184	1.4
224.04791	0.6
239.07118	2.8
243.06485	0.4
253.04951	0.6
268.03806	2.8
269.04602	3.1
281.04550	4.0
282.05374	1.8
283.06134	64.4
284.06421	0.4
293.04541	2.9
295.06238	2.2
309.04227	0.5
311.05649	100.0
312.05984	1.7
314.04431	0.6
323.05566	4.6
341.06671	10.7
353.06744	0.3
431.09860	80.3
432.10367	2.0
591.14276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	1.3
71.01398	5.5
73.02959	1.0
78.95915	5.4
79.05856	1.0
80.96526	1.0
85.02969	1.8
87.00883	1.9
89.02486	1.6
96.96976	1.1
101.02461	4.3
113.02502	1.6
127.07693	1.4
152.99577	1.6
153.09212	5.8
161.04581	2.1
162.87285	1.1
163.11238	1.8
171.10269	12.1
197.11824	2.5
209.11856	22.7
211.13583	1.4
235.08223	5.1
241.01228	4.5
245.19252	1.2
253.09265	7.2
255.23312	5.8
277.21744	100.0
278.21964	1.7
289.18115	9.7
307.19183	25.0
325.20303	8.4
327.21738	1.8
453.16763	1.1
525.27045	2.2
543.28076	4.1
734.42273	2.3
803.49646	14.3
821.50781	2.3
881.50745	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	881.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.7
67.62157	1.6
67.97137	1.4
71.01362	12.3
71.31042	1.4
72.77074	1.6
72.99332	1.5
73.02985	2.7
76.92039	1.4
78.95910	19.4
79.95759	1.4
80.96537	6.2
83.05003	5.0
85.02980	6.2
89.02450	6.3
94.30689	1.4
96.96995	6.2
97.06622	2.4
99.08173	1.8
101.02463	6.5
113.02474	2.2
115.07632	2.1
116.63788	1.5
123.04548	2.4
125.09749	7.0
126.02606	1.7
127.07665	2.5
127.11299	2.0
135.08203	1.5
137.09808	1.8
152.99637	2.3
153.09253	16.9
155.10815	2.7
161.04564	1.8
163.11311	7.7
165.12865	2.3
166.71225	1.5
166.77946	1.5
171.10281	28.0
178.10045	2.9
181.12297	1.9
185.11839	10.2
191.10805	2.1
191.14433	2.0
197.11819	13.5
207.10295	1.9
209.11871	97.0
211.13394	7.1
221.11911	2.1
229.14401	3.6
235.08359	2.0
238.12125	1.9
241.01207	13.8
245.19174	3.5
253.09322	11.4
255.23386	12.8
263.20334	2.1
274.52347	1.5
277.21753	100.0
277.24738	3.4
279.19626	1.9
289.18179	27.3
307.19202	98.6
308.19510	1.9
325.20255	26.5
327.21933	6.2
525.27124	7.5
543.28076	28.1
561.29181	7.1
563.46875	2.2
716.17719	1.7
724.81067	1.8
734.42499	3.1
803.49615	32.8
821.50037	7.2
881.50592	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	1.3
69.03484	0.7
71.01380	7.2
71.40544	0.6
72.18174	0.6
73.50829	0.6
79.63291	0.6
80.96526	2.8
85.02971	1.4
87.00916	0.9
87.26578	0.7
87.32185	0.6
88.12363	0.6
89.02485	4.5
92.59267	0.7
101.02463	3.9
109.06615	0.7
111.08173	10.1
113.02467	1.0
116.92850	1.6
161.04500	0.9
164.98645	1.0
169.10786	0.6
169.12360	4.5
179.05562	0.9
181.12416	0.8
195.13930	11.5
196.14590	0.8
197.11845	48.2
199.13503	2.6
211.13448	6.6
223.13399	7.8
225.00836	1.1
227.12888	0.9
228.13881	0.9
235.08290	0.7
253.09306	21.2
256.13123	1.6
263.20288	1.4
275.20151	8.4
291.19714	12.5
293.21274	100.0
294.21426	1.5
309.20770	46.9
529.30231	1.5
545.29779	3.5
578.72260	0.8
585.41693	4.0
639.48157	0.9
881.49231	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	4.3
92.04527	5.0
99.38871	4.5
101.02433	4.5
101.75974	5.0
106.93625	4.8
109.02954	4.1
124.07694	21.3
125.02455	6.7
129.85402	4.2
136.07680	9.2
138.05629	32.5
153.01923	5.5
161.02425	6.3
162.05637	19.2
163.04231	4.2
176.80066	4.9
182.04662	5.0
190.05153	4.5
216.10382	5.1
222.05978	5.9
226.11147	25.8
240.10367	5.5
241.13367	33.7
242.08287	4.6
242.11917	8.8
243.14922	7.0
251.08224	9.7
252.09088	15.9
259.74469	5.1
265.09860	17.8
266.10641	22.8
267.11404	40.3
276.32462	5.5
283.10812	16.4
284.11697	9.7
285.12436	28.8
287.14001	30.4
311.10504	5.6
316.10770	5.7
329.11581	17.8
360.09583	10.0
446.37375	4.9
535.23022	6.1
553.24066	6.2
571.26129	7.9
597.23114	6.9
615.24799	7.3
750.28723	5.5
801.29083	6.2
819.31122	100.0
837.31183	14.7
841.94153	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	879.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07633	1.6
71.01379	8.8
73.74210	1.4
73.93685	1.3
76.61380	1.4
78.95918	1.6
80.96539	2.4
81.28157	1.5
81.44083	1.5
83.01424	2.5
85.02944	1.6
89.02448	6.3
92.65360	1.6
97.02956	2.1
97.06594	3.9
101.02465	7.8
113.02445	3.3
116.92869	2.3
123.04569	2.8
123.08221	2.3
125.09707	6.4
128.10016	1.8
137.09773	1.7
163.11281	8.0
171.10283	8.3
184.92091	2.1
185.11850	9.5
188.20317	1.6
191.14470	6.6
195.13925	7.9
207.10350	6.3
209.11864	13.8
211.13483	3.5
223.13489	7.7
225.11392	7.1
231.20932	1.9
235.08273	2.8
237.11273	2.9
245.19077	15.5
253.09280	20.1
255.23318	8.0
263.20053	2.0
271.17017	2.6
275.20276	7.3
276.14032	1.7
289.18127	72.6
291.19720	2.5
293.21280	100.0
307.19220	64.5
397.13635	2.6
525.26208	2.1
543.27856	2.5
819.48523	2.2
879.48041	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	879.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04603	0.5
69.03474	0.8
78.11251	0.6
81.03463	3.8
83.01395	7.6
85.02980	1.0
92.10085	2.7
93.03454	4.3
95.01394	2.7
95.05000	0.9
97.02937	3.6
105.03467	0.9
107.05066	0.7
108.02172	0.7
109.02954	22.4
111.04526	4.4
119.05009	0.7
121.02943	8.5
123.00875	3.9
123.04527	3.9
124.01665	3.7
125.02445	100.0
126.44240	0.6
131.05020	1.0
133.02989	4.2
135.00900	0.6
135.04486	4.2
137.02451	41.7
138.03227	1.2
139.03999	13.8
143.09479	0.7
145.06494	0.7
147.00862	1.0
147.04518	4.1
149.02458	18.9
149.06094	2.3
151.04028	7.9
153.01952	1.5
159.04506	3.6
160.01579	0.7
161.02457	31.6
161.06068	1.0
162.03175	1.5
162.99144	1.0
163.00392	16.6
163.04054	5.2
164.01178	8.6
165.01961	16.3
165.05698	0.8
167.03519	15.7
170.02077	0.6
171.04474	0.9
173.02425	0.7
173.06119	0.8
174.03261	3.0
175.04001	16.2
175.07669	0.7
176.01122	2.9
177.01955	19.1
177.05533	3.4
178.02650	1.4
179.03510	16.2
183.04495	1.0
185.06137	1.0
187.03984	4.2
187.07637	1.3
188.04773	2.8
189.01898	2.8
189.05562	4.6
190.02696	0.8
191.03513	3.1
191.07103	2.2
193.05016	0.7
196.05197	0.8
197.06084	1.5
199.04008	8.4
200.04765	0.9
201.01945	4.3
201.05620	4.1
203.03523	4.0
203.07141	0.7
204.04254	1.3
205.01511	2.5
205.05019	2.2
211.04060	2.5
213.05501	4.2
215.03488	5.2
215.07019	0.9
217.01495	1.1
217.05067	6.2
219.03017	1.3
219.06612	11.0
221.04466	5.9
225.05739	1.2
227.03546	3.7
227.07091	0.7
229.05049	3.6
231.02963	1.4
231.06587	0.9
239.03453	1.2
240.04172	0.7
241.05101	5.8
242.02252	1.3
243.03040	14.2
243.06554	2.5
244.03691	1.3
245.04524	6.3
245.08235	1.1
247.02538	0.7
251.03387	0.7
253.05124	1.2
255.03003	17.1
256.03766	4.9
257.04578	8.4
261.07700	4.0
267.02972	3.1
269.04584	4.5
271.06003	1.3
272.03403	0.7
275.09409	0.8
276.22595	0.7
279.03061	1.4
280.03610	0.8
281.04672	0.9
282.01837	2.5
283.02512	8.2
284.03284	1.1
285.04077	36.2
287.05627	6.5
287.08389	0.7
288.02762	1.1
289.07156	5.1
293.04663	1.1
295.02414	0.8
297.04089	3.4
299.05591	7.7
301.03568	1.3
305.06738	54.1
307.05997	4.4
309.04147	1.3
317.04575	0.9
345.05951	0.8
349.07190	1.0
359.05664	0.7
375.05066	1.2
405.06299	1.0
411.07303	55.6
423.07224	9.4
447.07458	2.9
451.06696	1.2
467.09891	22.1
531.09302	3.0
541.07831	2.5
559.08679	9.2
573.10455	10.4
583.09192	1.2
639.97540	0.6
709.12061	17.3
710.12683	0.9
711.13153	2.5
713.34943	0.7
727.13525	4.6
879.18207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
80.97774	2.0
81.03492	3.6
81.70483	1.8
83.01406	10.5
85.02981	2.3
87.00856	1.9
92.10112	4.1
93.03477	2.7
95.05045	2.9
96.96018	5.0
97.02885	2.0
108.02184	2.3
109.02959	41.1
117.63738	1.9
119.04998	2.6
121.02945	9.3
123.00856	2.6
123.04543	10.7
125.02436	100.0
129.01936	2.6
133.02982	17.5
135.04558	4.9
137.02429	45.7
138.03242	2.5
139.04037	7.8
147.00807	3.3
149.02446	17.9
149.06113	2.6
150.03282	2.6
151.04008	19.1
152.01164	3.5
153.01947	17.9
159.04524	4.2
161.02438	43.7
162.03227	2.9
163.00397	27.7
163.04008	4.1
164.01187	14.8
165.01927	17.7
167.03549	7.1
173.06146	2.4
174.03270	2.7
175.00420	15.6
175.04007	18.4
176.01152	3.8
177.01941	28.0
177.05536	3.3
179.03477	8.6
187.04050	9.4
188.04742	3.1
189.01910	4.3
191.03470	15.3
195.03056	14.3
195.04768	2.4
199.04062	3.9
201.01935	7.8
201.05627	3.3
203.03474	4.6
203.07191	9.3
205.01471	3.7
205.05092	3.9
211.04013	3.0
213.05629	2.6
215.03539	9.2
217.01608	2.4
217.05081	8.0
227.03523	2.8
227.07121	2.3
229.05099	4.3
233.04536	2.7
241.05009	2.2
243.02972	21.5
245.04581	9.1
245.08191	10.8
251.03256	2.3
253.05066	2.8
255.02943	16.6
255.05077	6.2
256.03864	3.0
257.04544	8.8
267.03094	3.7
269.04517	4.1
271.06348	1.9
273.03998	3.2
283.02512	8.0
285.04120	17.6
287.02267	2.7
287.05615	7.8
288.02850	2.8
289.07214	37.2
299.02441	3.4
299.05643	15.2
301.03555	40.5
305.06827	19.0
323.05560	2.5
407.07724	13.5
411.07162	19.7
423.07224	2.5
425.08801	3.1
427.06635	42.0
451.10309	10.6
467.10004	3.7
553.08344	2.4
575.09021	2.5
577.13177	2.6
589.09875	4.1
709.12335	8.3
727.13300	11.4
879.17603	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	877.481
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34350	0.5
66.02465	0.6
68.59985	0.6
69.03460	2.9
71.01377	15.6
72.65203	0.6
72.99312	0.7
73.02969	0.9
80.96500	0.7
81.03487	0.9
83.01404	1.3
85.02962	3.0
86.23553	0.6
87.00886	3.8
89.02442	14.4
92.15815	0.6
97.02945	2.5
98.40633	0.6
99.00915	0.8
100.35359	0.7
101.02435	11.6
113.02460	5.2
116.92842	1.3
119.03505	3.2
120.85081	0.6
125.02450	2.6
125.09694	1.0
128.23277	0.7
132.71613	0.8
137.09711	0.8
143.03531	1.3
151.11299	1.3
153.12830	1.2
161.04558	1.2
161.09669	3.1
179.05644	1.1
179.10753	6.2
197.11845	96.7
221.06628	5.0
223.09753	1.5
235.08142	1.3
235.17506	0.7
241.10847	6.1
255.23325	49.1
279.63470	0.7
291.19727	1.1
350.66461	0.6
397.13467	2.7
415.14374	0.9
639.25537	0.8
877.48083	100.0
878.48187	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	873.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	30.4
84.59537	18.5
86.31851	20.1
96.06444	28.6
116.92883	47.9
144.22043	19.2
152.99535	31.7
183.99762	22.0
191.88611	22.2
197.11909	35.9
236.62474	21.6
309.20828	100.0
325.05783	20.1
360.12405	20.1
873.46844	43.1
892.98901	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	873.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96243	0.9
69.03477	1.0
71.01389	6.8
73.02953	1.3
78.95894	9.0
78.98573	7.4
79.95732	16.5
80.96513	81.1
85.02969	4.3
87.00870	2.0
88.42098	1.0
94.98077	18.3
94.98589	1.1
96.95995	1.3
96.96920	1.1
99.75403	0.8
101.02425	1.5
105.19554	0.9
106.98111	5.1
108.87732	0.8
115.92158	1.1
122.97598	4.6
125.02441	5.4
134.97580	6.2
136.99161	1.6
141.52077	0.9
148.99153	8.8
152.98581	7.3
152.99713	1.5
162.98830	1.0
164.98622	17.2
179.89281	1.3
196.89531	3.6
200.22173	1.0
206.99715	4.5
214.99478	0.9
225.00771	24.3
241.01141	1.1
255.23363	7.2
277.21750	1.3
301.21695	1.1
537.26935	1.0
614.63300	1.1
785.41815	1.5
873.50690	100.0
874.51752	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	877.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	6.2
71.01382	10.5
71.05038	2.0
73.02946	1.6
75.56380	1.1
78.07792	1.0
85.02948	2.1
87.00887	2.0
89.02460	16.1
92.10783	1.3
92.65418	1.3
93.26616	1.2
98.87649	1.2
101.02434	12.8
113.02453	4.8
116.92867	2.2
119.03520	2.9
123.08098	1.3
125.02502	1.6
125.09724	2.0
143.03317	1.7
151.11308	2.6
161.09712	5.3
179.10799	7.3
183.24063	1.2
197.11855	53.4
221.06734	1.5
241.10847	2.1
255.23326	74.5
330.28152	1.2
480.17270	1.3
537.76581	1.3
877.48090	100.0
878.48779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.479
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90429	45.9
65.78027	46.4
68.89486	50.4
75.00830	50.8
92.66054	53.7
116.92886	98.7
132.57764	52.0
194.86650	52.3
229.79129	54.3
291.19882	69.1
309.20767	100.0
321.30460	59.6
595.65674	60.4
630.42175	59.8
873.48022	75.7
905.39282	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	873.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95930	12.5
116.92865	57.9
117.92844	11.9
133.25627	8.6
136.23216	9.6
140.95512	10.4
149.14117	9.7
155.07283	9.2
171.10306	11.7
209.11848	81.8
253.09340	11.2
289.18283	15.4
291.19833	11.8
293.21365	85.3
307.19113	84.6
309.20963	10.3
325.20285	36.7
368.98868	11.8
543.28552	19.0
819.49536	100.0
837.50317	22.1
873.47437	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.0
65.96521	1.3
71.01388	12.3
72.06110	1.2
73.02938	2.2
73.18643	1.5
75.83442	1.3
81.62646	1.4
82.25587	1.5
85.02975	2.2
89.02452	15.0
90.34856	1.4
101.02417	10.5
113.02477	7.0
119.03461	2.5
125.02425	1.7
131.83769	1.5
137.21188	1.6
139.50725	1.5
151.11296	17.0
167.75130	1.7
169.12349	85.3
193.09827	1.5
213.11333	9.2
221.06635	2.6
273.69794	1.6
277.21790	21.6
291.19925	2.3
331.14044	1.8
403.42679	2.2
422.70956	1.7
871.47107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35649	0.2
61.93571	0.2
66.41197	0.2
71.01057	0.3
71.01392	2.5
73.02946	0.4
75.00893	0.4
83.01429	0.5
85.02971	2.4
87.00892	0.5
89.02450	2.2
89.56271	0.3
95.01372	0.3
97.02937	0.6
101.02450	1.6
109.02971	3.7
111.00925	0.4
113.02451	3.1
117.03490	0.4
119.03505	0.7
121.02976	0.4
123.04478	0.5
125.02441	3.9
126.02846	0.5
132.02168	1.1
133.02956	21.4
135.00891	0.3
135.04527	20.1
137.02437	1.8
139.04068	0.4
142.06203	0.4
147.04536	0.3
148.05342	0.3
149.02394	0.3
149.06116	2.4
151.03999	0.4
153.01926	2.6
161.02446	100.0
162.02798	1.3
164.01099	0.4
175.04028	2.4
177.01884	0.6
177.05574	4.6
179.03494	19.7
189.05562	0.7
195.05141	1.7
203.03514	11.5
213.52480	0.3
221.04573	3.4
233.04507	2.2
243.03114	0.4
245.04579	0.4
251.05652	2.0
275.09058	0.4
281.06625	2.8
287.05756	0.4
289.07214	0.6
323.07779	0.7
341.08810	23.1
399.13107	6.0
411.07297	0.3
439.12482	27.6
440.12811	0.3
471.14951	2.2
860.11737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	10.7
73.31100	6.5
83.10728	6.6
83.23375	5.8
86.46003	6.4
89.02498	10.2
92.64994	7.0
107.32680	7.2
113.02494	7.7
116.92813	10.3
134.89514	13.8
169.12344	48.5
209.11844	47.8
210.34016	7.6
233.85146	8.2
293.21191	48.7
305.17581	41.7
541.26324	30.9
664.43201	10.4
817.47699	100.0
835.48419	42.9
871.46356	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
79.95739	1.3
80.96538	3.6
92.36911	1.3
94.63058	1.5
116.92877	2.4
167.23622	1.4
293.21173	2.1
294.21622	2.0
295.21890	1.9
496.19824	1.6
617.66577	1.5
646.80884	1.9
681.50348	1.7
784.08093	1.9
868.51477	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	869.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05454	1.2
71.01386	10.2
73.02948	2.1
81.03477	2.1
83.05036	5.5
84.02153	1.5
86.94012	1.1
89.02454	7.9
95.05048	1.6
96.96040	2.1
97.06580	2.4
99.04530	1.7
101.02457	6.1
101.34116	1.2
102.26526	1.4
112.05367	1.4
113.02475	4.9
115.07690	2.3
121.02902	1.4
123.04513	2.0
125.02452	2.6
125.09723	7.0
127.07671	9.3
135.08171	3.2
137.02417	1.7
139.07645	2.5
141.09274	1.5
153.09215	23.3
155.10817	5.1
163.11302	8.6
165.12856	5.3
171.10280	36.3
178.10004	2.7
181.12375	1.8
183.13821	1.4
185.11792	14.9
191.10779	5.9
191.14400	2.0
197.11891	17.1
209.11861	98.7
219.13914	2.0
235.08430	2.6
238.12178	2.1
245.19191	9.2
253.09346	8.9
263.20081	2.2
272.11566	1.3
279.19525	2.2
289.18097	22.6
297.20801	1.5
307.19211	100.0
308.19662	1.6
325.20209	34.8
456.20380	1.5
456.94507	1.6
525.26990	2.0
543.28198	28.5
561.28918	6.5
649.77344	1.5
697.37830	1.8
782.40576	5.6
833.47559	11.8
851.47992	8.6
869.49347	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	867.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35041	1.7
61.98853	4.3
63.19064	1.9
71.01400	4.5
72.99331	1.9
73.32149	1.8
78.37579	1.8
81.03481	2.8
83.05046	7.7
87.00905	2.1
95.05006	1.9
96.96035	3.3
100.41723	2.2
101.02480	4.4
107.05045	4.2
109.06634	2.0
111.48788	1.9
112.38306	2.1
121.03001	2.2
123.04526	2.7
125.02473	4.8
125.09715	10.9
135.08194	4.0
149.02420	2.0
151.04103	2.3
153.09224	14.0
163.11279	9.7
171.10289	15.1
178.10017	2.9
181.12410	2.6
185.11868	9.7
197.11862	12.7
207.10283	9.1
207.76305	2.2
209.11862	100.0
217.74721	1.9
219.38631	2.0
225.11429	2.7
253.09224	4.2
257.96045	2.0
287.16635	9.0
289.18097	8.4
305.17642	36.2
307.19220	28.3
323.18738	13.3
325.20322	14.7
541.26703	15.7
543.27893	5.0
831.45587	9.8
849.46008	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	865.533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	10.5
65.05285	1.0
71.01404	2.2
71.18695	1.2
78.95968	1.2
80.96546	2.0
85.02985	1.6
85.69588	0.9
86.98174	0.9
89.02460	2.0
101.02474	5.0
111.08196	5.4
161.04581	1.2
169.12372	4.4
197.11855	36.2
199.13382	1.2
209.15495	1.8
211.13412	5.6
225.15071	1.6
235.08237	3.8
253.09225	11.4
263.20087	2.2
270.84708	0.9
277.21756	100.0
291.19690	14.4
292.10425	0.9
307.75677	1.0
309.20779	31.3
466.00467	1.0
545.30292	1.5
577.00598	1.0
865.49847	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	865.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91705	0.3
65.03970	0.4
69.03462	0.4
81.03465	1.6
83.01381	3.6
89.03986	0.5
92.10728	0.4
93.03465	0.7
95.01413	0.7
95.05031	1.4
97.02941	2.1
105.03434	0.6
107.05028	2.1
108.02177	0.4
109.02955	13.7
109.03693	0.7
117.03461	0.7
119.05061	0.7
121.02979	3.2
122.03783	0.6
123.04517	10.2
125.02439	100.0
130.04189	0.3
131.05020	0.7
133.02934	6.0
135.04536	2.0
137.02441	14.9
139.03986	2.3
145.03058	0.7
146.03668	0.6
147.04553	1.5
149.02444	5.8
149.06097	0.5
150.03215	0.7
151.04016	12.3
159.04506	2.9
160.05330	0.7
161.02452	34.6
161.06033	2.6
162.03171	1.7
163.00394	3.7
163.04008	5.7
164.01160	7.3
165.01936	6.4
167.03500	1.7
173.06050	0.8
174.03230	0.9
175.04010	16.6
175.07622	0.6
176.04413	0.5
177.00464	0.5
177.01949	12.2
177.05562	0.7
179.03551	3.9
182.91621	0.4
183.04527	0.7
185.06139	0.4
187.04022	6.0
188.04784	1.4
189.02011	2.7
189.05630	1.4
190.02789	0.7
191.03537	0.7
193.05077	0.6
198.03308	0.5
199.04021	4.6
199.07709	0.5
201.01933	0.8
201.05540	2.7
202.06224	0.6
203.03505	3.3
203.07161	5.8
205.01450	1.7
205.05104	4.8
211.04115	1.3
211.07608	0.4
212.04710	0.4
213.05565	1.5
214.02731	0.4
215.03537	1.6
215.07100	0.4
217.01541	0.8
217.05058	7.9
217.27188	0.3
219.03020	4.4
219.06560	0.4
221.08209	0.4
225.05606	1.4
227.03558	2.7
227.07117	0.8
228.04239	0.8
229.05055	2.3
230.05786	0.5
231.03064	1.6
239.03563	0.5
241.05116	0.7
243.03006	18.0
243.06635	1.3
244.03667	0.3
245.04572	10.3
245.08180	6.1
247.06056	0.7
255.03024	8.3
255.06789	0.7
256.03821	3.6
257.04626	1.6
259.02338	0.4
259.06323	0.4
261.04053	4.4
267.06558	0.4
269.04535	4.1
271.06210	0.6
273.04080	2.1
281.04700	3.2
282.01663	0.6
283.02487	1.9
284.03339	0.4
285.04092	3.2
285.07141	0.4
286.04681	0.6
287.05618	17.2
289.07199	17.7
290.07523	0.6
293.04602	0.7
297.03983	0.7
297.07651	0.6
299.05621	2.7
305.04724	0.6
309.07205	0.4
315.08725	0.8
327.04721	0.5
329.06717	0.5
339.08820	2.1
341.06647	1.8
347.05618	0.4
381.10062	0.6
383.07678	0.4
387.05139	0.7
389.06421	0.5
391.04654	0.5
395.08023	0.5
405.06049	3.6
407.07767	20.6
408.08441	0.4
413.08743	5.2
423.07153	3.1
425.08881	10.0
449.08640	4.8
451.10367	6.8
525.08441	1.4
533.11072	0.5
543.09357	3.1
559.13000	0.5
561.10504	1.4
569.10999	1.7
575.12146	3.7
577.13586	8.0
587.12048	2.8
652.97314	0.4
695.13782	5.2
713.15521	2.6
739.16949	0.8
754.67560	0.4
865.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	17.1
73.02940	1.8
80.02660	1.1
80.96522	4.5
83.05030	5.1
85.02979	2.5
87.00876	2.2
89.02442	14.6
101.02435	13.0
109.02944	1.1
112.69347	1.3
113.02419	4.7
119.03477	2.9
125.02444	5.4
137.87299	1.2
141.01680	2.0
163.11353	4.3
165.12865	5.2
179.05673	2.1
201.76642	1.2
209.11871	100.0
225.00676	1.7
227.12949	9.5
235.08195	5.4
245.38812	1.4
253.09305	2.1
253.70802	1.3
255.23320	60.2
260.19370	1.3
291.19714	13.1
293.21341	5.0
379.12531	7.4
397.08820	2.0
397.13586	33.2
415.14597	8.0
509.25406	1.3
519.37756	1.4
661.07904	1.5
863.47742	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	863.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.7
72.99316	0.8
73.02967	2.2
80.02676	1.0
80.96533	0.8
81.03450	2.0
83.01415	1.0
83.05022	6.4
84.02135	0.8
85.02972	3.4
86.66456	0.5
87.00900	3.2
89.02438	12.3
89.02945	0.8
95.01398	1.0
96.92368	0.4
97.02975	2.4
101.02438	10.3
113.02469	5.8
113.09624	0.6
119.03502	3.7
125.02455	4.1
135.08197	0.8
143.03502	1.1
158.15030	0.6
161.04550	2.3
163.11295	5.7
165.12848	1.1
179.05637	2.4
191.10841	1.0
209.11868	100.0
210.12180	0.8
221.06761	0.9
227.12991	8.7
235.08345	3.7
255.23335	44.7
269.24948	0.6
287.07675	0.9
296.35522	0.5
305.08633	0.8
323.09875	0.8
331.49933	0.6
350.90152	0.5
379.12567	5.6
397.13550	27.6
415.14676	7.1
570.76343	0.6
589.25543	0.7
607.26392	0.9
863.48792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	9.1
71.01382	12.5
78.81724	8.2
89.02450	19.0
105.77570	8.6
114.39687	10.4
119.98181	9.3
125.02377	15.0
133.78265	7.3
148.66621	7.8
175.49675	10.1
205.12309	12.3
223.13402	100.0
333.73355	11.4
397.13239	18.4
603.26477	10.0
621.27588	45.9
863.38660	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	1.0
81.03470	5.0
83.01398	8.4
92.13141	0.6
93.03474	3.6
95.01399	2.5
95.05038	3.8
97.02966	6.4
107.05044	0.9
108.02195	1.3
109.02957	38.0
117.03501	1.1
119.05030	1.0
121.02943	12.0
122.03726	1.0
123.00854	0.7
123.04527	18.4
125.02435	100.0
127.11519	0.7
130.70955	0.7
131.05099	1.1
133.02971	6.2
135.00844	1.6
135.04527	4.6
137.02434	46.1
139.04008	7.9
143.05067	0.8
145.02942	2.7
145.06541	1.1
146.03731	1.3
147.00890	1.5
147.04497	5.7
148.01666	1.3
149.01253	1.3
149.02443	34.9
150.03239	1.6
151.00383	1.1
151.03992	17.3
157.02960	0.8
158.03845	1.0
159.04497	7.1
160.01660	2.8
160.05347	1.0
161.02440	46.0
161.06042	7.2
162.03232	5.1
163.00374	23.5
163.04002	5.7
164.01186	11.5
165.01952	6.9
167.03532	3.2
167.04904	0.8
171.04514	4.0
173.02356	1.6
173.06088	3.2
174.03226	6.0
175.04002	25.9
175.07530	1.5
175.99750	0.7
176.01085	5.9
177.01926	18.7
177.05630	0.9
178.02647	0.8
179.03517	8.7
183.04474	1.6
185.02467	0.7
185.06038	3.8
187.03995	11.2
187.07626	1.2
188.04787	4.3
189.01944	3.7
189.05586	6.1
191.03516	2.7
193.05083	0.8
195.04610	0.8
196.83601	0.8
197.06075	1.4
199.03987	9.9
201.01938	6.3
201.05565	3.7
202.02652	0.8
202.06372	3.6
203.03473	4.4
203.07195	15.4
205.01416	4.8
205.05063	10.3
211.04034	4.0
212.04750	1.2
213.05562	5.5
214.02765	0.9
215.03464	6.6
215.07199	0.8
216.04346	0.9
217.01434	1.0
217.05093	11.9
219.03023	3.3
221.08212	3.6
223.03882	0.7
225.05632	1.2
227.03499	4.1
227.07071	1.7
228.04253	0.9
229.05042	6.0
230.05803	1.3
231.02991	3.1
231.06578	1.4
237.05621	1.2
239.03491	1.5
239.07184	1.5
240.04204	0.8
241.05141	8.9
242.02271	1.3
243.02986	20.0
243.06541	1.1
245.00789	0.9
245.04616	6.2
245.08179	18.3
247.06114	3.1
253.05185	1.2
255.03029	12.4
256.03778	5.7
257.04562	12.5
267.02939	3.8
268.03754	1.0
269.04538	4.0
271.02432	1.0
271.06113	1.0
272.03229	1.6
273.03915	1.6
279.03098	0.9
280.03647	1.3
281.04510	4.4
283.02429	6.6
283.06033	3.8
284.03174	1.0
285.04047	59.1
287.05502	8.1
288.02786	1.5
289.07178	69.6
290.07590	1.3
293.04584	1.4
299.05579	17.8
301.03583	1.4
307.06116	9.6
309.03958	1.5
325.03522	1.3
327.04999	0.8
331.06073	0.9
333.04050	1.0
339.08463	2.5
347.05527	1.0
349.07092	1.3
351.05197	0.9
375.05008	2.8
381.09821	0.9
387.05066	1.0
393.06647	1.1
405.06036	4.1
407.07733	17.3
411.07248	95.2
412.07727	1.7
425.08743	3.8
437.08969	0.9
447.07343	4.6
451.10477	23.2
529.75458	0.9
531.09259	3.0
541.07507	1.1
555.09229	1.1
559.08844	13.8
567.09027	1.5
573.10406	18.4
585.10449	1.1
693.12732	13.7
711.13708	16.6
863.18280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82992	14.1
92.56563	18.3
105.16951	16.3
116.92829	18.6
117.92088	14.4
235.08292	18.4
277.21588	100.0
327.21851	70.8
636.86786	18.3
857.95203	19.0
859.48846	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	863.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16413	0.8
69.03471	1.0
81.03465	4.1
82.97875	0.8
83.01377	8.4
93.03442	3.4
95.01373	1.5
95.05017	3.4
97.02943	6.8
105.03422	1.2
107.01440	1.0
107.05035	1.0
109.02955	36.9
117.03479	1.5
119.04984	0.8
121.02948	12.0
122.03691	1.5
123.04518	20.6
124.01616	0.9
125.02436	100.0
133.02948	8.7
135.00912	1.6
135.04509	4.2
136.66228	0.9
137.02441	45.7
137.03505	1.6
139.04004	5.7
145.02957	3.4
146.03717	3.1
147.00871	3.8
147.04503	7.4
148.01668	1.5
149.02438	37.1
150.03265	1.0
150.34567	0.8
151.03986	18.2
159.04547	10.2
160.01630	1.0
160.05263	3.4
161.02443	50.2
161.06067	6.6
162.03192	3.6
163.00375	25.4
163.03979	5.5
164.01176	10.2
165.01880	8.9
165.05528	1.2
167.03542	1.3
171.04485	2.0
173.02434	1.8
173.06047	3.0
174.03172	4.1
175.03992	24.1
175.07536	2.7
176.01135	4.2
177.01927	17.6
177.05461	1.2
178.02693	1.1
179.03552	8.6
183.04483	1.7
185.06117	4.0
187.03992	10.7
188.04776	5.3
189.01907	3.7
189.05550	5.4
189.90672	0.9
190.02652	1.0
191.03481	1.8
196.05257	1.4
197.06084	1.2
199.04022	13.1
200.04730	1.1
201.01900	6.9
201.05574	3.6
201.09157	0.8
202.02747	1.7
202.06340	1.6
203.03529	4.7
203.07132	17.5
205.01408	5.0
205.05048	11.3
210.07095	1.0
211.04025	2.0
212.04706	1.5
213.05582	5.4
214.02721	1.3
215.03447	6.5
217.01555	0.9
217.05098	11.7
219.02928	1.8
221.08231	1.4
225.05528	1.6
227.03473	4.3
227.07112	4.5
228.04184	1.1
229.04994	5.9
231.02992	1.7
231.06590	1.1
237.05661	1.1
239.03482	1.6
239.06990	1.2
240.04048	1.0
241.05016	7.2
242.02104	1.0
243.02997	16.6
243.05418	1.0
243.06589	1.4
245.04613	6.7
245.08176	20.4
247.06219	1.5
253.04976	1.5
255.02954	17.5
255.05550	0.9
255.06795	1.5
256.03720	7.4
257.04501	10.6
267.02924	1.8
268.03842	1.0
269.04523	4.5
271.02631	1.9
271.06073	1.5
272.03134	1.4
273.04025	3.5
281.04459	3.5
283.02463	5.3
283.06125	4.1
284.03305	1.5
285.04071	59.3
286.04507	1.4
287.02570	0.9
287.05533	7.9
288.02701	2.0
289.07208	67.9
290.07443	1.0
293.04626	1.1
297.04053	1.8
297.07327	1.1
299.05685	20.1
301.03732	1.1
306.05557	1.0
307.06012	7.2
309.04092	3.7
329.06613	1.6
339.08633	1.4
349.07095	1.6
375.05182	3.2
393.06354	1.3
405.06012	1.4
407.07687	16.2
410.34808	0.9
411.07236	98.1
425.08585	4.3
437.08502	1.4
447.07254	4.9
451.10599	20.3
453.08578	1.0
529.24872	1.0
531.09436	4.4
541.07928	3.9
559.08783	13.1
567.09161	3.1
573.10339	13.5
585.10663	1.8
693.12738	15.2
711.13507	16.3
863.18201	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	857.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92941	4.2
68.91333	4.5
69.08813	4.2
69.62801	4.4
70.80486	4.2
71.01398	18.8
72.53352	4.9
78.95941	8.0
78.98606	4.6
79.95761	20.9
80.96526	99.3
94.98096	24.4
106.98103	5.4
118.77043	4.6
138.69798	4.1
148.99203	6.4
153.90218	4.8
164.98653	9.2
225.00807	37.3
319.02216	5.5
342.89117	5.5
361.33926	5.1
439.45468	5.2
501.13968	5.2
601.27203	5.4
679.50067	5.4
857.51172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	12.2
74.25314	1.9
78.95882	18.9
78.98592	4.2
79.95737	23.0
80.96517	88.1
85.02966	2.0
94.98086	19.7
96.67967	1.9
103.30769	2.0
106.98108	2.8
112.76859	2.0
122.31311	2.0
122.97623	4.4
125.02415	2.2
134.97589	5.0
148.99178	9.1
152.98607	2.8
153.11287	2.4
160.18538	2.3
164.98619	18.8
179.89200	3.8
180.89983	1.9
196.89497	8.5
204.35504	2.4
225.00746	23.2
226.73039	2.0
261.93765	2.2
347.48355	2.3
451.59564	2.3
578.20459	2.3
701.92572	3.0
773.59949	2.5
857.36053	4.2
857.51080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79034	13.3
61.61213	10.9
61.98855	11.1
62.24703	11.2
62.78590	12.3
64.74142	9.9
65.03642	11.7
65.13494	11.1
65.34276	10.1
70.02953	11.3
76.57730	12.7
80.87236	14.4
116.92877	100.0
117.92850	13.8
197.11858	15.9
272.80258	14.0
293.21317	55.0
309.20773	17.6
348.37744	12.3
455.73267	13.2
596.45032	14.7
857.48132	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38264	6.4
108.39102	7.0
124.20483	6.8
134.89410	9.8
179.71950	9.2
185.11853	11.1
209.11868	40.9
238.12303	8.1
268.16583	7.1
277.21680	76.6
289.18076	10.7
307.19186	100.0
325.20233	15.1
340.09229	7.3
406.11542	8.9
543.28162	36.6
803.49493	68.9
821.50836	17.0
857.47552	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47347	19.7
71.66255	14.0
75.17233	14.6
99.92624	17.1
116.92867	100.0
159.41029	17.2
192.50426	18.1
293.21240	29.3
309.20560	19.0
857.47900	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	857.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15261	5.0
73.45162	5.3
85.62524	4.7
90.00460	5.6
92.10140	27.0
93.03343	6.1
94.87113	5.4
117.99402	5.8
174.78397	6.1
203.96535	7.0
209.11871	11.0
238.51190	7.4
243.34787	5.4
277.21722	100.0
289.17941	8.3
303.55243	6.8
307.19238	28.4
325.19897	7.9
362.90543	6.4
453.23849	6.5
803.49658	35.1
857.48315	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	855.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
75.43993	28.0
78.95921	58.0
96.96060	27.0
116.92873	46.0
121.48093	20.5
158.01830	23.1
262.75986	28.8
277.21765	32.4
289.18045	92.6
293.21292	100.0
321.42590	25.2
328.70642	23.7
362.96484	25.5
397.50934	25.8
797.58270	27.6
855.45673	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64966	8.5
60.16156	8.1
70.21211	9.2
74.26123	9.0
76.41048	11.4
110.12387	8.8
119.88577	11.0
131.18573	9.6
136.89211	20.6
209.11856	86.8
277.21613	74.6
305.17633	60.4
390.61737	11.2
523.25385	14.1
541.26263	20.7
556.76373	10.9
602.32245	11.4
801.48077	100.0
819.49481	47.6
855.46802	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	855.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74156	7.3
68.54795	7.4
69.23539	8.5
70.39147	8.2
77.70827	7.6
80.19108	8.7
92.10157	11.1
116.92874	10.6
121.03025	8.3
123.35606	7.8
128.34433	9.6
138.22015	10.4
192.81245	9.2
195.38080	7.9
209.11841	15.2
220.22971	9.5
251.78723	8.5
277.18594	10.3
277.21704	100.0
305.17776	17.1
314.09247	9.6
340.09680	9.6
377.18726	9.1
523.24847	14.7
578.98804	10.4
644.57312	9.5
649.50922	9.8
729.05243	9.9
801.48529	83.3
819.48596	13.1
855.49054	10.3
855.68817	9.3
874.38055	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	853.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.9
68.33260	0.5
70.15665	0.6
81.03465	7.8
83.01420	0.6
84.55058	0.6
92.10822	1.2
93.03474	2.5
93.23901	0.5
96.96008	2.5
104.17265	0.5
107.01412	0.5
108.32682	0.6
109.02990	0.8
117.03463	0.6
119.05021	32.6
123.04523	11.1
125.02422	0.7
135.04517	0.7
143.05078	1.1
145.02963	5.9
145.03967	0.6
149.99579	2.4
151.00380	3.0
151.04173	0.7
153.02046	0.6
159.04544	2.4
161.02396	1.2
163.04022	0.8
172.01688	0.8
173.02454	0.6
173.79979	0.6
174.03299	3.1
175.04004	3.3
179.56133	0.5
185.02483	1.0
185.06105	0.9
185.28848	0.7
187.04001	5.0
187.07672	1.3
196.05334	0.8
197.02443	1.3
197.06085	0.8
198.03339	0.7
199.04085	2.5
201.01973	2.4
201.05614	1.0
209.06146	0.8
211.07669	0.9
213.01945	4.5
213.05405	0.9
214.02776	0.8
215.07233	2.5
216.07899	0.8
225.01826	0.7
225.05708	1.0
229.01498	0.7
237.05469	0.8
238.06421	0.8
239.07201	0.9
241.01639	0.9
241.04973	4.0
242.02240	1.3
243.02992	10.7
251.10706	1.1
253.08688	0.7
254.05901	1.0
255.06667	4.0
256.00143	5.7
257.00888	1.1
262.06436	0.7
263.07098	0.9
265.05121	3.2
266.05878	1.3
267.06613	1.1
269.00937	21.2
270.01675	0.9
279.06625	3.0
281.04855	1.0
281.08246	3.9
282.05225	1.2
283.02591	2.8
283.06119	16.4
295.02475	2.8
295.09772	12.9
303.06680	1.0
305.08377	1.0
307.06244	6.4
309.07611	1.1
312.06406	0.9
323.09100	1.0
325.07227	7.1
331.06155	1.0
339.12354	8.2
347.05698	0.8
349.07147	3.6
367.08340	4.9
375.05170	1.3
376.05927	6.1
389.06720	18.2
393.06149	10.4
513.11963	100.0
514.12402	3.7
641.52930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.4
61.60923	5.3
71.01376	63.5
73.02953	7.0
87.00861	10.6
89.02454	11.2
89.80698	5.3
96.96005	9.2
97.02925	7.1
101.02442	9.8
108.40839	6.6
109.06596	7.1
110.46320	5.0
113.02463	13.8
119.05035	44.9
120.75477	6.7
125.02457	10.9
136.31308	7.3
153.01917	9.1
161.96031	6.3
163.04002	77.4
163.11246	12.6
171.10277	28.8
181.12338	6.3
201.11339	8.1
203.48689	5.6
207.10283	35.9
209.11842	100.0
225.11293	29.3
764.47717	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	853.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.64907	0.7
68.99807	0.8
69.03448	1.8
71.01378	20.1
72.99292	1.2
73.02948	6.5
81.03454	2.0
83.01391	4.4
83.05008	1.2
85.02948	100.0
87.00871	26.9
87.01374	1.2
95.01370	13.6
97.02940	1.6
99.04523	4.5
100.19687	0.9
101.02406	1.2
109.02946	4.0
111.00877	3.7
113.02439	31.8
115.00374	23.0
125.02451	4.8
127.03118	1.4
127.04003	23.1
129.01933	6.5
133.02969	4.0
135.04301	0.9
137.02419	1.5
139.00388	6.3
153.01918	0.9
155.03516	1.7
157.01436	16.7
161.02464	2.0
166.39108	1.1
173.04567	1.1
179.03596	0.8
199.02530	16.2
217.03523	18.4
229.08684	2.0
284.03214	1.4
297.04099	1.4
299.05545	3.4
311.05566	1.0
327.05081	19.8
328.05533	1.5
345.08298	17.0
357.06204	4.7
387.09283	3.3
447.09326	10.6
605.13458	1.4
647.14764	1.7
751.20380	1.3
793.20679	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79024	1.1
71.01376	10.3
73.02942	1.5
78.95892	9.0
78.98592	8.4
79.95724	15.4
80.96515	96.0
82.96128	2.2
85.02971	2.4
87.00890	5.0
94.98077	23.1
96.97029	1.3
97.02931	1.8
101.02444	2.8
106.98098	5.3
110.35304	1.1
122.97615	5.0
125.02471	5.5
131.30714	1.1
134.97598	8.7
136.99152	1.6
148.99097	9.0
152.98642	11.0
164.98619	19.6
206.99629	4.8
225.00768	34.6
241.01190	5.1
255.23332	11.7
256.23724	2.6
295.22867	2.6
305.02017	1.2
537.27350	1.5
593.26245	2.3
763.43018	1.4
848.49298	1.7
849.50397	100.0
850.49969	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	849.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.8
59.30178	1.8
61.54938	1.6
61.95000	2.1
63.89141	1.8
71.01385	4.4
71.50452	1.7
85.02946	2.9
96.96029	3.2
97.01739	2.6
101.02451	2.8
118.06609	3.2
122.06110	7.8
123.06870	9.1
124.07676	40.5
125.02402	2.9
133.78687	2.2
136.07672	10.0
146.06128	30.9
150.05634	22.7
161.02501	3.0
162.05652	8.3
163.06343	4.8
176.34268	1.9
179.05920	8.3
179.58725	2.0
184.86981	1.7
196.07718	2.4
199.08731	2.1
212.10867	10.5
213.10338	4.1
226.07550	12.3
226.12685	21.7
227.08324	68.9
227.11790	3.7
239.08289	3.0
240.09102	10.0
241.09850	93.0
241.13351	17.2
242.10625	23.1
243.14958	16.8
252.10004	2.7
253.09830	11.1
254.10617	4.9
255.11392	48.0
267.11478	3.6
268.12201	4.3
269.12958	83.5
270.13852	3.7
271.14493	4.6
272.08151	2.4
285.12555	4.9
286.09714	3.8
286.13290	2.7
287.14063	36.9
295.10849	4.2
300.11212	8.3
313.11935	12.5
315.13498	8.9
329.15277	4.5
364.16742	8.5
365.17520	4.9
378.18213	8.5
393.20618	3.6
408.15738	11.6
420.19519	2.8
437.19583	14.0
539.26685	21.4
557.27850	85.1
558.28333	2.8
561.99451	2.2
583.25684	28.4
601.26855	22.2
643.27527	2.8
805.33197	100.0
845.88068	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	849.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	1.0
83.01391	3.7
85.49483	0.5
93.03437	0.9
95.05032	0.8
97.02949	1.9
107.05013	0.7
109.02951	13.3
117.03493	0.7
121.02954	1.1
122.03710	0.8
123.04521	10.0
124.01684	0.6
125.02440	100.0
133.02971	4.4
135.04550	3.0
137.02451	16.0
139.04012	2.7
145.02951	0.8
147.04575	0.6
149.02429	4.3
151.04012	8.5
157.06631	0.5
159.04491	2.9
161.02455	26.7
161.06055	4.0
162.03217	2.0
163.00363	1.8
163.04060	5.2
164.01164	14.0
165.01936	6.8
167.03630	0.7
173.06114	0.8
173.86505	0.5
174.03276	0.7
175.04005	10.1
176.01012	0.5
177.01938	7.8
177.05597	1.0
178.02562	0.5
179.03487	2.5
183.04555	0.6
185.06090	2.0
187.04019	5.0
188.04819	0.8
189.01912	2.7
190.02693	0.5
191.03384	0.6
199.04004	2.6
201.02072	0.7
201.05600	2.5
202.06310	0.9
203.03584	2.3
203.07115	5.9
205.01453	2.2
205.05019	4.7
211.03999	1.1
213.05580	0.6
214.02708	0.5
215.03424	0.8
217.05025	4.5
219.03003	2.8
221.08231	0.9
225.05580	0.7
227.03493	3.1
227.07149	1.1
228.04338	0.9
229.05069	3.2
230.05965	0.5
236.27357	0.5
241.05034	0.6
243.03000	4.8
243.06583	1.7
245.04581	7.2
245.08258	6.9
253.05087	0.7
255.03011	7.1
256.03778	2.5
257.04587	2.8
261.03992	0.8
267.02948	0.6
269.04556	2.4
271.06140	4.2
273.04025	1.9
273.07825	0.6
281.04651	2.4
283.02469	0.6
285.04007	2.2
287.02606	0.6
287.05621	13.9
289.07217	21.2
297.04117	0.5
299.05557	2.6
339.08792	1.8
341.06693	2.2
381.09900	0.7
397.09381	4.1
407.07751	20.5
425.03638	0.8
425.08920	9.2
433.09067	0.6
434.33508	0.5
451.10501	6.2
467.10574	0.6
476.47134	0.5
515.69312	0.5
517.11237	0.9
559.12714	6.7
571.12695	0.6
577.13544	9.1
613.41095	0.5
639.34973	0.6
679.15271	0.7
697.15924	1.9
849.20398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.9
60.15763	2.0
61.98834	10.5
63.51888	2.0
71.01385	9.1
73.68004	2.5
89.02453	11.5
97.06577	11.5
101.02443	9.7
119.03440	2.4
121.39042	2.3
123.08138	3.8
125.09729	100.0
125.57035	2.2
134.89461	2.7
144.66933	2.1
187.09763	80.8
189.57643	2.5
217.50558	2.2
233.84132	2.0
277.21805	19.1
585.24054	4.0
845.45404	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1885
Annotation	Epiafzelechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin
Peak:m/z	Relative Intensity
77.65975	0.9
81.03470	3.9
83.01386	8.2
92.10160	2.0
93.03465	7.9
95.01364	1.2
95.05051	1.4
97.02966	5.2
101.63296	0.9
105.03474	1.2
107.05052	1.2
108.10047	0.8
109.02947	23.0
117.03423	1.1
119.05018	1.1
121.02962	5.6
123.00960	1.0
123.04520	12.9
125.02438	61.3
133.02959	7.8
135.04503	2.2
137.02437	37.2
139.04031	3.8
140.22711	1.3
145.02936	2.1
146.03694	1.4
147.00882	2.0
147.04529	1.5
149.02446	32.5
151.04025	12.3
159.04533	5.4
160.05287	1.4
161.02446	35.1
161.06094	5.9
162.03203	1.6
163.00351	8.0
163.04002	3.8
164.01166	7.6
165.01917	5.8
165.05554	1.7
167.03473	1.7
171.04607	1.6
173.06088	1.6
174.03114	1.2
175.04025	8.8
175.07568	0.9
176.01160	2.1
177.01938	8.4
179.03516	3.8
179.04968	0.9
183.04465	1.5
185.06015	1.0
187.03995	5.8
187.75250	1.1
188.04797	3.8
189.05547	7.5
191.03558	1.4
199.04015	5.7
199.07683	1.2
201.01949	1.1
201.05588	3.7
202.06299	1.1
203.07146	13.9
204.20468	0.9
205.01434	2.1
205.05025	9.6
213.05630	2.2
215.03557	3.8
217.08600	1.1
221.08051	1.5
225.05598	4.5
227.03535	2.2
229.05070	3.9
240.04362	1.7
240.40948	1.3
241.05096	8.1
243.02972	9.4
245.04413	1.2
245.08226	14.1
247.06091	1.5
253.04927	1.5
255.02962	10.1
256.03745	6.5
257.04437	2.3
265.08746	1.2
267.06744	1.5
269.04599	27.6
271.06131	1.5
281.04538	3.8
289.07202	63.3
291.06546	1.9
295.05978	1.3
299.05576	8.1
309.07678	1.1
375.04932	1.0
377.07022	1.0
395.07758	100.0
396.08105	1.7
407.07544	7.7
421.09155	1.6
435.07526	3.6
445.09326	1.4
451.10385	12.7
504.41190	1.0
515.09998	1.8
525.08289	4.2
539.10059	3.7
543.09521	11.0
557.10895	25.1
677.13196	14.3
695.14355	12.2
831.33508	1.4
847.18469	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	841.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39431	0.3
64.67139	0.4
85.23808	0.4
88.86636	0.4
99.92577	7.9
114.93445	0.4
115.06101	0.4
116.92857	100.0
116.97239	0.6
117.01881	0.7
158.03923	0.5
174.58821	0.5
201.67221	0.4
233.48952	0.5
278.36780	0.4
329.78708	0.5
364.53381	0.5
391.90350	0.5
493.19022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55696	76.0
67.64375	72.6
69.89732	63.5
82.28781	66.2
105.27853	80.0
147.48711	66.7
152.23236	70.5
241.43442	92.4
841.49957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	62.5
67.11041	1.9
69.44682	2.0
71.01382	31.3
71.05025	17.8
73.02944	34.3
75.00854	2.1
83.01436	3.8
85.02982	3.8
89.98013	2.0
92.65847	2.1
101.02444	18.6
113.02467	8.7
121.02946	30.6
123.04544	3.7
125.02502	3.7
131.43289	2.3
134.03752	22.1
161.02457	100.0
177.01862	2.3
177.09224	5.4
189.01947	25.6
219.03050	3.6
221.08231	68.5
243.06717	2.4
289.16663	4.1
532.49530	2.6
696.26880	2.6
792.94659	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	839.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51798	23.5
62.94260	19.7
70.53445	23.7
74.29645	21.6
76.58558	33.1
84.03399	22.5
85.44296	22.2
100.70198	24.9
116.92841	35.5
138.41313	22.0
177.82227	23.4
277.21921	32.8
291.19836	100.0
293.21329	47.5
319.35980	25.5
449.14871	28.3
512.77515	25.4
633.68842	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	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42897	1.0
59.01384	11.2
68.88427	1.1
71.01391	6.9
73.02947	1.2
74.89336	1.2
82.13754	1.1
84.23708	1.3
85.02968	6.1
89.02460	5.8
92.10863	3.6
97.06596	4.8
101.02441	9.3
110.74722	1.6
113.02463	2.2
127.11250	2.3
142.27687	1.3
152.99673	1.5
155.10803	1.8
161.04512	2.3
171.10291	16.9
183.13933	4.7
185.11882	1.5
193.12433	1.3
195.13927	10.3
205.12453	1.4
207.10240	1.7
209.11769	2.0
211.13435	27.4
221.11839	4.8
223.13362	9.7
229.14421	17.6
235.08237	5.3
239.12941	1.5
253.09325	32.2
275.20248	7.4
291.19623	6.2
293.21252	100.0
309.20801	8.8
327.21826	78.2
339.75369	1.3
494.45364	1.5
563.31018	7.7
603.42932	5.2
611.39954	1.3
711.26788	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	839.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68205	0.3
88.79208	0.3
99.92580	8.5
114.93418	0.4
116.92857	100.0
116.97260	1.3
117.92888	1.4
166.72864	0.3
277.21808	0.6
435.51315	0.3
487.28256	0.4
505.39978	0.4
516.44952	0.3
533.67175	0.4
754.86145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	8.9
61.98837	19.1
67.87867	4.4
70.16914	4.1
71.01387	6.7
71.87855	4.3
78.95908	4.9
82.95437	8.8
87.00906	6.8
89.02441	10.4
92.10677	7.3
95.04993	4.6
125.02414	5.1
125.09713	8.8
153.09189	9.3
163.11284	6.7
171.10265	22.9
172.01402	4.5
185.11839	9.1
195.13890	6.6
197.11890	26.7
209.11870	99.1
211.13359	8.5
236.21906	4.8
253.09212	22.2
289.18182	30.8
291.19644	34.5
293.21265	80.9
307.19138	100.0
309.20844	10.0
325.20279	35.2
401.13052	4.8
444.86594	4.9
538.74603	5.5
543.28094	42.3
689.62335	4.7
750.42413	9.7
819.48907	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	839.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50621	0.4
64.34200	0.5
99.92577	6.8
111.33366	0.5
114.93454	0.6
116.92856	100.0
116.97233	0.6
117.92858	0.8
135.08199	0.9
189.12779	0.6
195.83456	0.5
234.82997	0.6
277.21698	4.8
291.19775	0.7
292.20132	0.7
619.52374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.2
62.62149	2.8
63.26642	2.8
69.03439	2.7
71.01393	14.5
80.96511	4.6
84.24837	3.0
88.98798	4.3
89.02443	4.1
96.95997	12.3
97.00170	3.4
97.44984	3.1
99.92588	28.4
101.02425	6.0
111.08157	18.6
111.79878	3.0
115.92056	23.5
116.92858	21.2
117.32658	2.9
119.33721	3.6
169.12364	4.5
179.10786	4.5
185.11797	4.5
191.14394	3.3
195.13934	19.5
197.11870	42.8
209.11778	11.3
217.35524	3.4
223.13213	4.0
245.18980	5.1
253.09241	17.2
263.32126	3.8
275.20175	3.9
277.21609	4.2
279.93869	3.3
289.18130	29.4
291.19659	100.0
293.21259	70.4
293.53122	3.4
307.19153	24.3
309.20667	28.8
710.36200	3.4
775.33203	4.2
789.77832	4.0
837.35046	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	837.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	9.5
78.98598	6.7
79.95731	15.0
80.96516	100.0
85.02966	1.8
87.00864	2.6
94.98094	19.8
101.02431	2.3
106.98093	3.5
116.07983	1.4
116.92857	2.0
122.97563	2.7
125.02454	3.2
129.13599	1.6
134.97591	7.8
148.99129	8.7
152.98650	9.4
164.98631	16.9
206.99652	2.0
225.00795	19.5
265.46298	1.7
271.64053	1.6
277.21762	1.9
559.25830	2.5
614.68158	1.9
837.48401	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86601	0.6
78.95942	0.7
96.50748	0.7
96.94070	0.7
99.92577	9.2
104.36477	0.7
116.92866	100.0
129.56120	0.7
134.89458	0.6
158.43942	0.7
174.46359	0.6
177.29039	0.6
181.86327	0.6
185.57552	0.7
203.94276	0.7
225.31314	0.7
355.46310	0.7
426.29373	0.8
467.63254	0.7
628.29785	0.7
633.63147	0.8
706.53003	0.8
854.53125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75552	0.8
61.09135	0.7
61.98839	100.0
70.25508	0.8
73.57241	0.8
98.70235	0.9
98.95306	0.9
114.79889	0.9
144.65434	0.9
192.61646	0.9
201.38797	0.9
203.42102	0.9
277.21707	3.6
278.22107	5.3
279.22498	1.1
392.76382	1.0
445.21487	1.1
835.38458	1.2
835.53943	1.0
863.43695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00631	0.4
59.01386	12.1
60.28129	0.4
61.69802	0.3
69.03465	0.5
71.01382	8.9
72.99323	0.4
73.02943	1.9
80.02685	0.9
81.03484	2.0
83.01414	1.5
83.05024	5.8
84.02171	0.7
85.02963	3.0
87.00900	2.2
89.02444	8.0
95.01389	0.7
96.96021	0.7
97.02948	0.9
101.02451	6.1
109.02974	0.7
111.00883	0.4
113.02454	3.3
116.59705	0.4
119.03510	1.9
121.02978	0.4
125.02438	3.0
125.06117	0.6
135.08142	0.6
137.02420	0.4
143.03513	0.7
143.04666	0.3
153.01953	1.7
161.04579	1.7
163.11292	5.3
165.12839	3.7
172.51352	0.4
177.01778	0.3
179.05586	0.9
181.12309	0.5
191.10820	0.7
195.02963	1.5
209.11864	100.0
210.12173	0.7
221.06767	0.6
227.12912	12.2
229.31534	0.4
235.08218	2.2
256.54471	0.4
294.27890	0.4
305.08545	0.4
379.12466	1.9
397.13593	16.4
415.14731	3.7
517.75116	0.4
607.26331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00341	0.4
66.81772	0.2
73.39300	0.2
77.03970	0.4
79.01902	0.3
83.01424	0.5
92.10162	0.4
93.03457	0.3
97.02932	0.5
105.03486	0.8
107.01405	0.4
109.02946	2.7
113.42638	0.2
117.03457	0.2
118.79135	0.2
119.05006	1.2
121.02954	2.6
125.02457	1.8
125.82478	0.2
133.02945	15.2
134.03749	0.2
135.04482	2.0
137.02487	0.3
138.05606	0.9
146.06738	0.2
147.04532	1.4
148.01669	0.2
149.02451	2.0
151.00296	0.8
151.04010	0.5
161.02428	2.4
163.00365	2.3
163.04024	4.3
165.01956	2.8
171.04546	0.3
173.02423	1.0
175.03996	4.8
177.01917	1.3
189.02011	0.2
191.03563	3.1
193.01465	2.6
198.03291	0.3
199.02408	0.2
199.03949	2.1
200.61691	0.2
201.01938	2.0
203.03581	0.4
206.18289	0.3
211.04057	0.8
211.07622	0.3
212.04794	0.3
213.05493	1.5
215.03461	0.4
217.05075	0.4
221.06558	0.2
225.05617	1.0
227.03574	0.5
227.07231	0.3
229.05173	0.5
231.06631	0.3
237.05563	0.8
239.03412	0.3
240.04308	1.0
241.05077	1.1
243.03047	0.9
243.06651	0.3
253.05116	1.4
255.03035	1.1
255.06607	0.5
256.03644	0.4
257.04501	0.4
267.06506	0.3
269.04642	1.2
270.05386	0.4
271.06216	0.3
281.04376	0.4
284.03271	12.3
285.00928	0.3
285.04086	7.1
297.04062	20.0
298.04843	9.7
298.08179	0.3
299.05627	23.1
300.06107	0.2
309.04169	1.2
311.05582	3.0
313.61636	0.3
324.02878	1.0
325.03555	0.9
327.05136	100.0
328.05579	1.0
339.05151	3.4
341.06720	0.9
357.06201	23.1
358.06650	0.4
365.06442	0.3
369.06097	2.0
393.06314	1.3
447.09384	61.1
448.09802	0.9
630.72894	0.3
833.59918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5198
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01392	2.6
59.77488	1.6
78.95901	53.0
94.92539	1.9
96.96951	9.4
98.87469	1.9
118.96935	2.0
119.30488	2.3
141.01697	2.3
152.99626	19.8
175.90773	2.3
223.00006	8.0
241.01190	28.5
255.23294	68.2
255.25826	3.2
277.21793	3.0
279.23312	55.0
292.81088	2.0
293.44492	2.4
391.22485	7.9
401.98557	2.5
444.95633	2.1
546.93628	2.6
833.51959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.8
64.34468	0.6
66.33502	0.4
71.01398	1.1
74.00201	0.4
76.57464	0.5
85.02966	0.5
86.08411	0.5
87.40920	0.6
89.02438	0.8
95.57267	0.4
101.02462	0.6
119.90459	0.5
123.20538	0.5
131.69443	0.4
161.04599	0.6
202.01743	0.5
230.29024	0.6
235.08234	0.9
241.36282	0.4
253.09268	2.2
277.21753	100.0
278.22113	1.7
347.37384	0.5
393.47839	0.6
442.88867	0.6
609.05261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
66.77526	0.8
67.77955	0.7
71.01381	2.0
77.60939	0.8
81.03471	2.1
82.73849	0.7
83.01379	9.0
85.02955	0.7
90.82444	0.7
93.03461	5.6
95.01395	1.3
95.05035	3.6
97.02951	12.3
98.16888	0.8
101.02464	3.3
105.03474	1.6
107.05057	1.5
108.02164	1.1
109.02951	28.2
109.03672	1.0
113.02486	1.3
113.03505	0.7
113.55089	0.9
119.05021	1.6
120.02172	5.2
121.02947	7.3
122.03784	1.9
123.04517	29.1
124.01693	1.0
125.02443	73.5
125.76157	0.9
126.02800	1.4
133.02989	12.2
135.00868	1.0
135.04498	4.0
137.02448	50.3
138.02997	0.8
139.04024	5.0
143.05060	1.2
145.03035	1.6
146.03801	2.0
147.04573	1.7
149.02457	13.5
150.03116	1.1
151.04021	12.8
157.06609	2.0
159.04546	4.6
160.05191	1.5
161.02470	9.7
161.04843	1.2
161.06047	9.4
162.03323	1.0
163.00369	11.8
163.04015	6.9
164.01167	100.0
165.01938	21.1
167.03519	1.1
171.04463	1.0
173.06126	1.8
175.04062	8.1
175.07700	1.4
176.01163	5.4
177.01947	15.5
179.03535	5.5
185.05995	6.0
186.06882	1.1
187.04005	8.4
187.07651	1.4
188.04776	5.3
189.01878	1.0
189.05542	1.5
190.02747	1.4
199.03952	1.0
199.07623	1.8
201.05586	2.0
202.06419	1.7
203.03458	0.9
203.07176	18.6
205.01463	5.3
205.05121	8.6
214.02837	1.2
215.03581	1.2
217.04976	1.5
217.08684	0.9
219.03178	1.0
221.08214	3.1
225.05595	1.1
227.03566	1.2
227.07159	5.3
228.04285	1.6
229.05124	6.2
241.05124	1.9
242.02431	1.1
242.05453	1.4
243.03047	3.5
243.06560	1.0
245.08183	14.3
251.11345	3.2
253.05199	1.6
255.03084	4.2
256.03720	1.8
257.04642	2.0
269.04599	4.9
270.05096	1.3
271.06168	38.2
273.07761	11.3
283.06055	4.2
284.06534	1.4
285.04059	1.4
289.07220	65.2
290.07742	1.7
311.05704	5.3
312.06018	3.4
329.06720	1.3
361.22232	1.0
390.62961	1.2
395.07834	6.4
396.08286	7.0
397.08810	6.4
407.07767	10.2
413.08536	1.1
417.09866	1.7
431.09641	1.1
433.09491	3.0
435.11066	7.7
436.07669	1.9
499.49567	1.0
543.13007	18.3
559.12628	1.5
561.13538	7.7
600.53381	0.9
685.38007	0.9
744.60510	1.0
831.75415	0.9
833.20801	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	833.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
66.77526	0.8
67.77955	0.7
71.01381	2.0
77.60939	0.8
81.03471	2.1
82.73849	0.7
83.01379	9.0
85.02955	0.7
90.82444	0.7
93.03461	5.6
95.01395	1.3
95.05035	3.6
97.02951	12.3
98.16888	0.8
101.02464	3.3
105.03474	1.6
107.05057	1.5
108.02164	1.1
109.02951	28.2
109.03672	1.0
113.02486	1.3
113.03505	0.7
113.55089	0.9
119.05021	1.6
120.02172	5.2
121.02947	7.3
122.03784	1.9
123.04517	29.1
124.01693	1.0
125.02443	73.5
125.76157	0.9
126.02800	1.4
133.02989	12.2
135.00868	1.0
135.04498	4.0
137.02448	50.3
138.02997	0.8
139.04024	5.0
143.05060	1.2
145.03035	1.6
146.03801	2.0
147.04573	1.7
149.02457	13.5
150.03116	1.1
151.04021	12.8
157.06609	2.0
159.04546	4.6
160.05191	1.5
161.02470	9.7
161.04843	1.2
161.06047	9.4
162.03323	1.0
163.00369	11.8
163.04015	6.9
164.01167	100.0
165.01938	21.1
167.03519	1.1
171.04463	1.0
173.06126	1.8
175.04062	8.1
175.07700	1.4
176.01163	5.4
177.01947	15.5
179.03535	5.5
185.05995	6.0
186.06882	1.1
187.04005	8.4
187.07651	1.4
188.04776	5.3
189.01878	1.0
189.05542	1.5
190.02747	1.4
199.03952	1.0
199.07623	1.8
201.05586	2.0
202.06419	1.7
203.03458	0.9
203.07176	18.6
205.01463	5.3
205.05121	8.6
214.02837	1.2
215.03581	1.2
217.04976	1.5
217.08684	0.9
219.03178	1.0
221.08214	3.1
225.05595	1.1
227.03566	1.2
227.07159	5.3
228.04285	1.6
229.05124	6.2
241.05124	1.9
242.02431	1.1
242.05453	1.4
243.03047	3.5
243.06560	1.0
245.08183	14.3
251.11345	3.2
253.05199	1.6
255.03084	4.2
256.03720	1.8
257.04642	2.0
269.04599	4.9
270.05096	1.3
271.06168	38.2
273.07761	11.3
283.06055	4.2
284.06534	1.4
285.04059	1.4
289.07220	65.2
290.07742	1.7
311.05704	5.3
312.06018	3.4
329.06720	1.3
361.22232	1.0
390.62961	1.2
395.07834	6.4
396.08286	7.0
397.08810	6.4
407.07767	10.2
413.08536	1.1
417.09866	1.7
431.09641	1.1
433.09491	3.0
435.11066	7.7
436.07669	1.9
499.49567	1.0
543.13007	18.3
559.12628	1.5
561.13538	7.7
600.53381	0.9
685.38007	0.9
744.60510	1.0
831.75415	0.9
833.20801	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	831.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
63.96236	0.8
64.70902	0.4
69.03481	0.5
71.01388	11.0
73.02950	2.4
78.98604	8.2
79.95746	30.7
80.79482	0.4
80.96524	88.9
81.03446	0.8
85.02962	3.5
87.00891	3.4
94.98090	22.7
96.96008	1.8
97.02962	1.7
99.00881	0.8
101.02436	4.0
106.98095	5.6
122.97584	4.9
125.02426	5.5
127.04003	0.6
134.96648	0.5
134.97591	8.8
136.99123	2.8
146.97507	0.5
148.97995	0.4
148.99150	9.7
152.97449	0.5
152.98634	10.8
161.04541	0.8
164.98630	19.8
167.00192	0.8
182.99492	0.4
206.99687	5.5
225.00775	36.0
241.00282	0.7
255.23329	2.8
283.04980	3.5
293.21259	0.5
341.05823	3.0
355.07010	2.1
398.63797	0.4
537.27234	4.7
575.25439	2.2
609.29749	2.4
623.31110	0.4
637.32410	1.4
651.34607	0.6
665.36401	0.5
693.38965	0.8
733.41956	1.6
772.11053	0.5
831.49408	100.0
832.49829	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	831.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60532	0.3
59.01392	1.5
59.75019	0.3
62.37672	0.3
65.03962	0.3
69.03458	0.8
71.01389	0.3
78.38682	0.3
81.03462	0.8
83.01385	4.2
92.10822	0.6
93.03463	8.3
95.01387	0.5
95.05037	1.5
97.02948	8.2
105.03468	0.6
106.06645	0.7
107.01435	0.4
107.05038	1.6
108.02208	0.5
109.02962	3.7
115.46852	0.3
117.03458	1.9
119.05016	2.0
121.02943	2.9
121.06580	1.4
122.03687	0.4
123.00864	0.4
123.04494	3.7
125.02439	42.5
131.05002	0.5
132.02040	0.3
133.02979	4.7
134.03745	0.8
135.04503	4.0
137.02448	22.7
138.03220	0.7
139.04025	2.4
143.05049	0.5
145.02989	0.7
145.06619	1.6
147.00902	0.6
147.04552	2.2
148.01697	1.4
149.02448	27.5
150.05594	0.7
151.04039	1.9
153.01967	1.4
155.05031	0.5
157.06590	0.6
159.04533	1.6
161.01102	0.7
161.02449	21.9
161.06059	0.7
162.02977	0.4
163.00369	6.6
163.04027	1.2
164.01149	4.7
165.01924	1.6
165.05540	1.9
166.02701	0.6
169.06593	1.2
171.04504	1.7
172.05338	0.4
173.02534	0.3
173.06041	1.5
174.03162	0.4
175.04050	3.4
176.01170	2.1
177.01930	5.7
178.02771	0.5
179.03491	0.6
181.06651	0.8
183.04512	1.4
185.06081	1.5
187.04008	3.0
187.07585	2.9
189.01921	0.8
189.05577	8.0
191.03513	0.8
195.04570	0.5
197.06075	1.9
199.04010	4.9
199.07684	0.6
201.01994	0.8
201.05612	2.1
203.03514	0.6
205.01436	0.6
205.04930	0.4
205.08682	2.4
211.03998	1.3
212.04738	0.6
213.05598	3.6
215.03537	3.6
217.01521	0.4
217.05110	1.3
219.02977	0.3
223.07674	1.3
224.04716	1.2
225.05550	3.4
226.05849	0.4
227.03499	2.1
229.05122	2.5
229.08685	2.8
231.03101	0.5
231.06606	2.3
233.04648	0.4
239.03450	0.5
239.07222	0.6
240.04253	1.5
241.05099	5.2
241.08801	0.4
243.02980	7.1
245.04556	0.4
253.04971	1.6
255.03008	7.6
255.05945	0.5
255.06670	0.5
256.03802	4.1
257.04514	2.1
263.07050	0.4
265.05042	0.8
267.03058	0.5
267.06638	2.1
268.03815	1.2
269.04547	23.7
270.04953	0.4
273.07693	16.6
275.05975	0.4
279.03195	0.4
279.06705	0.4
281.04904	0.8
281.08249	1.4
283.02527	0.4
283.05859	0.4
291.06549	2.6
293.04630	1.6
293.07996	0.4
299.05612	5.1
301.03641	0.6
304.01328	0.4
309.04120	0.7
309.07706	1.5
319.06250	0.6
323.09457	0.7
333.07776	0.6
363.96335	0.4
375.05078	0.4
391.08273	1.4
394.07098	0.5
395.07758	100.0
396.08142	1.9
407.07703	1.3
421.09177	0.5
434.06506	1.4
435.06897	1.8
435.11230	1.9
445.09192	0.5
447.07343	0.5
525.08276	2.4
539.09705	3.9
543.09406	5.3
557.10925	21.8
661.13940	0.7
679.14764	5.2
695.14172	2.5
831.19348	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	831.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
59.41425	0.8
71.01374	9.6
73.02957	4.5
73.36937	0.8
77.04001	1.3
80.02528	0.9
81.03477	3.9
83.01388	7.1
85.02976	5.6
93.03457	10.3
94.72061	0.7
95.01384	2.0
95.05024	1.9
97.02943	11.1
101.02432	10.7
101.63273	0.8
108.02182	0.8
109.02965	21.4
109.03701	1.4
113.02454	4.7
117.03481	3.8
119.04984	1.4
120.46802	1.0
121.02936	9.2
122.03774	1.8
123.00834	1.0
123.04520	16.5
125.02442	52.4
131.05060	0.9
133.02968	5.5
135.00951	1.0
135.04550	5.5
137.02443	22.4
138.03264	0.9
139.04027	3.8
143.05110	0.8
145.02991	1.8
145.06668	1.2
147.00908	0.9
147.04510	1.8
148.01677	1.7
149.02440	33.3
150.03186	1.0
151.04039	8.8
152.81111	0.8
157.06650	0.9
158.03517	1.0
159.03241	1.0
159.04543	5.8
161.02460	12.3
161.04585	5.7
161.06085	4.3
162.03204	1.2
163.00366	24.9
163.03984	4.0
164.01163	14.1
165.01930	6.5
165.05621	1.7
167.03380	1.0
171.04543	1.1
173.06023	1.2
174.03195	1.1
175.03998	5.0
175.07610	1.2
176.01146	8.3
177.01933	14.1
179.03503	4.2
181.06549	1.1
185.06116	1.6
187.03963	7.2
188.04813	1.9
189.05580	5.6
191.03508	3.2
197.06068	1.7
199.04028	3.7
201.02074	1.0
201.05594	4.4
202.06393	1.2
203.07130	9.8
205.01428	12.9
205.05009	6.6
207.06601	1.0
212.04820	1.1
213.05614	1.9
215.03615	1.4
215.07069	1.1
221.08138	1.9
224.04750	0.9
225.05699	2.0
227.03549	1.5
227.07132	1.6
229.05049	3.7
229.08725	1.6
231.06670	1.3
239.03464	1.5
239.07143	1.0
241.05072	8.1
243.02963	5.2
245.08244	11.8
251.11368	20.1
253.05128	3.6
255.03003	3.8
256.03906	2.1
257.04553	1.5
267.03143	1.2
267.06607	3.1
268.03812	4.3
269.04611	23.9
271.06207	1.7
273.07739	17.8
281.04547	3.8
283.06128	23.5
289.07193	32.9
291.06750	1.1
293.04584	1.5
308.03320	1.5
311.05685	31.9
312.06607	1.3
319.06146	1.1
321.08167	1.1
323.05685	1.2
328.05960	3.8
329.06760	6.7
329.65167	0.9
341.06613	3.9
394.06711	1.0
395.07770	100.0
399.13055	19.6
407.07663	3.5
415.08243	1.5
431.09842	21.5
434.06555	8.4
435.11258	18.2
445.09641	1.1
495.79660	0.9
541.11444	17.4
543.09485	2.1
668.90729	0.9
677.12988	7.2
791.55219	0.9
813.17706	1.3
831.19043	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	831.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41981	1.5
59.80770	1.9
59.95316	1.3
73.80782	1.6
79.74876	1.6
83.01382	6.5
85.14581	1.5
92.10158	3.1
93.03442	9.1
95.01394	1.9
95.05032	7.1
97.02946	27.2
107.05078	2.5
108.02145	2.2
109.02331	1.8
109.02943	14.9
111.72363	1.9
119.01382	1.8
119.05025	2.9
121.02975	10.7
123.04523	9.6
125.02442	62.4
133.02937	14.5
135.00885	3.5
135.04535	13.2
137.02444	34.4
138.03241	2.0
139.04001	3.3
143.05109	1.5
145.06561	3.2
147.00879	3.7
147.04494	5.8
149.02457	38.4
151.04030	3.6
155.67780	1.6
159.04495	3.1
161.02446	6.4
163.00380	67.8
163.03978	2.8
163.99881	2.1
164.01178	45.2
165.01910	8.9
167.04886	2.0
171.04489	2.7
173.02452	2.1
173.06064	2.4
175.04019	12.9
176.01190	17.8
177.01961	30.7
178.02701	3.6
183.04530	3.4
185.06055	9.2
187.04073	8.0
187.07645	8.7
189.01978	2.7
189.05626	13.1
199.04051	7.0
201.01929	3.8
202.02707	2.4
202.99841	2.9
203.07236	2.4
205.01462	8.9
205.08679	7.1
211.04082	6.1
213.05576	8.0
214.02846	4.0
215.03522	7.1
216.04225	1.9
217.05101	10.9
225.05649	2.0
227.03528	9.6
229.05031	8.9
229.08670	7.8
231.06601	2.6
237.05695	2.0
239.03523	2.6
239.07031	2.9
241.05093	9.1
243.02933	8.6
253.05043	2.3
255.02989	21.7
255.06726	2.6
256.03732	4.0
257.04532	11.8
267.03006	2.5
268.03757	1.8
269.04565	9.9
271.06223	11.7
273.04645	2.2
273.07739	49.0
281.04349	2.2
282.01614	3.4
283.02478	18.4
283.05881	3.2
284.03265	8.6
285.04083	62.6
285.07437	2.8
296.03339	3.4
297.04080	6.7
306.01794	2.2
307.06183	8.2
309.04117	2.0
312.06470	16.7
313.07294	3.3
323.05692	2.7
324.02783	6.7
325.03619	8.1
389.06842	5.8
391.08606	6.1
411.07263	100.0
412.07797	2.3
419.11322	18.7
431.07632	15.8
450.05927	20.2
539.09808	8.3
545.14404	3.1
557.02795	3.2
557.10974	63.2
695.14368	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	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	13.3
61.48440	1.9
67.69219	1.8
68.20467	2.1
69.03473	3.0
71.01405	11.4
75.38907	1.9
76.22805	1.7
78.12250	1.9
85.02975	10.6
89.02449	4.8
97.06613	3.9
101.02442	8.6
107.10250	1.9
109.06548	2.1
113.02438	3.5
140.90779	1.9
155.10718	2.6
161.04582	2.9
167.10776	3.8
171.10295	28.4
179.05595	2.0
179.10838	2.7
179.14418	4.8
183.13927	2.2
195.13882	16.9
197.11877	3.6
205.12360	17.6
209.11844	3.0
211.13405	29.5
212.26132	2.1
221.11729	4.5
223.13408	100.0
229.14491	18.4
235.08310	13.4
239.13133	2.2
253.09305	28.9
291.19699	13.2
293.83575	2.4
309.20630	15.7
314.25305	2.4
327.21799	94.5
459.22372	17.9
545.29773	4.1
563.30841	9.7
769.44629	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	829.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	1.4
62.93548	1.1
70.40884	0.9
71.77070	1.1
76.01498	1.1
114.39417	1.3
115.02580	1.6
137.32652	1.3
157.03577	5.8
159.01524	19.8
160.01729	1.5
161.01276	1.3
201.02580	94.4
202.02678	15.9
203.02283	11.3
217.00446	3.0
250.28984	1.2
301.02695	5.9
302.02747	1.9
343.03748	30.9
344.03812	11.8
345.03622	11.2
653.11285	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	829.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.9
71.01391	15.5
81.03475	3.9
83.05039	12.5
85.02950	2.5
87.00907	3.4
89.02453	9.7
92.98833	2.4
94.85271	2.3
97.02953	3.5
101.02436	11.7
109.06599	30.8
113.02422	4.7
121.06629	2.8
123.04543	3.6
125.02396	4.1
125.09733	13.1
135.08202	5.4
153.09193	9.4
159.80843	2.3
161.04636	3.5
163.11285	27.7
165.12817	4.2
171.10248	19.6
181.12355	4.8
185.11847	14.8
191.10745	2.5
197.11900	19.5
202.36082	2.4
207.10310	94.2
209.11871	100.0
223.13477	4.1
225.11339	42.5
227.12988	2.9
245.19019	3.2
253.09241	3.2
287.16492	4.2
289.18134	10.2
305.17694	19.6
307.19220	31.7
309.20435	3.2
323.18677	2.8
325.20300	10.4
409.05530	2.5
461.20358	10.2
469.09955	2.5
497.28976	4.0
515.30554	3.0
541.26788	9.3
541.63818	2.9
543.28510	3.8
664.01489	3.7
733.37677	17.2
734.39044	3.3
751.38940	30.1
769.40289	34.7
851.97827	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	825.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41071	73.2
101.02634	61.7
119.70426	100.0
386.68127	80.5
447.39316	79.6
472.72394	72.6
498.72461	91.3
633.86530	87.4
736.32867	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70848	3.9
59.01395	24.2
59.57860	3.5
61.98799	3.8
71.01366	5.4
85.69852	4.5
87.00874	5.6
101.02434	9.6
125.09721	7.0
127.07619	4.6
144.14803	4.7
153.09236	18.0
163.11319	5.5
165.12915	4.9
165.65617	4.6
171.10254	28.0
178.11751	5.2
185.11787	7.3
195.13918	16.9
197.11848	9.6
205.12334	8.0
209.11868	100.0
223.13426	84.4
245.19115	7.8
253.09280	21.0
289.18057	38.7
307.19214	92.8
325.20270	34.4
525.27148	6.9
543.28314	31.4
561.29535	7.0
680.33112	6.9
702.08521	4.8
749.41339	26.7
767.41187	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	823.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	14.2
61.98865	2.4
71.01392	13.6
78.95943	10.4
80.96529	4.6
82.95431	4.7
85.02952	2.2
89.02471	10.7
97.06608	13.6
101.02457	4.5
113.02487	4.1
119.03619	2.5
123.08190	9.8
125.09731	100.0
152.99588	3.2
187.09781	81.2
221.06662	4.1
255.23387	22.6
264.68082	2.3
331.79437	2.3
486.42572	2.9
689.41107	2.6
823.47095	84.5
824.47632	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	821.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.4
65.01347	1.0
68.35905	1.2
71.01402	7.0
72.47207	1.2
89.02466	5.2
92.09967	2.0
95.67285	1.2
101.02457	1.9
102.55325	1.1
111.08163	12.7
113.02506	1.2
160.02141	1.2
161.04625	1.6
167.10793	2.1
177.12878	2.6
195.13931	21.4
215.54436	1.3
223.13408	6.7
236.27724	1.2
247.20670	1.5
253.09341	13.8
275.20172	7.9
291.19702	100.0
293.21262	89.4
455.89758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	9.9
71.01405	9.2
83.22073	4.4
99.28541	4.7
104.21571	5.7
113.02381	4.6
135.08128	5.7
163.11394	7.2
185.11780	6.3
207.03745	4.6
207.10324	22.7
209.11870	100.0
219.49068	4.4
225.11353	18.7
227.12769	9.4
253.09378	10.3
261.88275	4.8
305.17703	37.5
305.31622	5.6
307.19275	10.1
329.48282	5.6
341.23303	6.2
714.35919	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	821.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
57.69821	1.6
58.44928	1.5
58.46172	1.8
59.01391	9.8
61.98844	12.1
64.34946	1.5
71.01396	6.7
76.23817	1.5
78.95916	3.2
80.96555	2.2
82.95428	17.5
89.02472	7.6
92.10823	4.4
101.02457	7.7
111.08168	11.5
113.02452	3.5
113.89719	1.8
115.02434	2.2
161.04634	3.1
169.12369	3.7
192.03413	1.6
195.13908	12.6
197.11853	59.5
199.13426	3.0
211.13422	8.5
223.13475	8.1
225.18425	1.8
227.12959	1.8
235.08228	2.4
253.09366	28.7
263.20126	3.5
264.09207	2.3
275.20224	6.8
291.19778	15.7
293.21280	100.0
309.20773	51.1
311.66998	1.6
367.56351	1.7
412.94421	1.7
418.51413	1.8
539.62567	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	819.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.0
73.02943	1.5
78.95909	1.1
78.98590	6.3
79.95737	11.6
80.96514	78.8
81.03448	1.4
83.01366	1.1
85.02959	4.3
87.00863	1.8
94.98087	14.3
97.02940	1.4
101.02442	1.9
106.98075	5.0
122.97570	2.6
125.02451	2.1
127.03928	1.8
129.33290	1.1
134.97615	8.4
147.18692	1.0
148.99126	7.1
150.24989	1.0
152.98621	9.0
164.98593	17.2
189.20937	1.1
196.89482	5.4
206.99733	3.8
225.00745	22.2
256.77066	1.2
339.57089	0.9
382.03253	1.2
403.76343	1.3
461.36621	1.2
529.30457	1.1
537.27490	2.6
587.99078	1.2
693.44897	1.3
819.53015	100.0
820.52991	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	821.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	8.5
61.31211	2.6
61.98846	10.8
62.99996	1.4
71.01398	3.5
74.60383	1.5
78.95929	2.8
80.91705	1.6
82.95419	12.4
85.02995	2.1
89.02470	6.9
101.02465	7.4
110.77776	1.6
111.08178	13.9
113.02495	1.6
161.04578	2.8
169.12379	1.8
195.13940	10.1
197.11856	54.5
211.13393	9.1
223.13423	4.0
249.07823	2.0
253.09280	25.0
263.20074	2.7
275.20145	8.1
277.21765	16.6
291.19763	17.5
293.21265	100.0
309.20801	61.6
408.24719	2.0
448.42999	2.8
492.69327	1.9
523.29755	2.0
586.65259	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	819.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
59.95275	0.2
63.64310	0.2
65.20190	0.2
68.65412	0.2
71.01378	3.6
72.45764	0.2
73.02944	2.2
73.90147	0.3
83.01401	1.0
85.02972	2.1
89.02426	2.1
89.12022	0.3
97.02948	0.6
99.04515	1.5
101.02438	2.0
101.06117	0.6
105.03453	0.3
109.02959	1.8
111.00874	0.3
113.02443	4.3
117.03474	0.3
119.03513	0.5
123.04491	0.4
129.01917	0.4
132.02209	1.2
133.02954	27.5
134.03714	0.5
135.04526	16.4
136.61488	0.3
137.02449	0.5
148.05330	0.4
149.06120	1.3
152.54280	0.3
153.01915	1.6
161.02444	100.0
162.02821	1.1
175.04004	1.7
177.05554	4.2
179.03499	19.2
189.05608	0.6
195.03012	0.3
203.03525	11.4
221.04507	3.2
233.04504	0.5
251.05647	1.6
281.06631	3.4
323.07965	0.6
341.08807	25.9
342.09299	0.3
413.10794	0.5
437.10873	0.6
439.12506	27.5
471.15231	1.4
516.58118	0.3
846.24536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98827	9.0
61.99078	0.7
62.77259	0.6
71.01389	3.0
72.99339	0.7
73.02942	0.8
74.87890	0.7
76.51721	0.7
80.96527	1.1
85.02965	1.2
85.42590	0.6
89.02466	2.9
91.80177	0.6
93.14786	0.8
101.02476	1.0
116.92841	1.0
125.02425	1.0
141.01706	30.3
163.75952	0.7
197.11783	4.0
202.93802	0.7
225.00865	0.9
277.21796	7.4
332.31821	0.8
359.21994	4.0
386.03882	0.9
397.13577	9.3
419.11478	1.4
437.12857	5.1
697.33234	3.5
760.61780	0.8
827.74835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98837	19.0
71.01400	2.8
73.89965	0.5
76.42083	0.5
79.04913	0.5
80.96554	0.6
85.02959	0.6
89.02469	2.8
92.10094	1.7
101.02458	2.6
113.02470	0.7
125.02398	0.5
141.01707	32.5
195.63553	0.5
197.11870	1.2
239.62236	0.6
253.09488	0.6
277.21814	7.1
359.22086	4.1
397.13626	8.2
415.14279	0.8
419.11588	0.9
437.12854	2.6
485.53223	0.7
697.33521	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	817.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17892	1.0
59.01397	7.8
71.01381	4.8
83.01368	1.9
85.02979	1.9
95.01393	2.8
96.96024	1.8
97.02977	1.3
97.59026	1.1
101.02430	2.5
108.02165	1.6
109.02956	53.9
113.02467	1.9
123.00918	1.8
124.01643	2.0
125.02431	3.1
133.02924	1.7
152.01146	22.3
153.01947	80.7
159.04524	5.0
160.05310	8.7
172.05295	22.1
173.06062	6.5
175.03970	1.9
175.07704	1.5
185.06082	7.1
186.06908	1.8
187.03989	11.0
187.07484	1.7
195.02997	78.5
199.04071	9.8
200.04793	9.6
201.05579	7.9
202.06345	1.9
204.04248	6.0
211.07640	1.7
213.05571	1.9
214.06451	1.2
225.04001	5.6
227.03532	25.8
228.04387	14.1
232.03751	1.4
234.38765	1.3
237.03995	1.4
245.04456	2.9
255.05103	29.0
257.15448	2.3
281.11600	1.6
283.13434	100.0
297.06165	3.1
301.14508	33.0
309.15067	18.6
311.12909	21.0
325.14484	5.1
327.12424	20.1
327.16098	11.1
329.13928	16.4
343.15317	1.6
345.13388	11.6
345.17181	15.7
351.15857	1.8
353.13809	11.8
369.13351	1.9
371.15100	38.4
387.14597	13.0
413.15985	5.4
431.17102	5.6
583.18530	4.9
609.20428	1.9
627.21039	14.3
643.20239	5.0
669.22479	1.8
687.23108	54.4
785.26709	38.5
801.05634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
78.95924	1.6
84.72245	0.6
93.18658	0.7
107.83753	0.8
131.07330	0.7
136.66911	0.7
207.44183	0.7
295.42831	0.7
380.62265	0.7
445.68527	0.9
616.53491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.4
57.03713	0.3
57.64998	0.2
59.01393	0.3
59.65906	0.2
65.03992	0.3
67.01896	0.4
69.03462	1.2
71.29321	0.3
81.03475	1.4
83.01392	4.6
89.04002	0.3
92.10822	0.6
93.03457	8.1
95.01390	2.2
95.05043	2.9
96.95998	0.3
97.02953	12.3
99.04512	0.5
103.04670	0.3
107.05034	2.2
107.51681	0.3
108.02194	2.1
109.02956	6.0
119.05032	2.4
120.02179	5.5
121.02963	3.2
122.03742	0.6
123.00874	0.6
123.04527	12.9
124.01653	1.7
125.02443	41.1
126.02785	0.4
131.05029	0.6
133.02960	12.0
134.03729	2.0
135.00864	0.5
135.04549	5.4
136.01608	0.4
137.02446	38.4
138.03218	1.6
139.04053	2.8
139.99075	0.3
143.05095	1.0
145.02986	1.4
145.06606	0.7
146.03757	1.1
147.04538	1.9
148.01697	0.5
149.02469	4.2
149.06075	0.4
151.04010	3.1
156.05820	0.6
157.06558	1.9
158.03729	0.5
159.04517	2.6
160.05281	0.4
161.02472	0.7
161.06104	4.5
163.00375	13.6
163.04045	3.0
164.01160	100.0
165.01942	21.0
166.02686	0.5
171.04419	0.7
172.05313	0.3
173.06096	0.5
174.03264	0.5
175.03992	3.4
175.07658	0.4
176.01170	6.3
177.01927	14.7
178.02722	2.2
179.03496	1.2
181.06587	0.4
183.04503	0.7
183.07895	0.3
184.05237	0.6
185.06085	6.2
186.06886	1.2
187.04005	5.0
187.07611	3.6
188.04785	0.6
189.01950	1.4
189.05594	5.2
190.02695	0.6
193.04993	0.3
199.04047	1.2
199.07619	2.8
201.05629	2.1
202.02808	0.3
202.99838	1.4
203.03606	0.6
203.07182	7.5
204.00464	0.4
205.01416	3.9
205.05176	0.5
205.08740	3.2
209.06075	1.3
211.04021	1.1
212.04845	0.6
213.05569	0.5
213.09196	0.4
214.02733	0.6
215.03549	1.4
217.05026	0.7
219.03056	0.7
225.05644	0.5
227.03525	1.2
227.07137	3.3
228.04286	2.7
229.05113	6.2
229.08659	3.3
230.05759	0.4
231.06638	1.5
239.07303	0.4
241.05186	0.5
243.02974	1.4
243.06773	2.1
253.05119	2.3
255.02998	2.2
255.06705	1.6
256.03772	1.3
257.04523	1.2
267.06467	0.5
269.04626	1.2
269.08157	0.7
270.05261	0.6
271.06143	50.6
272.06567	1.2
273.04691	1.1
273.07706	24.9
281.08066	0.5
283.06036	1.6
285.04218	0.6
285.07779	1.5
299.09317	0.4
310.04907	0.7
311.05576	1.5
311.09030	0.4
312.06381	5.0
313.07159	1.6
321.07785	0.4
323.09323	2.6
325.07257	1.1
341.10248	0.5
347.09418	0.4
363.08655	0.5
365.10422	0.6
367.08365	0.4
375.08688	0.5
391.08450	2.5
397.09235	2.5
407.07733	3.1
409.09348	5.8
417.09650	3.9
419.11414	7.5
420.11737	0.5
436.07764	2.9
503.13306	0.3
525.11578	0.6
527.13544	1.6
543.13104	16.3
544.13477	0.6
545.14575	8.5
571.69781	0.4
663.14331	0.5
817.21729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55181	0.7
59.01389	5.8
62.56112	0.7
68.86721	0.6
71.01397	1.8
71.76836	0.6
72.79830	0.8
79.23693	0.7
80.02740	0.8
81.03465	0.8
82.51902	0.8
83.05045	4.3
89.02441	1.3
101.02461	3.5
107.78258	0.7
113.02474	0.7
163.11292	4.5
165.12854	1.1
177.97758	0.7
209.11867	100.0
227.12950	7.9
235.08302	1.8
253.09348	6.5
277.21765	75.7
278.22101	1.1
370.61377	0.9
435.14029	0.9
436.97235	0.8
445.20865	1.5
542.62750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
71.01392	4.2
73.02963	0.8
75.00888	3.2
85.02962	4.1
87.00874	9.5
87.26234	0.6
89.02475	1.2
93.03429	0.6
96.96004	0.6
101.02454	3.8
101.75626	0.6
102.78530	0.6
105.03480	0.8
108.02272	0.6
109.02960	7.0
110.58105	0.6
113.02443	7.9
117.64175	0.6
119.03463	0.6
119.05027	7.4
121.02946	17.2
121.19565	0.6
123.04512	5.5
130.08142	0.5
133.02956	14.9
134.03722	0.6
135.04524	100.0
137.02441	49.4
139.04034	1.4
147.04543	0.8
149.02406	6.2
149.06134	3.5
151.03981	0.8
153.05566	1.2
161.01086	1.4
161.02449	43.0
161.05989	0.8
163.03996	5.8
165.04042	5.2
167.03450	1.3
175.04018	3.2
177.01968	0.8
177.05559	9.5
179.03520	21.9
179.05228	1.0
181.05035	0.8
189.05661	0.8
191.03539	4.3
193.05069	1.3
195.03145	0.7
195.05042	0.9
197.04555	2.9
203.03542	13.3
207.06602	0.6
209.04579	9.8
209.22765	0.7
221.04602	5.6
239.05638	11.1
251.05609	3.5
269.06708	5.4
281.06497	5.1
299.07758	13.6
323.07831	1.0
328.71689	0.7
341.08859	12.7
359.09885	22.0
360.09802	0.8
413.10861	2.6
439.12698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.2
69.03455	1.8
81.03458	2.7
83.01397	5.8
93.03457	15.2
95.01389	2.5
95.05039	2.3
97.02948	19.9
107.05019	3.0
109.02979	2.9
113.91783	1.2
120.02156	1.7
121.02962	2.7
123.04502	11.3
125.02437	47.1
133.02937	9.4
135.00874	2.9
135.04521	9.0
137.02448	32.2
138.03241	1.6
143.04988	2.2
143.13858	1.5
145.02960	1.8
145.06525	1.9
147.00902	1.8
147.04514	2.9
148.01688	1.7
149.02448	30.1
151.04024	1.4
157.06593	1.6
159.04533	2.0
161.02432	2.3
161.06049	1.6
163.00377	73.9
163.04025	2.3
164.01166	34.7
165.01913	8.8
169.06540	2.0
171.04413	1.3
173.06085	1.4
175.04028	2.6
176.01160	21.0
177.01942	29.6
178.02684	6.9
182.72873	1.3
185.06062	1.7
186.07039	1.7
187.04005	3.3
187.07608	6.7
189.01988	1.8
189.05611	14.0
192.00581	1.7
197.06082	2.0
199.03969	9.1
201.05563	2.8
205.01424	9.3
205.05112	1.5
205.08714	6.1
207.03139	1.4
211.04065	2.8
213.05620	3.3
215.03487	5.3
224.04836	1.7
225.05536	6.2
227.03700	4.0
229.05089	2.2
229.08664	5.1
231.06642	2.0
239.03516	1.5
240.04268	1.6
241.05051	10.1
241.08685	2.3
243.02907	7.4
252.04346	2.0
253.05038	8.2
255.03017	13.7
255.06653	2.9
256.03818	5.7
257.04599	2.0
267.03128	1.4
267.06534	2.4
268.04056	2.1
269.04559	37.6
271.06174	2.8
273.07706	27.2
281.04520	5.3
283.06131	3.2
285.07440	1.7
291.06735	2.6
293.04489	1.3
295.02417	6.0
295.06015	2.2
308.03510	2.4
309.04114	2.3
312.06479	19.1
313.07263	7.3
320.07059	2.5
333.07645	1.7
395.07782	100.0
407.07861	5.1
419.11429	16.8
434.06448	33.4
435.07288	19.1
525.08582	2.3
541.11475	79.0
542.11658	2.6
543.09540	7.6
568.59534	1.7
583.05444	2.2
679.14777	7.4
797.19128	2.4
815.20135	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	814.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56501	0.7
59.01378	1.0
59.60211	0.8
61.98833	100.0
62.64326	0.9
78.95941	2.1
82.93904	0.9
131.78677	0.9
224.13756	1.6
237.23413	1.0
293.21280	1.4
294.21707	1.0
310.20926	1.2
451.64575	1.1
614.13647	1.0
665.72925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98834	100.0
67.99814	0.3
78.95897	0.5
90.62064	0.3
91.04918	0.3
91.72206	0.4
96.34820	0.4
107.28051	0.4
197.11824	0.6
198.11978	0.5
223.13368	0.6
224.13803	0.7
227.12596	0.4
333.48621	0.5
518.23938	0.4
818.69769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69574	1.9
59.01387	11.9
59.10394	1.9
61.90294	2.1
63.28412	1.8
66.11331	1.8
71.01382	2.0
73.02937	2.4
73.59680	2.8
80.05079	3.6
93.98963	2.1
97.67372	2.1
106.06622	100.0
109.02899	2.5
118.06658	4.3
120.08163	4.3
132.04541	19.6
134.06165	4.8
143.72197	2.1
148.04047	2.3
150.05641	19.8
152.07234	5.1
176.03514	3.8
190.05188	2.2
195.05125	3.3
197.07179	2.6
197.10834	2.4
205.35478	2.3
209.10735	3.1
210.08011	8.8
211.08820	78.6
212.09502	10.9
223.08777	11.6
224.09552	9.2
225.10333	18.4
226.07527	14.8
226.11053	10.4
227.08307	4.1
227.11917	20.8
237.10374	9.8
238.11082	3.1
239.08252	29.2
239.11902	15.3
250.07411	5.1
251.08102	2.8
253.09842	13.3
253.13400	2.9
254.07014	5.5
254.10548	3.3
256.09634	3.0
259.10815	4.4
265.09781	12.2
267.07657	16.1
267.11453	5.0
270.10068	14.6
271.10983	9.3
277.09824	5.2
278.10507	2.7
280.08551	3.0
281.09357	34.8
282.09976	4.4
283.10913	51.7
295.10895	21.9
298.09631	2.9
302.16577	3.8
307.85468	2.4
315.09915	3.4
327.09760	9.9
330.16132	4.2
384.16879	7.6
428.16284	4.8
434.16965	3.8
446.17239	5.7
447.06577	2.6
472.15274	3.5
490.16422	16.0
516.14349	3.3
522.18976	51.9
534.15356	20.1
548.16901	20.3
566.17706	57.2
738.21802	20.0
739.22229	2.6
770.24335	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	813.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.4
59.98885	1.6
64.04166	1.8
71.01402	10.2
78.95876	2.2
83.05038	5.0
85.02991	2.6
86.79339	2.1
89.02447	4.4
97.02972	12.1
101.02470	4.1
109.06586	38.7
111.08128	7.4
113.02463	2.0
125.02477	3.8
135.08188	3.2
152.99617	2.3
161.09763	2.5
163.11293	25.1
169.12338	2.9
181.12390	4.3
185.11861	3.8
189.08992	2.9
197.11850	46.7
199.13623	3.0
207.10312	100.0
209.11871	52.7
211.13394	7.7
223.09598	2.5
225.11353	37.7
227.12961	3.7
245.19157	3.1
253.09196	22.7
289.18073	25.8
291.19675	14.0
299.14822	2.7
307.19153	17.9
309.20746	48.8
407.85480	2.5
443.19461	3.9
461.20319	9.9
570.27997	2.5
698.46899	2.4
753.40619	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	811.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01379	14.2
61.71775	1.2
68.51048	0.9
69.03471	1.6
69.37304	1.1
71.01395	2.6
81.08440	0.9
83.12047	1.2
85.02953	2.3
89.02467	4.9
92.66287	1.3
101.02459	5.8
109.06645	1.2
111.08166	7.4
113.02443	1.3
116.92941	1.3
119.03446	1.2
135.08133	1.3
161.04601	2.3
166.33740	1.1
167.10782	5.2
169.12303	5.3
179.10796	1.2
179.14424	1.5
181.83322	1.1
189.86533	1.1
195.13902	16.0
197.11839	36.5
197.13675	1.2
199.13429	1.9
205.12340	13.0
211.13492	4.4
221.11818	1.2
223.13405	100.0
235.08244	4.2
253.09297	12.9
291.19666	11.4
309.20798	39.6
459.22369	18.0
471.81711	1.3
545.22363	1.3
751.42853	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	811.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01384	16.3
60.54448	0.6
62.47216	0.6
64.23905	0.7
68.43956	0.7
69.03468	3.8
71.01385	4.0
73.02966	0.8
83.05024	0.9
89.02444	5.1
92.10207	0.7
101.02449	6.5
101.64006	0.7
111.08163	11.1
113.02463	3.4
114.38733	0.6
138.27110	0.7
140.34378	0.8
151.11340	1.4
153.12796	0.8
161.04556	1.4
163.11369	0.8
167.10789	4.3
169.12352	4.5
177.12834	1.0
179.05504	0.8
179.10770	3.2
179.14441	4.7
195.13901	13.5
197.11844	53.2
199.13425	3.2
205.12352	13.5
211.13487	6.1
223.13419	100.0
224.13672	1.1
227.12947	0.7
235.08295	3.7
236.66837	0.8
253.09297	13.7
263.20160	1.1
273.18689	0.9
291.19687	15.1
309.20773	49.9
310.92380	0.7
388.01828	0.7
459.22470	14.3
545.29846	3.6
581.47839	0.8
604.28387	0.8
751.43024	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	811.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.7
62.86784	2.2
63.20574	2.5
63.45289	2.7
69.03425	2.3
71.01397	6.2
78.95911	2.6
83.05028	6.6
85.02969	6.7
89.02448	3.1
101.02444	4.2
109.06617	3.8
137.12947	3.0
161.04594	3.1
171.10271	4.8
177.12869	11.0
195.13847	21.9
205.12257	3.7
215.34427	2.7
217.79521	3.8
221.11868	100.0
223.13408	24.1
236.00607	3.0
239.12924	45.7
243.80876	2.8
253.09331	16.6
275.20221	5.8
291.19772	13.2
293.21280	96.2
309.20840	15.4
341.02856	2.6
463.65836	3.0
475.21912	12.1
482.62210	3.0
546.92639	3.2
562.52234	3.4
595.50037	3.2
751.42523	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	811.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
59.56454	2.8
60.52005	2.8
65.93871	3.4
71.01392	3.7
72.66819	2.5
72.99315	11.9
74.71169	2.5
79.87943	3.3
89.02424	3.7
101.02479	3.9
124.04033	5.0
124.07658	34.7
129.01849	3.3
133.02969	6.0
134.06145	3.9
136.07632	3.6
137.66745	2.9
161.02448	5.0
162.05586	5.0
172.07738	4.1
178.05026	4.7
178.69803	3.1
184.07648	4.7
194.04604	3.2
201.08009	6.6
202.08673	6.2
205.51151	3.0
226.08818	6.9
226.11128	5.8
227.09883	3.5
241.13489	13.3
243.15007	12.3
251.08281	3.5
252.09027	36.7
253.09866	22.1
254.10504	5.7
255.07791	4.3
259.08539	5.1
265.09811	3.2
269.09277	26.0
270.10159	64.5
271.11008	22.3
271.13571	3.3
281.09253	4.3
282.10074	4.8
284.08047	4.3
285.12402	14.1
286.09775	5.2
287.14108	65.3
300.11258	4.3
302.09100	56.0
329.15012	5.9
343.65833	3.1
378.14880	3.7
392.15948	3.4
393.17120	6.0
513.24927	23.1
538.16956	3.4
557.24536	4.6
587.24744	6.2
605.26343	13.5
631.24023	6.7
649.25281	15.9
724.26654	3.4
811.30579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.7
61.98845	2.4
67.59938	2.7
68.61266	2.4
69.03477	3.2
71.01409	3.9
78.95950	6.0
88.80053	2.4
101.02460	5.7
117.96076	2.8
118.09346	2.6
125.09699	3.3
152.99644	3.7
163.11269	4.1
167.10760	4.1
179.14456	3.0
183.58472	2.6
185.11890	4.8
191.14449	4.2
195.13934	16.7
205.12398	12.7
207.10246	3.4
209.11812	10.1
223.13429	100.0
245.19037	6.1
252.99944	2.6
253.09311	5.3
289.18112	38.6
307.19220	35.9
382.92108	3.2
388.50909	2.9
445.03525	3.0
459.22427	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	809.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
76.71542	59.3
80.25514	64.7
85.59467	63.7
92.10912	100.0
100.13879	63.2
111.56791	58.0
116.22174	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70747	6.9
59.01400	13.9
71.01419	12.0
92.10846	17.8
101.02484	9.6
152.99619	8.4
163.11357	10.0
171.10323	17.0
197.11853	18.4
199.09787	12.2
207.10320	18.5
209.11884	73.8
223.09749	34.4
225.11333	12.4
234.21381	7.8
237.31549	9.2
253.09264	27.5
291.19699	10.9
293.21234	100.0
307.19308	31.3
309.20721	32.8
321.11429	7.4
459.68564	8.3
552.87543	10.2
735.39575	46.3
753.41864	11.4
769.39355	10.5
807.40631	15.1
830.71136	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	807.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	7.7
61.98875	1.6
71.01424	3.5
78.95917	1.8
80.96531	2.9
81.03491	2.3
81.49019	1.3
82.95377	1.3
83.05067	6.9
84.02167	1.6
96.02702	1.4
101.02493	2.1
135.08170	12.7
152.99609	1.6
189.08916	1.8
189.12831	17.9
233.11823	22.5
251.12968	2.4
253.09367	6.8
277.21741	100.0
284.39624	1.6
807.42889	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	809.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00077	0.1
57.03458	0.1
59.01384	2.1
60.95428	0.1
61.30504	0.1
67.01904	0.4
71.01387	1.0
73.02949	0.1
78.48422	0.1
78.81040	0.1
83.05025	0.2
85.02960	5.9
87.00880	1.2
89.02461	0.5
93.03458	3.4
93.03989	0.1
97.02934	0.1
99.04515	0.2
101.02465	0.4
109.02939	0.7
111.00912	0.1
111.04498	1.2
113.02460	0.5
115.15991	0.1
117.03462	0.4
119.03452	0.2
119.05013	1.1
127.03996	2.0
129.01955	0.1
132.02197	0.2
133.02950	4.9
134.03667	0.2
135.04526	3.2
137.02449	0.2
143.28444	0.1
145.02917	0.9
149.06104	0.2
155.03436	0.2
161.02446	19.4
162.02763	0.1
163.04005	1.1
164.22563	0.1
171.02982	0.5
173.04570	1.6
175.04015	0.2
177.05522	0.8
179.03494	3.4
191.05623	100.0
192.06013	0.6
203.03502	2.2
221.04607	0.5
233.04617	0.2
281.06659	0.6
337.09329	16.9
338.09647	0.2
341.08801	3.5
360.54633	0.1
370.49014	0.1
439.12521	4.1
547.64276	0.1
589.78247	0.1
742.42773	0.1
775.46277	0.1
840.75592	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	805.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	11.6
61.98837	100.0
73.97846	9.0
90.88457	10.2
105.75735	9.8
125.02462	17.0
132.28813	13.5
171.10336	14.7
185.12021	10.7
223.13408	54.6
318.47226	11.9
327.21780	72.0
372.86798	11.4
459.22263	12.8
754.20496	16.6
805.41516	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
66.84849	0.4
68.62291	0.3
71.01358	2.6
78.95940	0.4
80.96524	1.5
85.02950	0.6
89.02454	1.6
101.02454	2.0
111.08155	0.6
113.02452	1.5
113.34229	0.4
119.25057	0.4
126.34824	0.3
146.10558	0.3
161.04517	0.8
167.10820	0.5
179.14378	0.7
192.67314	0.5
195.13924	12.0
196.14723	0.5
205.12383	0.7
211.13376	0.4
223.13411	7.2
228.13603	0.8
235.08194	0.8
253.06924	0.6
253.09315	11.4
256.13284	1.5
275.20163	7.1
293.21255	100.0
294.21649	1.8
299.02707	0.4
430.35568	0.4
569.41998	0.9
805.40753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.0
61.98848	10.3
66.50142	9.2
71.01401	20.2
71.44601	9.2
72.67446	11.2
72.70162	9.2
78.95911	15.0
79.03117	9.5
98.55566	10.1
98.94737	11.2
101.02509	12.4
104.97287	9.0
109.06610	17.0
121.05398	12.3
125.02473	16.7
129.51237	12.2
156.31451	10.3
191.05472	11.7
196.52238	12.2
197.11804	16.9
207.10315	58.0
209.11885	100.0
225.11429	17.4
253.09123	12.4
289.18158	16.1
305.17456	20.9
307.19162	26.6
325.20248	14.7
348.62946	13.5
615.13074	15.2
634.48865	13.9
733.38269	51.9
751.39197	72.2
769.40106	68.2
805.37964	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13522	11.0
59.01402	13.5
61.98840	100.0
63.46896	11.6
71.46308	11.1
93.03521	10.3
119.43445	12.4
182.10010	12.8
197.11795	14.4
207.10286	62.1
225.11378	24.2
243.00220	12.2
288.20892	15.0
289.17972	25.4
769.40344	16.9
805.38727	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	805.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.5
63.41219	0.3
67.75714	0.3
71.01375	3.1
72.20543	0.4
73.02969	0.8
79.68550	0.3
85.02972	1.7
87.00891	0.4
89.02448	2.1
92.13290	0.3
100.44889	0.4
101.02451	1.5
107.48002	0.4
109.02961	1.4
113.02468	2.1
119.03513	1.3
129.01991	0.6
132.02151	0.7
133.02959	26.1
134.03763	1.4
135.03505	0.6
135.04526	16.5
137.02449	0.6
138.73766	0.4
148.05341	0.6
149.06126	0.5
161.02451	100.0
175.03998	1.8
177.05553	3.1
179.03517	18.8
189.05479	0.5
195.05089	0.7
203.03528	11.6
221.04633	3.6
233.04610	0.7
251.05501	0.8
281.06668	3.7
341.08798	26.3
343.33374	0.4
360.37177	0.4
439.12531	28.8
440.12909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.6
89.02435	3.9
95.95975	2.8
99.44567	2.4
104.68750	2.5
111.08163	12.4
156.36324	2.8
195.13931	15.3
223.13416	5.2
253.06801	3.2
253.09297	14.9
275.20059	5.2
277.21661	3.0
291.19708	100.0
293.21304	86.5
330.73425	2.9
436.06729	2.6
527.29321	3.8
609.35864	3.7
741.91315	3.6
803.47076	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	805.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	18.9
59.01412	1.3
65.00340	3.5
71.01450	0.5
71.93812	0.5
81.03073	0.6
81.03463	5.5
83.01393	10.6
93.03457	3.0
96.96041	0.9
107.01407	3.7
109.02989	0.6
114.39085	0.6
119.05019	25.8
123.03631	0.9
123.04520	25.7
125.02439	100.0
143.05054	3.4
145.02986	4.6
151.00403	10.9
161.02507	1.4
163.04051	1.3
165.01970	2.3
167.03497	45.9
173.02412	4.4
174.03214	1.3
175.04034	10.6
177.01933	0.9
183.04584	0.8
185.02446	1.4
185.06041	2.7
185.54575	0.6
187.04010	3.9
189.05548	0.9
191.03691	0.6
193.01405	1.0
197.02501	1.2
198.03110	1.0
199.04012	6.5
201.01942	12.4
203.03609	0.7
210.03265	0.6
211.04048	1.3
213.01965	3.6
213.05429	0.8
214.02727	1.1
215.03539	1.3
215.07280	0.7
217.05115	5.0
223.04022	1.3
225.01913	1.3
226.02834	0.8
227.03571	1.1
229.05022	0.9
239.03513	3.0
240.04289	2.2
241.01392	2.7
241.05080	6.6
242.02173	3.9
243.02963	19.3
249.05530	0.9
255.03052	2.1
256.00186	1.2
265.05078	0.8
266.02155	0.6
267.03000	11.7
269.00903	32.2
281.04337	0.6
283.02628	7.1
283.05673	1.2
285.04065	5.3
295.02350	1.2
303.06595	0.8
307.06039	0.8
309.04126	1.0
311.02045	15.0
345.07672	0.8
369.07623	1.0
376.05933	1.0
387.08810	12.6
388.05875	0.7
389.06711	38.0
402.07614	0.7
403.08328	3.9
405.09818	2.6
431.07925	7.6
447.08853	0.7
473.07462	0.7
513.11963	1.3
557.11011	21.3
593.13062	2.9
615.13959	1.1
635.14124	3.1
761.17322	22.9
761.31049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	1.9
59.01398	9.3
61.98838	2.3
62.77311	2.0
62.77627	1.8
69.03463	8.0
71.01388	3.4
80.96520	3.6
89.02431	4.1
97.02993	2.9
100.39011	2.0
101.01031	2.3
101.02468	2.8
108.37569	2.3
118.32288	2.4
123.04540	2.7
125.09731	3.3
133.21480	2.2
134.81140	2.0
153.12836	2.3
161.09724	3.9
163.11298	3.5
172.61049	2.2
179.10832	7.9
185.11795	2.6
191.14445	2.7
197.11865	91.6
207.10306	3.5
209.11877	9.1
223.13480	10.9
225.11340	8.0
241.10818	3.7
245.19044	8.7
253.09270	3.6
289.18106	20.4
307.19275	17.0
325.20178	2.8
408.74661	2.9
425.88318	2.7
543.28064	4.5
749.40253	9.7
767.38770	100.0
803.37854	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	803.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20991	2.1
59.01389	9.1
59.07856	1.9
61.98837	2.3
62.15089	1.8
63.15796	2.2
64.97050	2.0
69.03470	4.4
69.44599	2.6
71.01394	9.7
71.05048	2.1
78.95940	2.4
85.02970	2.5
89.02449	5.1
92.10122	6.6
101.02447	10.2
109.06606	2.5
113.02515	2.8
115.71886	2.1
125.09748	3.9
161.09691	4.5
163.11314	4.6
179.10770	4.8
185.11789	5.2
191.14407	2.7
197.11842	92.5
209.11873	3.1
223.13402	4.1
225.11359	4.4
241.10944	3.6
245.19109	13.0
253.09358	3.8
269.12607	2.1
278.55655	2.2
289.18170	24.6
307.19122	15.7
325.20361	3.1
370.62598	2.1
418.28024	2.7
444.46918	2.3
505.67044	2.2
749.40784	3.8
767.38690	100.0
768.38281	3.0
803.37354	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	803.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99552	2.0
59.01385	100.0
60.30519	2.3
61.87753	1.8
64.60822	1.9
69.03500	2.9
71.01384	40.3
73.02950	61.8
75.00885	4.0
79.91470	1.9
83.01402	18.1
85.02988	8.2
87.00890	4.6
89.02454	4.7
90.80058	2.2
95.01361	2.7
97.03027	2.5
100.82355	2.0
101.02447	45.8
102.06538	2.0
109.02930	4.2
113.02460	26.3
119.03488	4.0
121.02987	10.7
122.03723	5.2
123.04508	2.5
126.72597	2.0
129.01895	2.7
131.03519	3.3
133.02936	9.0
135.04552	3.9
136.53873	2.4
137.02528	2.7
146.03705	2.8
147.04547	4.4
149.02454	21.6
149.04465	4.0
150.03232	53.1
151.04076	4.0
152.04268	2.7
153.01932	9.3
161.02449	23.0
161.04578	11.8
162.03235	28.8
164.04787	3.9
165.05577	43.2
177.05531	11.4
178.02759	2.5
179.03450	2.6
180.04129	2.3
187.98860	2.0
195.02965	2.2
195.05055	3.2
195.06650	14.1
225.11111	2.3
255.05167	3.1
269.08173	7.8
275.09259	3.9
283.09839	10.5
297.06122	3.5
299.09332	8.5
308.84668	2.3
311.09445	17.0
314.11655	10.1
326.11533	11.3
329.13943	13.3
341.13992	12.2
489.19247	4.5
491.19275	2.7
507.19284	3.3
651.24353	3.3
699.26923	3.6
711.26569	3.8
759.28680	8.2
771.18762	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	803.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.44808	0.6
61.69787	0.6
63.02401	1.2
65.00324	9.7
65.00591	0.6
66.16251	0.7
83.01410	3.8
85.03001	0.9
89.90740	0.7
93.03469	6.4
93.82056	0.8
96.31226	0.8
107.01403	14.9
107.90269	0.7
109.02985	5.5
118.38947	0.8
119.05030	28.1
125.02436	5.2
133.02945	1.6
135.04567	1.1
137.02405	0.9
143.05011	1.0
145.02948	1.8
149.02382	0.8
151.00385	45.6
152.01022	0.9
153.02000	5.8
157.53920	0.7
161.02454	2.9
165.01947	3.2
167.04912	0.9
167.10835	0.8
171.04524	1.5
173.02432	1.1
179.03444	0.9
185.02473	0.9
187.03995	3.1
193.01445	1.4
195.03011	3.5
195.04752	0.9
197.02426	1.1
197.05945	0.8
211.04015	3.9
213.02020	1.3
213.05476	1.1
215.03412	1.2
226.06166	0.8
227.03535	5.7
229.04999	1.1
239.03586	6.0
241.01414	1.4
243.02991	3.3
255.02979	5.0
257.04578	6.4
268.00150	4.2
269.00928	12.0
269.04541	1.2
281.04547	1.0
282.01874	1.7
283.02515	61.9
283.13394	4.9
284.03232	2.5
295.02386	1.6
296.03079	2.7
297.03949	6.9
301.03339	1.0
301.14398	1.4
309.00745	1.7
309.04126	6.2
309.14999	1.4
323.05695	3.4
325.03522	11.4
349.03485	1.7
367.04581	5.3
389.06766	13.9
391.04691	1.5
403.08295	35.5
409.05621	1.6
429.06021	3.2
555.09381	100.0
556.09369	4.7
648.45685	0.8
687.23694	1.0
753.13892	0.8
759.15723	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	802.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98838	100.0
74.37299	0.3
78.95923	0.3
92.10844	1.1
115.57168	0.3
128.31935	0.3
191.67632	0.3
209.11844	1.5
210.12192	0.5
375.58939	0.3
385.98199	0.4
418.88199	0.4
519.88647	0.3
553.36542	0.3
635.59216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98421	0.9
57.34226	1.0
59.01384	1.2
65.00321	8.7
83.01389	4.2
86.73344	1.1
93.03469	6.3
93.30050	1.0
95.88789	1.0
96.96015	2.2
107.01395	13.9
109.02958	1.6
119.05021	24.8
121.02927	1.4
125.02440	5.8
133.02957	5.4
134.03670	1.7
135.04564	2.4
137.02292	1.1
145.02959	1.8
151.00380	45.2
152.00841	1.1
153.01947	1.4
161.02499	2.3
165.02034	1.2
167.03548	1.3
170.24323	1.1
178.02695	1.1
179.03481	1.8
183.04597	1.1
187.04027	1.8
188.45152	1.0
195.05083	1.8
198.02539	1.2
211.03993	2.0
213.05554	1.0
227.03551	2.7
229.05077	1.6
239.03555	5.8
251.67873	1.4
255.02956	2.5
256.03625	1.5
257.04480	8.5
268.00168	4.4
269.00879	1.5
269.04376	2.0
283.02490	61.0
284.03165	1.7
295.02646	1.7
296.03116	1.9
297.04077	5.9
301.03534	1.4
309.00632	2.1
309.04132	7.5
323.05508	4.0
325.03635	14.1
349.03568	1.8
365.06561	1.9
367.04556	5.1
391.04776	1.9
403.03104	1.4
403.08270	39.6
429.06573	1.6
435.03687	2.4
555.09381	100.0
556.09576	4.4
592.75031	1.3
650.84332	1.3
759.15601	2.6
787.42963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44170	0.7
59.08112	0.7
60.58546	0.7
61.98832	100.0
75.65092	0.9
77.34782	0.9
79.67876	0.7
128.83224	0.9
148.75620	1.0
152.99529	1.2
209.11847	1.4
219.24927	1.0
270.42242	1.0
514.27490	1.0
638.45508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.5
62.51638	0.3
67.52087	0.3
71.01384	2.3
73.02950	4.3
77.03977	2.1
79.01888	0.7
83.01411	0.9
93.03464	2.2
98.90431	0.4
101.02460	1.0
105.03456	1.0
113.02454	0.4
117.03462	12.6
119.04999	0.9
121.02949	10.9
125.02492	0.7
133.02946	0.5
134.92726	0.4
135.04527	5.3
149.02403	2.9
159.04555	3.4
161.02434	4.9
163.00365	0.5
163.04022	7.2
165.01949	0.8
169.06535	0.5
175.03979	0.6
179.03548	0.5
191.03474	1.6
197.06050	1.7
203.03540	1.0
215.07204	0.5
217.01395	0.6
224.04878	0.5
225.05612	0.5
237.05693	0.5
239.07156	2.8
268.03864	3.9
269.04593	4.3
281.04660	4.1
282.05222	3.0
283.06152	69.9
284.06329	0.5
293.04501	3.5
295.06134	2.2
309.04172	0.6
311.05658	100.0
312.06021	0.9
314.04282	0.5
323.05750	5.3
341.06735	11.1
426.72656	0.5
431.09888	81.3
432.10242	1.6
682.89856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78640	1.5
59.01395	8.7
61.89134	1.7
64.33971	1.6
69.21743	1.8
71.01380	4.1
74.99179	1.8
81.97829	1.9
89.37410	2.0
101.02450	4.0
119.03445	2.4
121.71074	2.0
125.02377	3.5
137.02460	1.8
140.37004	1.9
151.04050	2.6
153.09184	4.2
169.12343	10.9
171.10231	3.5
185.11842	3.3
197.11870	100.0
197.13708	3.3
197.98262	1.9
209.11835	27.3
253.09320	8.2
289.18130	8.2
307.19174	28.4
325.20316	7.6
340.29922	2.4
433.20969	2.7
469.50320	2.1
543.28546	3.5
723.39655	10.1
741.40619	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	800.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.9
61.98832	24.9
64.44779	1.5
69.03443	5.5
71.01390	6.2
71.84611	1.5
77.97540	1.5
78.44181	1.3
78.95919	2.9
79.95731	1.8
80.96514	18.8
81.77837	1.5
82.21457	1.5
89.02438	2.3
92.08439	1.4
94.98083	5.6
101.02470	6.9
108.49986	1.5
117.66219	1.6
125.09756	2.4
151.11336	2.3
161.04688	1.9
161.09712	1.8
164.98706	2.8
171.10280	2.6
179.10797	6.8
191.58351	1.3
197.11848	51.7
225.00809	3.6
240.49425	1.6
241.10925	2.1
253.09480	2.2
277.21738	93.6
278.22159	6.3
283.83893	1.6
361.86154	1.6
612.00385	1.8
710.38904	3.1
737.41364	100.0
738.42206	2.9
782.40582	2.2
800.42261	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	800.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66785	0.3
60.18883	0.3
61.98834	100.0
78.95906	0.4
92.10722	0.4
95.96279	0.3
107.98676	0.3
113.02465	0.4
162.75826	0.3
166.42682	0.4
207.10210	0.6
208.10487	0.4
209.11784	0.6
211.13385	0.6
293.21259	0.7
294.21603	0.4
560.05359	0.4
693.67346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
57.92491	0.6
58.42708	0.9
59.01388	6.9
61.98842	20.6
69.03484	2.1
71.01387	5.9
73.02956	1.0
78.95908	1.2
79.95749	1.4
80.96511	10.8
85.02974	1.4
89.02467	3.2
94.98085	2.8
97.06630	1.2
101.02438	4.4
113.02487	0.8
125.09705	2.0
150.47186	0.8
151.11325	2.0
152.98537	1.1
153.12872	1.4
161.09705	3.2
164.98677	1.1
178.87437	0.8
179.10797	5.6
197.11844	100.0
225.00795	1.8
225.11317	1.5
241.10851	1.7
253.09309	3.2
277.21729	31.0
278.21960	1.1
710.39355	2.0
737.41290	94.4
738.41833	2.9
782.41077	4.5
800.41400	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	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	6.6
61.98842	1.7
71.01413	1.9
76.99993	1.4
78.95922	5.6
83.05051	6.9
87.00874	1.6
89.02467	1.7
101.02473	5.4
113.09758	1.4
152.99655	2.5
161.04552	1.7
163.11301	1.7
171.10358	1.7
195.13936	9.4
209.11865	100.0
211.13478	2.3
223.13443	7.8
227.12953	10.0
253.09221	17.0
256.13242	1.8
275.20178	7.7
293.21259	99.8
294.21704	1.7
529.30420	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	799.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.3
61.98841	14.5
71.01393	5.5
78.95912	15.6
80.96519	9.4
94.59573	5.6
94.60187	5.3
137.08699	6.0
143.57683	6.1
155.20882	6.3
163.11298	7.9
171.10260	100.0
190.95358	6.4
206.09695	5.9
207.10240	11.7
208.38074	6.7
225.11415	50.9
253.09311	11.5
277.21768	65.2
461.20358	12.8
729.32227	7.5
799.40131	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	799.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	53.7
63.13284	7.0
64.32293	6.7
66.30927	8.6
69.19638	8.6
78.95913	36.0
111.26233	8.0
129.47299	8.8
134.36815	9.3
143.76987	8.2
152.99596	8.6
155.12880	10.4
168.68506	7.6
190.87964	8.3
194.04366	7.1
209.11833	100.0
253.09381	11.2
291.19418	8.5
293.21161	13.2
326.76276	10.4
465.45300	8.7
538.08453	10.0
799.43414	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	798.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.98840	100.0
66.91404	0.1
78.95917	0.3
80.96510	0.3
83.83386	0.1
83.97983	0.1
84.36053	0.2
92.66100	0.2
96.97065	0.2
133.52908	0.2
152.23059	0.2
152.99525	0.2
159.00053	0.2
223.13416	0.6
224.13727	0.6
254.37029	0.2
277.21521	0.2
293.21280	0.6
294.21628	0.3
295.22040	0.2
314.72864	0.2
408.64325	0.2
466.81140	0.2
740.10730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50026	1.4
71.01382	10.3
71.64565	1.2
73.02974	1.3
76.44046	1.4
78.95882	1.6
78.98613	11.6
79.95737	18.7
80.96516	96.5
85.02975	5.0
87.00882	5.4
94.05708	1.4
94.98077	26.2
97.02978	1.4
101.02439	3.2
122.97594	7.2
125.02451	3.2
131.54855	1.5
134.97618	7.3
148.99146	10.9
150.29709	1.5
152.98636	8.0
164.98657	24.9
206.99580	1.8
209.11876	2.1
225.00783	31.4
229.87263	1.6
255.59381	1.9
255.83055	1.5
382.28986	1.5
390.31567	1.5
465.53955	1.5
480.30884	1.6
514.96222	1.5
541.19574	2.1
797.43738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.7
71.01381	5.8
71.34075	0.7
73.02941	1.1
78.95883	1.4
81.03462	1.9
83.01360	1.3
83.05042	4.6
85.02946	2.0
87.00857	1.0
89.02452	4.2
96.35538	0.8
97.02950	6.5
99.00862	1.4
101.02408	5.8
103.45518	0.9
107.05059	1.0
109.02856	0.8
109.06588	39.5
110.03745	1.1
113.02444	1.9
121.06582	3.8
123.04520	4.5
129.40744	0.9
135.08131	5.0
137.06155	1.1
142.02724	1.9
145.10175	1.0
161.04575	1.3
163.10002	1.4
163.11293	25.6
171.10286	1.7
181.12326	4.7
189.09151	1.6
195.13908	7.1
197.11783	1.7
207.10283	100.0
209.11835	5.2
221.11824	8.0
223.13397	5.4
225.09171	1.7
225.11348	48.2
235.08221	4.4
239.12909	1.0
253.09309	13.9
265.10953	3.6
275.20294	6.8
277.21765	17.8
291.19608	2.0
293.21259	61.9
309.20837	1.3
443.19308	6.5
461.20300	13.0
534.29889	1.0
535.31445	0.9
594.51178	1.0
595.66919	0.9
650.33270	1.3
692.43054	1.0
719.40472	1.5
737.41254	35.6
738.41730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.5
64.47197	0.2
65.00307	0.2
77.03952	0.3
79.01905	0.2
81.03465	0.3
83.01385	0.4
90.94344	0.2
95.01421	0.2
97.02946	0.3
105.03480	0.5
107.01389	0.4
109.02956	2.8
110.66448	0.2
119.05035	1.2
121.02955	1.7
123.04507	0.2
125.02446	1.4
133.02946	13.4
135.04541	2.0
137.02475	1.0
145.02986	0.2
147.04561	1.9
149.02425	2.0
151.04008	1.0
161.02460	2.4
163.00385	2.0
163.04013	3.9
165.01947	2.5
173.02373	0.4
175.04012	4.1
177.01955	1.7
179.03525	0.4
185.06158	0.2
189.01918	0.2
189.05579	0.3
191.03549	2.8
193.01437	2.3
198.03047	0.3
199.03986	1.6
201.02011	1.5
203.03561	0.5
205.05397	0.2
211.03979	0.8
211.07681	0.3
212.04794	0.3
213.05612	1.7
215.03526	0.5
217.05070	0.3
225.05630	1.2
227.03517	0.4
227.07214	0.3
229.04973	0.8
237.05492	0.3
240.04219	0.9
241.05046	1.1
243.02911	0.4
253.05035	1.3
255.03128	0.3
255.06624	1.0
257.04480	0.5
269.04541	1.1
270.05206	0.3
271.06152	1.0
281.04483	0.5
283.06076	0.2
284.03268	11.7
285.04062	9.5
297.04062	20.0
297.17221	0.2
298.04825	11.2
299.05627	22.8
309.04041	1.0
311.05621	3.5
324.02945	0.4
325.03601	1.3
327.05139	100.0
328.05450	2.0
339.05145	4.1
341.06641	0.9
357.06207	23.4
369.06134	2.0
393.06155	1.1
447.09406	65.7
448.09613	1.2
468.87747	0.2
686.96521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	19.8
61.12932	3.5
62.89430	3.2
66.56500	4.2
71.01422	8.9
74.11919	4.4
75.79041	3.9
78.95901	4.6
81.03474	4.3
83.05038	7.3
84.02186	5.1
85.02984	6.4
86.00069	4.2
87.00916	6.4
89.02458	5.0
92.88382	3.7
93.35438	3.3
96.96054	3.7
97.02944	4.2
101.02413	5.5
109.06580	4.6
113.02465	15.6
117.07185	3.7
120.99705	3.4
125.02480	5.3
133.02972	18.1
135.04497	8.1
135.08168	15.0
137.02414	5.4
152.99600	3.8
153.09245	8.6
161.02487	22.6
161.04546	3.8
163.11374	5.1
171.10272	14.7
179.03516	4.7
181.12318	4.0
189.12862	16.4
209.11844	100.0
216.03215	3.7
222.14458	3.9
223.13477	6.6
233.11797	17.5
253.09294	20.9
289.18201	5.7
307.19299	40.6
325.20325	7.3
331.19098	5.0
335.22339	5.3
364.92267	4.3
543.28253	8.2
549.89539	5.6
621.24835	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	795.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46710	0.5
58.02909	0.5
59.01385	100.0
67.28172	0.5
71.01385	2.5
75.23160	0.6
78.95915	1.4
83.99251	0.6
84.95988	0.6
85.03042	0.6
89.02460	3.2
96.99346	0.8
97.02960	0.7
101.02474	2.2
125.02440	0.9
138.08978	0.6
141.01714	37.1
152.99574	0.9
169.05148	0.6
198.73038	0.6
255.23334	9.0
277.21704	2.8
324.11023	0.7
337.23639	3.2
397.13541	9.0
415.14618	0.8
419.11584	1.2
437.12827	2.9
446.32379	0.7
494.01459	0.7
584.16846	0.7
653.37683	2.4
675.35468	4.8
795.42566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40448	11.3
59.01390	15.2
61.98835	22.0
71.01380	13.2
75.06687	11.7
77.34195	11.8
82.25916	13.0
84.53223	11.8
94.13580	13.8
116.92863	24.6
117.30403	13.6
120.70264	12.6
163.18449	13.8
171.10332	17.4
223.13383	31.8
225.11476	18.0
245.43387	13.6
277.21744	100.0
351.78879	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	793.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15870	3.5
85.93876	4.0
92.10863	11.4
101.02456	4.3
111.46193	3.8
171.10252	39.6
225.11340	24.9
253.09319	6.0
277.21732	100.0
434.42963	4.1
530.19531	4.9
721.42358	8.9
732.26953	5.3
760.67792	4.7
824.33826	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	793.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.3
70.59145	1.5
71.01401	3.1
72.15583	1.5
78.95937	2.7
83.05015	1.9
85.03014	2.1
89.02483	3.4
99.74729	1.6
107.88775	1.4
110.44435	1.5
111.08176	8.8
113.02467	2.2
118.75710	1.5
119.03475	1.5
131.43228	1.7
154.85532	1.5
167.10809	3.5
167.95337	1.6
171.10245	1.9
177.12860	3.1
179.10812	3.8
195.13899	19.1
197.11888	2.6
200.03056	1.6
202.76347	2.1
205.12317	9.0
223.13416	73.3
247.20607	2.7
253.09325	9.7
277.21826	12.4
291.19684	100.0
323.04868	1.8
459.22540	8.8
527.28650	10.4
681.97302	1.9
733.41595	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	791.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90070	39.5
70.72176	45.6
78.95915	100.0
152.99637	74.6
448.90710	57.8
726.68439	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87652	4.3
59.01389	10.6
66.88919	4.1
70.41788	3.5
70.43181	3.5
71.01395	5.5
72.98927	3.7
86.01108	4.0
89.02448	5.6
95.93687	4.4
134.89534	5.2
141.65630	4.3
143.23590	4.3
165.12917	4.6
171.10297	100.0
181.08371	4.2
207.10249	7.2
217.71657	4.3
223.13371	37.6
225.11330	64.1
237.51613	4.3
253.09196	15.0
268.48740	4.1
277.21759	89.6
291.19678	22.1
403.54636	5.3
407.19794	5.1
461.20224	10.1
721.42029	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	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50793	6.9
55.90952	8.5
61.82188	7.3
62.25217	7.4
126.27715	9.2
209.11938	100.0
217.77473	10.5
224.45416	9.3
227.12930	17.1
240.54590	8.7
291.19794	9.9
309.20569	16.5
340.57568	8.5
773.40613	10.2
791.39941	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	791.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20048	3.1
59.01389	8.4
78.95927	6.1
87.00896	5.2
109.06605	6.4
130.60208	4.1
158.96648	5.0
207.10342	30.7
209.11887	64.0
225.11305	20.4
227.12985	5.3
238.71701	3.9
253.09373	9.3
291.19684	100.0
291.81650	4.0
293.21298	44.0
461.19910	5.0
571.32880	5.1
705.33136	5.6
737.41809	9.2
791.39764	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	791.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16288	2.4
59.01393	5.5
61.98841	4.4
71.01389	3.1
73.85303	2.4
78.44708	3.0
78.95923	3.8
86.02322	3.0
92.10204	4.0
136.87703	2.8
209.11853	100.0
217.33891	2.7
227.12907	16.5
253.09346	6.8
282.00961	3.0
291.19757	41.1
293.21283	5.9
300.81009	3.5
332.30710	3.0
427.06229	3.0
433.06943	3.0
705.32532	5.9
791.39465	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	791.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.8
99.74271	7.7
111.04536	9.2
114.02010	8.5
128.15985	10.1
171.10289	17.2
179.10799	13.3
182.63310	8.2
199.09721	17.5
205.08687	15.3
213.11394	8.4
218.20183	7.9
223.09712	55.4
236.08907	10.6
249.61917	9.0
277.21823	100.0
459.18732	18.0
633.13202	9.5
695.40326	32.7
719.40216	38.7
737.41339	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	17.3
61.98840	17.4
64.34555	10.7
66.93979	10.3
78.95909	15.5
81.05341	10.3
90.78117	10.5
92.10055	23.1
155.78044	10.8
174.96931	12.3
197.11893	19.7
209.11841	100.0
227.12958	42.7
245.46687	12.6
309.20807	45.2
523.86798	14.2
529.07532	12.8
534.72931	13.3
791.40570	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	789.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	54.8
78.95892	100.0
85.87047	12.5
86.72667	11.9
92.10102	33.1
117.59121	12.5
135.09241	13.6
152.99602	66.7
200.67300	15.3
207.10193	24.7
209.11336	15.5
674.94281	18.6
770.48676	15.6
789.42950	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.7
61.98846	23.9
71.01408	6.6
78.95938	5.8
89.04006	4.9
111.04538	5.3
112.95320	4.5
119.47061	4.5
139.66444	5.6
171.10298	24.9
199.09724	10.2
205.08832	6.8
223.09760	32.5
223.80481	6.1
246.40393	4.5
253.09464	5.3
277.21710	100.0
294.29904	5.5
656.72638	5.7
695.40015	22.5
719.40729	17.3
728.42920	7.5
737.40900	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	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	43.6
61.95431	8.9
67.64773	10.0
71.01399	16.2
78.95905	17.5
92.10722	11.2
96.32212	11.6
97.02970	12.9
163.11285	17.8
201.11415	14.9
207.10344	57.8
209.11876	100.0
225.11299	24.0
227.12988	13.7
245.14326	10.5
253.09186	14.1
272.87802	11.0
289.17786	11.8
289.96075	12.9
307.19205	22.3
309.20886	23.9
311.77933	10.1
434.94363	11.0
717.39130	17.5
728.76990	12.7
735.40356	70.6
753.40906	51.5
789.38971	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	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35044	4.2
59.01393	29.6
59.07507	3.5
61.98827	6.6
64.03679	3.9
71.01408	9.1
75.07676	4.0
78.95908	6.5
89.02491	5.0
93.15540	4.4
96.96052	4.9
97.02954	8.6
100.32821	4.7
101.02452	5.8
101.85772	4.1
109.06622	27.7
150.13641	4.7
163.11328	6.7
207.10330	68.4
209.11826	37.2
211.13397	7.8
225.11328	39.6
235.08250	5.7
253.09154	5.5
289.18289	9.3
291.19730	36.9
307.19177	23.2
309.20737	61.7
470.60971	5.4
481.29599	6.6
486.46088	5.1
487.13788	5.7
499.30725	10.9
555.67206	5.5
717.38538	35.3
735.39673	100.0
753.40698	62.0
789.38373	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	789.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	25.7
61.98848	23.2
75.75849	12.9
78.95918	30.6
84.44006	13.3
99.60790	14.7
109.06614	29.1
125.02489	16.7
138.43785	16.3
207.10283	100.0
225.11377	81.5
291.19757	95.2
293.21213	65.7
344.55615	16.8
461.20374	32.8
622.46826	17.3
735.39758	35.0
753.41510	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	789.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	31.7
73.84247	20.7
80.55116	23.2
84.10746	21.3
85.44125	23.2
87.18196	19.2
109.06618	28.1
120.32729	20.0
121.06647	22.2
127.83919	23.6
163.64511	23.0
173.63597	22.1
207.10283	86.6
209.11890	49.1
213.85709	22.5
225.11339	41.8
253.09412	25.1
289.18225	22.5
309.20718	51.3
713.72595	28.0
753.40088	100.0
753.91882	23.6
784.22693	24.8
789.38824	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82258	20.9
59.90284	14.1
59.99097	12.2
61.33125	15.1
61.98830	21.9
66.25669	13.3
78.95888	27.5
92.10145	66.0
125.02438	25.5
162.75797	19.1
197.11829	19.4
198.18155	16.0
211.65379	19.0
223.13451	71.5
309.20761	38.0
787.40485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82400	1.2
56.55051	0.9
58.00623	1.9
59.01389	9.0
71.01387	15.2
73.02984	1.2
73.41121	1.1
79.58166	1.0
81.03454	1.6
83.05061	2.7
84.02180	1.5
85.02980	2.5
87.00903	1.6
89.02476	5.3
96.96037	2.7
97.06611	4.9
99.00913	5.9
101.02456	5.4
107.05065	1.4
109.02930	1.3
109.06630	1.8
110.03716	1.1
112.34650	1.1
116.92870	1.6
121.06597	1.5
123.08226	1.5
125.06085	13.7
125.09737	2.5
127.11282	1.4
135.08214	1.5
137.09761	1.2
141.09279	1.9
153.09213	1.4
161.04510	1.5
162.57166	1.1
163.11267	7.8
165.09137	1.4
165.12820	2.4
169.08694	11.1
171.10268	19.3
172.82162	1.2
181.29224	1.1
185.11914	2.9
191.25136	1.1
193.12367	1.8
197.11877	5.0
201.11333	26.8
207.10310	6.4
209.11859	100.0
211.13469	1.4
225.11397	8.6
225.14970	1.9
227.13005	9.4
243.12274	1.5
248.35243	1.1
253.09294	13.8
287.16690	1.4
305.17615	11.3
307.19193	7.6
314.18512	1.2
325.39694	1.4
341.23422	14.3
541.26556	1.7
659.53790	1.4
689.33594	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	787.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21484	37.1
57.16904	33.8
61.98835	51.0
78.95934	100.0
81.99416	36.7
106.58508	40.7
109.03028	39.1
171.10284	47.3
207.39619	47.9
208.55428	42.7
223.13503	80.3
250.20912	50.7
293.21198	92.5
309.20865	64.6
348.61197	42.5
506.68234	44.5
787.40955	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
58.00599	0.4
59.01379	24.3
61.64601	0.4
69.03455	0.7
71.01377	10.7
73.02942	10.1
75.00893	0.5
79.91454	0.4
83.01390	3.2
85.02977	2.0
87.02618	0.4
89.02441	5.8
95.01424	1.7
97.02947	0.8
101.02444	7.3
101.06081	13.4
109.02939	1.9
113.02455	5.4
115.07670	3.8
117.03421	0.4
119.03496	2.5
121.02927	0.6
125.02431	0.8
132.02191	0.5
133.02957	20.4
133.03999	0.7
134.03741	2.4
135.04526	61.3
137.02415	3.4
139.04018	0.8
143.03491	1.0
143.07140	3.5
145.02943	0.5
148.05312	3.1
149.06087	13.3
153.02083	0.4
161.02444	100.0
162.02760	0.8
175.03940	0.8
177.05573	29.8
178.02757	0.7
179.03502	74.0
180.03995	0.5
203.03520	2.6
203.05637	0.8
221.04568	41.6
233.04524	0.7
251.05621	15.1
281.06680	56.5
323.07635	0.8
332.04819	0.4
341.08807	60.4
404.10809	0.5
437.10931	42.6
627.16656	0.5
644.71210	0.5
759.73016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
64.74818	2.1
66.15772	2.3
75.65858	1.9
78.27705	1.9
80.97295	2.3
93.91881	2.3
114.38202	2.6
115.02499	3.2
117.00426	3.4
136.94038	3.1
143.77718	2.4
157.03545	3.5
159.01494	51.5
160.01640	2.7
161.01180	3.7
161.10220	2.7
174.36322	2.3
178.95122	4.6
201.02571	54.8
202.02724	5.9
203.02353	4.6
217.00372	23.8
256.14697	2.4
267.25259	2.7
272.05334	2.6
301.02710	32.6
302.02780	10.4
303.02469	14.2
343.03845	11.1
345.03436	2.7
359.01495	3.2
502.95551	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	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.66379	0.1
69.96898	0.1
80.99471	0.2
92.10745	0.3
102.30481	0.2
118.03288	0.2
122.80808	0.2
141.87723	0.2
209.11839	0.7
210.12134	0.3
216.98445	0.2
218.02164	0.2
240.24335	0.2
270.86063	0.2
271.50342	0.2
277.21631	0.9
278.22079	1.0
295.10144	0.2
362.51266	0.2
785.23560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16831	1.1
59.01388	14.7
89.02453	1.4
101.02439	1.6
113.02377	1.5
153.12891	1.7
161.04579	1.1
166.80237	1.2
169.12363	8.0
180.84877	1.0
197.11855	100.0
209.11798	1.4
253.09406	5.4
277.21750	55.9
295.89935	1.0
433.20676	9.9
585.00043	1.3
778.56940	1.5
780.14441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98832	100.0
73.65990	0.2
78.95914	0.2
80.96516	0.3
106.65917	0.2
107.69923	0.2
200.19731	0.2
209.11893	1.6
210.12207	0.7
211.12383	0.3
238.84319	0.2
277.21661	0.3
278.22171	0.3
279.22372	0.2
322.83249	0.2
340.53860	0.2
392.59366	0.2
409.56454	0.2
428.79416	0.2
464.86157	0.2
786.41992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22561	17.0
61.98829	25.4
76.56736	19.9
78.95911	100.0
82.44740	16.6
89.21117	18.9
92.10820	46.8
112.99874	18.2
129.75056	24.2
152.99628	44.3
153.21687	20.0
200.33699	19.4
351.49335	20.6
485.18741	24.1
785.47504	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.7
57.03462	1.2
58.00600	0.5
59.01386	10.3
64.34314	0.5
69.03472	6.7
71.01394	7.8
71.05036	2.6
72.99284	0.4
73.02962	2.0
73.20564	0.4
78.95983	0.5
81.03472	0.8
83.01410	0.7
83.05077	1.1
85.02972	2.7
87.00887	1.0
89.02442	3.5
96.96031	2.3
97.02942	0.7
97.06593	1.8
99.00883	0.7
99.17606	0.5
101.02455	6.7
109.02940	0.9
111.08112	0.7
113.02463	2.6
123.08185	2.6
125.02463	0.6
125.09724	5.6
127.07668	4.6
130.49345	0.5
133.02975	0.6
135.04543	0.7
137.02411	0.9
137.09740	0.9
139.03767	0.5
139.07680	0.9
149.09706	0.9
151.11322	4.6
153.01950	3.1
153.09204	4.1
153.12854	1.2
155.10767	0.5
161.04539	0.9
161.09772	6.2
163.11319	2.2
165.12885	0.9
171.10271	4.7
179.10776	10.2
185.11852	8.5
195.03064	0.7
197.11855	100.0
207.10378	0.7
209.11882	28.1
211.13326	0.5
220.03400	0.5
223.09727	0.9
225.11426	0.8
235.08432	0.7
238.12148	1.0
241.10864	5.5
245.19217	2.1
253.09319	3.5
289.18262	3.6
307.19150	12.0
325.20386	2.0
462.59735	0.5
477.19608	1.1
537.50787	0.5
603.67145	0.6
767.38745	5.1
785.39777	97.6
786.40082	3.0
796.19739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
59.01389	96.8
71.01400	40.0
73.02954	38.7
82.46806	3.3
83.01392	8.8
85.02951	8.3
87.00862	4.7
89.02473	6.5
89.44627	4.3
94.45841	4.1
101.02459	38.8
109.02965	6.7
113.02466	19.9
119.20296	4.3
121.03038	6.8
131.35968	4.9
135.04530	9.6
137.02440	5.6
151.03999	17.1
161.02437	4.7
161.04680	4.4
180.07924	19.5
211.04030	5.6
223.09727	22.5
237.05652	5.0
240.04207	4.6
251.03418	14.9
265.05109	6.7
281.43619	4.1
301.92178	4.3
327.47800	4.1
443.15082	7.5
454.13281	4.6
459.14310	20.6
471.14642	8.6
474.16718	17.4
489.19144	32.1
501.18964	6.3
519.20294	39.4
528.40619	4.6
606.20752	6.3
624.22430	5.6
633.23364	9.5
636.22369	5.2
639.24585	9.5
645.23505	9.2
651.24402	18.3
663.24567	30.2
681.25592	72.6
693.25568	100.0
705.25537	18.6
711.27405	13.3
723.26819	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98840	100.0
64.78476	0.2
71.01392	0.2
80.96532	0.3
102.60684	0.2
163.51118	0.2
207.10294	0.2
218.89136	0.2
220.46265	0.2
225.71065	0.2
227.12929	0.2
277.21808	0.8
278.22241	0.7
302.65106	0.2
340.39661	0.2
364.17062	0.2
784.42303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82185	0.5
58.05948	0.6
59.01377	1.0
61.44727	0.5
61.98829	6.9
78.95946	0.6
96.34550	0.6
108.90228	0.6
121.02952	100.0
121.50727	0.6
122.03302	0.8
126.87423	0.6
165.01952	0.7
169.12241	0.7
181.06569	2.5
197.11900	5.0
209.04568	37.5
209.11818	0.6
217.63678	0.6
224.34714	0.6
225.05649	2.8
291.19516	0.8
309.20795	1.0
313.07242	4.4
357.06232	1.2
401.08594	7.2
772.98700	0.7
779.81653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.01297	0.2
62.38087	0.2
78.95901	0.3
92.10107	0.4
99.13313	0.2
116.92809	0.4
171.73564	0.2
184.80858	0.3
207.10300	0.3
209.11816	0.4
269.18204	0.3
277.21701	1.0
278.22015	0.6
279.22604	0.3
314.11044	0.2
444.61612	0.2
724.42578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
58.06357	0.3
59.01382	5.5
71.01369	3.8
73.02950	1.6
76.57204	0.3
78.95904	1.4
78.98589	0.7
79.95760	0.8
80.02674	0.7
80.96519	9.8
80.96954	0.5
81.03487	0.7
82.96127	0.4
83.01394	0.7
83.05031	2.8
84.02191	0.6
85.02967	1.4
87.00914	0.6
89.01957	0.3
89.02417	2.5
94.98089	2.3
95.01407	0.4
95.05031	0.5
97.02931	0.4
101.02453	3.6
101.20886	0.4
103.09842	0.4
107.94059	0.3
113.02476	0.7
119.03551	0.4
120.73297	0.3
125.02470	0.5
134.97627	0.5
148.99089	0.5
152.99661	0.9
161.04539	1.6
163.11304	3.8
164.98607	2.5
165.12839	1.6
191.10805	0.8
209.11865	68.3
210.12207	0.4
225.00800	3.5
227.12939	8.1
235.08286	3.9
253.09297	7.2
277.21765	100.0
278.21973	1.6
286.79495	0.4
321.39264	0.4
322.52686	0.4
326.45511	0.4
377.22214	0.4
414.50510	0.4
513.30743	0.7
783.41913	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	783.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16423	5.3
59.01389	5.9
59.45569	5.2
60.84526	4.6
61.98834	10.5
65.60047	5.8
65.91889	5.4
69.03368	5.6
78.95908	14.2
79.95753	11.7
80.96534	46.8
82.96133	9.9
83.20438	5.7
85.89786	5.9
94.98116	11.8
95.61961	5.6
100.82838	5.2
122.40036	5.6
189.12814	7.5
209.11829	27.9
225.00612	8.7
227.12936	9.5
233.11723	12.7
277.21765	100.0
291.73883	6.4
706.99438	6.4
740.88147	6.5
783.41180	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	782.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64744	0.8
61.98835	100.0
77.26014	0.7
82.73781	0.9
152.43002	0.7
223.13524	0.9
277.21790	1.4
357.01920	0.9
642.87354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.5
59.77571	0.4
62.04125	0.4
70.34058	0.4
71.01377	6.1
72.99302	0.4
73.02938	0.9
76.96681	0.4
78.95905	1.9
79.92547	0.4
79.95743	2.7
80.02676	0.7
80.96515	11.8
81.03461	3.1
82.96132	0.6
83.01382	0.7
83.05019	2.5
85.02958	2.3
87.00883	0.6
89.02438	4.2
93.03503	0.5
94.98093	2.8
97.02950	6.5
99.00893	1.9
101.02425	5.1
106.04249	0.6
106.98048	0.4
109.06591	36.0
110.03742	2.3
113.02452	2.5
119.03519	0.5
121.06581	2.4
122.97608	0.8
123.99757	0.5
125.02467	0.7
125.09755	0.7
126.36176	0.4
127.35500	0.4
134.97568	0.6
135.08168	4.7
136.05313	1.0
142.02692	3.6
148.99168	0.6
152.98589	0.8
161.04568	1.9
161.09697	1.8
163.11290	21.1
164.98631	3.0
179.05608	0.7
179.10788	0.8
181.12357	4.5
183.50427	0.4
189.09271	3.9
207.10287	100.0
209.11867	1.9
223.06709	0.5
225.00771	3.5
225.11343	37.3
235.08261	2.1
243.12437	0.5
253.09300	10.1
255.23376	0.8
277.21741	72.4
278.22266	0.5
281.13928	0.8
299.15097	2.2
346.49854	0.5
423.32501	0.6
441.33701	0.8
443.19415	5.1
461.20325	11.2
547.71545	0.4
593.73926	0.5
703.40814	1.6
721.41779	38.7
722.41858	0.6
763.39581	2.0
781.40210	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	781.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82705	0.4
55.01891	0.6
55.91705	0.6
59.01385	16.8
59.01656	0.9
71.01376	5.2
73.02940	1.2
78.95924	2.4
78.98605	0.8
79.28974	0.5
79.95758	3.7
80.02675	0.7
80.96523	11.4
81.03478	0.8
82.92735	0.5
83.05043	1.2
85.02966	2.6
87.00912	1.9
89.02453	3.1
94.98093	2.2
95.01425	0.6
97.02442	0.7
97.02952	5.0
99.00875	0.6
101.02463	4.6
107.05100	0.6
109.06596	15.1
113.02458	1.2
119.03468	0.7
121.06594	0.7
134.97499	0.6
135.08141	2.8
136.05293	0.8
142.02737	1.4
145.05054	0.8
161.04561	0.9
161.09766	0.6
163.11298	11.4
164.98689	1.4
172.75008	0.6
181.12329	2.3
189.09309	1.3
207.10304	51.5
209.11890	1.2
225.00716	2.3
225.11327	15.5
228.30193	0.6
235.08304	4.2
253.09305	7.2
255.23387	0.8
259.00864	0.6
262.14749	0.6
277.21762	100.0
278.22186	1.1
443.19128	2.3
461.20349	4.2
703.40393	1.0
721.41876	31.1
721.54669	1.0
722.41809	0.9
763.39258	3.7
781.40753	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	777.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38191	1.5
78.86964	1.4
78.95898	20.2
83.66988	1.6
129.09346	1.7
152.81706	1.6
152.99611	22.1
154.72728	1.6
171.00693	6.1
171.10294	1.8
179.97791	1.3
197.11865	2.0
211.13432	6.6
255.23320	100.0
256.23807	2.9
293.21259	7.7
311.22290	15.0
555.96802	1.5
643.61194	1.7
777.49323	61.5
806.62720	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	779.39
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46705	0.9
71.01373	9.7
73.46016	1.0
78.95907	2.4
78.98587	9.0
79.95728	16.7
80.96514	96.6
85.02963	4.1
87.00883	2.4
92.10078	4.3
94.98072	24.9
97.02972	1.5
101.02457	2.5
106.98074	5.2
122.97576	4.2
125.02406	4.1
134.97632	8.0
136.99092	1.5
148.99117	11.0
152.98622	10.8
164.98634	27.6
179.10817	1.1
197.11853	11.9
206.99672	4.8
207.10291	1.6
225.00751	34.6
225.11218	1.2
255.23317	11.0
270.64929	1.1
523.15436	5.0
750.90527	1.1
771.84808	1.2
779.39026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01390	9.5
62.93016	0.8
65.86657	0.8
69.03469	2.1
71.01379	5.1
71.05035	1.1
77.56814	0.8
78.08830	0.8
85.02974	1.0
86.80952	0.9
89.02444	1.7
101.02423	4.6
113.02496	1.8
117.70903	0.9
118.71354	1.0
125.09759	1.4
151.11217	1.5
153.12881	1.7
161.09702	4.5
179.10771	6.0
197.11848	100.0
203.17967	1.1
205.82271	0.9
218.44727	0.9
241.10823	3.7
253.09290	1.1
257.22726	1.5
319.22955	1.0
477.19617	1.8
508.70740	1.2
528.81042	0.9
601.49945	1.1
648.58008	1.1
715.76300	1.0
779.42334	84.5
780.42358	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	779.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48328	0.7
59.01384	20.4
61.98842	0.9
70.89930	1.0
71.01378	1.4
77.99403	0.8
78.95929	1.0
80.96535	0.9
85.02969	1.0
88.51968	0.9
89.02450	1.8
101.02455	1.6
110.19940	0.8
163.91586	1.0
167.10753	1.5
178.87924	1.0
179.10837	1.4
179.14412	4.5
195.13898	9.1
205.12454	8.9
223.13425	76.0
235.08250	2.1
253.09366	6.2
267.86682	0.9
277.21768	100.0
386.30188	0.9
441.21445	1.7
459.22733	8.2
719.43542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	43.7
96.96074	4.4
96.96959	100.0
163.04123	0.2
234.42056	0.2
300.68668	0.2
439.08633	19.2
542.97040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
61.98856	1.3
62.43322	1.1
62.72261	1.1
71.01384	5.3
78.95901	39.8
78.98615	2.9
79.95739	6.2
80.96516	47.5
83.05000	4.7
87.00862	1.7
90.17274	1.4
92.10047	2.6
94.98091	9.3
96.96953	10.0
101.02419	2.3
113.60371	1.3
122.97559	1.9
125.02411	1.4
128.80099	1.3
148.99127	2.3
152.98593	4.8
152.99660	9.6
163.11276	2.3
164.98590	8.5
165.12886	1.4
191.10648	1.4
207.10213	1.3
209.11862	40.5
225.00806	14.7
227.12982	1.5
241.01231	18.0
253.52652	1.4
255.23299	25.2
259.01981	1.8
277.21802	1.5
277.67706	1.3
445.49841	1.6
463.35339	1.6
763.39191	3.3
780.50964	1.7
781.41058	100.0
782.40393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20506	12.3
59.01389	23.3
93.72527	14.4
95.26658	14.7
99.92933	14.6
104.02685	14.1
125.02434	19.6
133.02895	20.6
135.04509	23.4
155.22191	13.7
158.29819	14.2
161.02454	19.9
165.17348	14.0
197.11792	100.0
209.11920	24.1
227.44980	18.4
307.19153	26.9
434.31943	14.6
604.69141	16.2
723.39807	27.4
735.50122	15.4
741.42010	20.6
777.38898	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
67.74763	0.2
84.04564	0.5
86.02504	0.2
89.60243	0.2
90.31348	0.3
94.06599	0.4
95.03754	2.0
96.08182	0.9
102.19193	0.2
104.05083	1.3
106.06624	4.1
120.04527	0.3
120.99602	0.5
121.03036	0.3
122.06116	2.2
123.03240	0.4
123.06866	0.3
124.07664	7.9
132.04550	34.5
133.05331	19.4
134.06122	5.6
138.05617	0.3
148.04076	1.5
150.05577	1.4
165.04311	26.6
176.03548	1.1
176.07172	0.4
177.04312	3.3
178.05070	1.7
184.07658	0.4
185.08435	0.5
186.09230	4.0
187.08786	0.4
198.09222	0.9
209.03313	7.0
212.10866	0.3
213.06673	3.1
214.12373	6.5
215.11897	7.8
226.07516	0.9
227.08192	0.4
229.09871	3.7
239.11908	0.3
240.10220	1.4
241.09830	2.9
247.59677	0.2
255.11336	0.9
257.12979	25.2
258.13474	0.4
276.48859	0.3
282.39313	0.2
283.06100	1.3
283.10876	9.1
301.11975	12.9
311.05557	1.8
327.09891	0.9
345.10959	100.0
346.11307	1.2
431.09830	1.1
470.87674	0.2
476.57034	0.3
486.57263	0.3
498.01370	0.2
552.64008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86024	5.5
61.98834	9.4
67.04112	5.8
68.03898	5.8
70.03622	9.7
92.10822	20.6
107.56113	6.5
122.17974	8.2
126.83407	7.8
171.10292	53.9
207.10471	8.6
225.11293	55.2
277.21756	100.0
297.26746	8.1
461.20294	8.4
514.70276	7.8
542.15991	7.6
721.41644	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95897	49.9
152.99565	55.7
156.08946	5.2
171.00685	7.5
191.83792	4.9
196.32416	4.8
211.13354	5.8
253.21675	6.5
255.23352	81.3
264.79596	4.3
291.62350	4.8
293.21274	9.0
294.34525	5.0
309.20602	6.1
311.22360	9.1
539.26422	36.5
594.82867	5.4
625.54999	5.6
633.61664	4.6
766.07397	6.1
775.48071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.0
61.98832	4.9
63.73601	2.2
64.34319	3.3
69.03456	4.7
71.01385	5.8
72.13419	2.1
78.05377	2.1
91.49179	2.2
101.02463	4.7
121.58874	2.5
125.09735	2.8
135.36372	2.5
138.93820	2.2
147.50600	2.3
171.10419	3.6
175.40475	2.7
179.10770	9.7
180.80988	2.4
197.11850	45.1
198.12181	4.5
207.10289	12.6
225.11362	18.9
253.09406	3.6
277.21750	100.0
278.22037	10.7
279.22391	2.3
292.25641	2.4
296.86331	2.5
461.20032	4.2
531.50220	2.9
695.40363	5.7
721.41754	13.7
737.41315	50.8
739.41815	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	775.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	10.2
61.42178	6.2
61.98857	8.7
62.02421	6.7
62.72971	7.1
64.34322	6.6
72.65000	7.3
169.12347	18.7
209.11845	100.0
214.03087	8.4
227.12825	14.3
253.09091	10.8
293.21487	56.9
334.75168	7.9
343.40164	8.7
368.67010	8.2
483.82254	7.9
568.23724	8.1
739.39856	11.1
775.40326	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.9
67.54838	7.5
67.88648	8.2
72.60652	8.9
78.95882	11.2
83.70206	10.5
109.06618	11.7
167.18282	8.8
182.19684	12.5
197.11905	21.6
199.09804	46.6
207.10239	57.8
217.87169	9.5
225.11220	35.8
253.09309	13.4
277.21747	95.0
291.87619	10.0
345.41830	9.7
435.19611	15.1
695.40210	100.0
721.41943	58.6
737.40881	13.1
739.42700	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	775.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	10.2
61.42178	6.2
61.98857	8.7
62.02421	6.7
62.72971	7.1
64.34322	6.6
72.65000	7.3
169.12347	18.7
209.11845	100.0
214.03087	8.4
227.12825	14.3
253.09091	10.8
293.21487	56.9
334.75168	7.9
343.40164	8.7
368.67010	8.2
483.82254	7.9
568.23724	8.1
739.39856	11.1
775.40326	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91504	14.4
61.98832	24.2
78.95901	25.9
79.82390	12.8
81.58018	15.1
92.10113	30.0
109.99022	15.0
197.07777	13.8
209.11913	34.5
211.12184	15.6
291.19638	100.0
339.05435	18.6
711.16461	18.4
773.38910	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	773.461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03487	3.3
69.36196	4.2
69.66856	3.4
71.94567	3.5
73.20154	3.3
78.95908	65.6
92.10787	14.1
100.41490	3.3
125.09724	3.8
128.41486	3.7
152.99597	86.6
163.11302	5.6
165.12874	6.1
171.00571	5.9
181.12338	5.3
209.11848	25.7
227.03220	6.8
243.59964	3.9
245.04124	4.5
247.20755	4.9
253.21692	28.3
255.23317	100.0
291.19678	42.3
309.20676	13.0
393.61694	4.7
467.77170	4.3
519.23999	5.4
537.24847	63.0
601.10669	4.4
689.75867	4.2
773.46429	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	9.8
61.98841	13.2
70.24493	5.9
78.95933	11.1
80.38573	7.1
83.84940	5.9
92.10017	14.3
93.81767	6.0
100.88955	5.9
129.70808	5.6
207.10301	52.3
213.36877	6.2
219.29266	6.8
236.41074	7.0
253.09277	10.3
293.21252	100.0
407.61847	6.6
530.40381	6.7
737.41693	44.1
773.38751	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	773.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68974	8.4
63.89060	9.3
71.83006	7.8
78.95908	51.6
88.24848	8.7
96.95998	23.7
186.30128	8.8
198.24455	9.6
209.11884	100.0
265.59152	11.3
291.19781	53.0
311.72089	10.7
489.03870	12.2
508.09491	10.7
732.02655	11.8
773.39478	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	773.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
59.01384	6.0
61.98848	1.1
62.30301	0.7
65.17118	0.7
68.08312	0.8
69.03482	1.9
71.01400	3.9
71.05042	3.6
74.39892	0.8
78.95905	1.2
85.03002	1.3
89.02468	1.7
93.00786	0.9
93.08475	0.8
101.02460	2.1
113.02422	1.1
116.92867	5.1
123.08197	0.8
125.09791	1.8
149.09785	0.8
151.11298	2.1
153.12920	1.9
161.09778	1.5
175.63232	0.9
179.10765	6.2
197.11850	100.0
241.10884	4.9
253.09348	1.6
277.21753	31.7
278.22089	1.0
428.98505	1.0
452.75644	0.9
477.19983	1.1
737.41241	83.9
738.41614	1.3
748.59625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	34.0
70.54137	3.9
71.01378	47.6
73.02926	5.1
78.95914	9.0
83.05045	4.8
85.02955	5.9
88.14639	4.4
89.02415	7.4
90.90155	4.5
95.04930	4.0
97.02966	4.6
109.06564	6.6
133.30128	4.3
137.09816	5.6
163.11301	27.9
165.12781	5.9
169.36081	4.7
171.10254	52.6
179.10660	4.7
183.10167	4.9
185.11832	7.0
197.11868	35.1
201.11382	17.7
207.10301	37.0
209.11848	100.0
225.11397	33.4
227.12912	6.8
245.19044	6.2
253.09276	24.0
289.18127	6.1
291.19656	24.4
307.19031	6.1
309.20721	34.8
771.41486	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	773.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.0
59.14658	1.4
61.98833	1.8
69.03468	6.9
69.09975	1.8
71.01391	3.7
73.02944	1.8
85.02966	1.6
89.02456	3.3
101.02456	2.6
125.09733	1.6
147.57399	1.6
151.11328	2.7
159.66447	1.5
161.09709	7.6
179.10823	14.0
197.11850	70.1
253.09357	2.3
277.21735	97.7
359.64917	2.2
737.41321	100.0
738.42108	2.7
784.75696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.4
60.91612	1.2
63.26063	1.1
69.03474	1.3
69.58945	1.4
71.01402	3.1
78.95904	2.1
80.42052	1.1
89.02431	1.6
101.02412	1.8
102.64201	1.3
113.02457	1.4
114.93411	13.0
116.92891	10.3
118.00716	1.3
169.12344	8.1
174.85069	1.3
195.13985	9.6
197.11859	100.0
223.13483	1.9
235.08214	2.1
241.37730	1.4
253.09351	12.6
275.20203	7.0
282.81854	1.6
293.21280	62.2
433.20874	9.5
464.94507	1.3
626.67816	1.6
650.32928	1.6
688.04181	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	771.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90263	0.3
56.25220	0.3
59.01403	0.6
61.98835	0.6
63.43459	0.4
63.97071	0.3
64.31531	0.3
73.02969	0.6
78.95929	0.7
85.30621	0.4
99.92588	8.0
116.92867	100.0
116.97235	5.3
117.01962	1.7
117.92833	0.4
158.25273	0.3
161.06065	0.8
197.11855	0.8
198.12151	0.6
268.57050	0.3
277.21735	1.4
293.21298	0.5
295.91858	0.4
299.51816	0.4
313.18988	0.4
337.93887	0.4
410.34894	0.4
483.70865	0.4
650.48383	0.4
675.36890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82024	0.5
59.01381	4.9
60.09982	0.5
61.10687	0.5
63.36303	0.5
71.01379	4.8
71.05040	0.7
73.02969	0.7
80.02680	1.0
81.03463	1.3
83.01358	0.8
83.05025	5.0
84.02186	1.0
84.88481	0.5
85.02947	1.3
87.00889	0.6
89.02457	2.8
95.05021	0.8
97.06599	0.8
101.02455	3.3
109.06609	1.0
113.02459	2.1
123.08163	0.6
125.09706	2.9
127.07677	1.2
135.08163	2.7
137.09662	0.6
147.63351	0.5
149.80371	0.5
153.09219	5.1
155.10748	1.0
161.04601	0.6
163.11307	5.8
165.12856	2.7
171.10297	8.5
178.09961	0.9
181.12398	0.9
185.11905	3.7
191.10768	2.4
197.11859	2.9
207.10309	1.3
209.11858	100.0
210.12201	1.2
224.21034	0.5
227.12927	7.5
235.08362	0.6
237.11394	0.6
245.19131	1.1
253.09323	6.6
289.18115	7.2
307.19183	27.4
325.20270	7.8
327.22528	0.5
330.58481	0.5
464.06241	0.6
525.27228	1.1
543.28369	5.2
735.39984	1.0
744.34009	0.7
753.40472	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52791	0.8
57.64828	0.8
59.01381	6.7
69.03454	4.6
71.01392	4.4
71.05044	1.0
71.43918	0.8
78.95923	1.1
80.80693	1.0
83.05073	1.0
89.02433	1.3
92.10794	3.0
101.02454	4.2
111.08164	4.9
113.02379	0.9
114.63091	0.9
117.13325	0.9
125.09703	1.0
151.11313	1.1
153.12851	1.9
161.09662	2.3
164.55511	0.9
169.12311	1.5
179.10751	5.9
197.11850	100.0
198.89624	1.0
199.13335	1.4
211.13400	1.4
241.10832	2.3
242.72662	0.9
253.09361	1.4
265.17661	0.9
286.63870	1.0
291.19839	1.4
309.20670	4.6
424.25784	1.0
477.19855	1.8
548.21484	1.1
655.91486	1.1
769.40240	66.0
770.40649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	7.2
59.55529	1.1
69.03475	4.8
71.01402	4.6
71.05056	1.9
89.02439	1.4
101.02471	4.6
111.08159	2.4
125.09712	2.8
140.05887	1.2
151.11372	1.5
161.09756	1.3
169.12341	1.6
179.10815	4.8
197.11859	100.0
199.13507	1.4
207.10136	1.4
209.12012	1.3
211.25569	1.2
241.10825	5.1
253.09303	2.1
302.80573	1.3
309.20798	2.6
337.99603	1.4
477.20087	1.8
744.05383	1.6
769.40216	57.0
770.41235	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	769.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.5
62.79615	5.0
63.17193	4.7
67.46320	5.8
69.03449	5.9
71.01378	10.9
71.04626	4.8
71.86208	5.6
78.95895	6.3
82.25452	6.7
83.05044	9.1
85.02950	5.2
88.76471	5.5
97.02955	8.3
100.58167	5.9
101.02467	8.3
105.03992	4.8
109.06610	38.0
113.02439	6.6
115.55296	6.0
125.09711	10.0
153.09183	6.7
163.11311	33.4
169.12354	7.6
171.10262	26.2
179.10693	6.9
185.11850	12.1
197.11861	39.6
207.10287	69.0
209.11826	100.0
215.28102	5.8
223.09782	10.1
225.11311	43.8
253.09271	10.1
287.16843	7.0
305.17493	10.9
307.19165	25.2
325.20154	9.1
363.37857	6.3
461.20282	6.9
497.29712	6.7
512.32361	6.8
571.33490	6.1
751.39709	9.6
769.39758	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86066	2.8
54.91585	2.7
56.36032	2.4
56.76885	2.8
57.03460	3.4
57.59795	3.6
59.01385	15.3
64.60326	3.1
71.01395	6.5
81.97745	2.8
92.10729	3.7
123.04559	3.7
125.09706	4.1
125.28432	3.9
161.02538	3.7
163.11342	3.2
164.83781	3.0
176.58485	2.9
179.10829	4.4
185.11864	4.0
191.14476	4.7
197.10204	4.7
197.11853	89.7
216.55438	3.0
241.10756	4.9
245.19092	11.9
253.09273	3.5
289.18219	28.0
307.19275	7.1
424.00723	3.6
649.03522	3.1
738.75165	4.4
767.38605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36468	16.8
60.11324	19.0
73.20999	18.6
75.87638	17.5
77.73285	17.1
77.84558	17.5
195.10248	42.0
223.13409	82.1
277.21686	100.0
361.36667	21.8
425.58844	23.0
545.79956	20.6
737.41833	27.6
769.39532	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.1
57.03461	2.2
59.01390	49.6
63.09626	1.8
71.01381	24.1
72.99306	2.6
73.02960	4.3
83.01395	2.3
85.02962	8.0
87.00909	3.8
88.04036	2.1
89.02447	24.3
92.10833	5.3
96.96030	4.6
101.02432	18.8
104.22120	2.2
111.08167	20.0
113.02473	11.8
119.03558	4.4
125.02481	5.7
143.03490	2.8
161.04550	2.6
169.12402	5.3
179.05685	3.9
188.54716	2.2
197.11864	90.6
199.13416	2.9
209.11877	11.0
210.12175	3.7
211.13431	10.0
235.08322	7.8
263.20285	3.6
291.19742	22.1
309.20776	100.0
397.13623	27.1
415.14706	39.1
707.34741	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	767.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46351	0.3
53.71329	0.3
55.31135	0.3
59.01394	0.8
71.01379	13.1
84.09467	0.4
85.02946	2.6
87.00882	6.4
92.21254	0.4
93.03476	0.8
101.02448	0.5
101.99821	0.3
109.02966	1.2
113.02455	3.8
115.00385	5.5
119.05027	59.8
120.05335	0.5
125.02457	1.4
133.01462	0.5
133.02950	6.8
135.04547	4.9
137.02417	0.6
142.21230	0.4
148.98270	0.4
153.01939	0.7
161.02455	33.3
163.04021	100.0
164.04347	0.7
165.42744	0.4
175.03996	0.6
176.27844	0.4
179.03549	4.2
194.25864	0.4
195.03038	0.7
203.03679	1.4
211.07649	0.4
227.07133	0.7
255.05179	0.8
275.14651	0.4
279.05161	4.4
322.26349	0.4
323.07794	3.8
341.08884	1.5
411.09354	5.7
437.10779	0.8
455.12024	8.8
527.46680	0.4
580.99835	0.4
591.44226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82647	1.2
56.32980	0.9
56.89870	0.9
59.01385	1.1
60.99319	18.1
88.98815	100.0
89.02460	5.7
93.55406	1.1
204.26083	1.1
337.58606	1.0
619.61383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
59.86883	0.5
62.90282	0.5
63.96261	1.0
69.03463	0.7
71.01381	11.9
72.99307	0.6
73.02948	2.8
76.00179	0.5
78.95920	2.5
78.98591	8.0
79.95738	16.2
80.96515	100.0
81.03466	1.1
87.00877	3.8
90.16522	0.5
92.10201	0.5
93.34905	0.6
94.98083	23.8
96.96011	0.8
97.02968	1.3
101.02447	3.4
106.98104	5.2
109.35184	0.6
109.38008	0.6
122.97557	5.6
125.02432	5.5
127.04032	0.8
134.97606	6.4
136.99133	2.1
148.99171	8.1
152.98608	9.9
152.99573	1.1
164.98624	17.1
184.26529	0.7
206.80312	0.5
206.99701	3.6
209.11858	3.1
209.73221	0.6
216.30887	0.7
224.98599	1.1
225.00772	30.3
255.23364	1.1
280.64706	0.6
283.04892	0.8
348.14182	0.6
495.14243	0.6
509.17233	4.2
537.27679	2.1
765.41083	82.9
766.40833	2.7
772.03259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45703	1.2
60.99314	21.2
88.98813	100.0
89.02451	3.6
94.08275	1.4
100.39677	1.3
105.32629	1.4
144.94411	1.7
207.09979	1.6
209.11859	6.5
223.13458	3.1
275.35995	1.8
388.17551	1.4
508.78510	1.7
554.85443	1.6
585.72510	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	765.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87123	0.2
59.01394	1.6
66.98389	0.2
68.86266	0.2
71.01411	0.9
73.11377	0.2
75.00896	0.3
75.41650	0.2
75.94662	0.2
85.02960	10.0
86.47902	0.2
87.00854	0.3
89.02412	0.3
92.64786	0.2
93.03460	0.5
102.28404	0.2
111.00885	0.5
113.02486	0.4
117.03458	0.4
119.05025	64.4
120.05331	0.3
121.02950	0.3
121.49348	0.2
129.01961	2.3
133.02950	5.3
134.03760	1.0
135.04536	7.4
145.02946	1.0
147.03026	0.4
149.00929	1.2
149.06090	0.5
161.02454	22.1
162.02724	0.3
163.04018	100.0
164.04384	0.3
175.04010	0.3
177.02002	0.3
177.05524	0.5
179.03500	5.8
195.05206	0.9
203.03546	2.3
221.04623	1.1
231.43182	0.3
234.94023	0.3
266.02197	0.2
281.06689	1.0
293.06686	3.5
341.08728	5.0
439.12607	5.5
514.63812	0.3
534.78589	0.3
569.05005	0.3
596.15967	0.3
772.18665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.0
59.01379	15.5
64.34158	0.8
69.73936	0.8
71.01395	5.3
73.02950	0.8
80.75241	0.7
81.03481	5.4
83.01401	4.4
83.05044	1.0
85.02942	16.4
87.00885	1.7
89.02451	1.9
92.10744	1.6
95.13971	0.8
99.00872	0.9
99.04527	2.0
101.02438	30.9
108.02191	1.6
109.02954	35.6
111.00903	5.3
113.02440	4.9
123.00935	1.8
124.01719	1.0
125.02456	1.3
129.01945	75.7
133.02966	2.2
135.04536	9.4
151.00352	7.1
151.04091	3.2
152.01181	16.1
153.01952	50.4
154.02368	0.9
159.04515	2.2
161.02411	7.5
166.77759	0.9
177.01953	1.2
177.04019	4.4
177.05580	8.4
179.03517	11.0
194.02293	6.9
195.03011	44.5
195.04910	1.5
196.03395	0.9
221.04485	1.0
225.04262	0.9
254.04303	4.8
255.05132	35.4
263.05713	7.5
291.07358	1.1
297.06070	1.2
315.07327	3.3
323.07800	5.7
383.09821	7.0
427.08890	100.0
428.09485	1.4
537.29279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46547	1.6
59.01395	9.8
61.98838	2.1
69.03467	3.7
71.01401	3.3
71.45808	1.8
77.61651	1.8
78.95937	3.1
80.96525	3.5
82.57001	2.3
89.02438	2.3
94.98134	2.1
101.02467	3.5
129.52985	2.0
153.12885	2.3
167.14780	2.4
179.10799	5.1
197.11830	100.0
241.10835	8.3
253.09428	3.7
282.97498	2.5
303.23404	11.0
763.42633	81.8
764.42828	2.6
772.64117	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	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34357	18.9
78.95926	100.0
82.04948	20.8
152.99596	23.6
154.20531	20.3
190.33955	18.8
254.06387	21.4
255.23331	36.9
761.38885	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.1
71.01397	2.1
73.02908	0.9
78.95920	1.2
80.96541	1.3
89.02470	1.2
101.02486	1.6
102.34082	0.9
103.68670	1.0
136.13757	1.0
157.18710	1.2
163.11310	4.1
165.12830	1.2
209.11885	46.5
223.63405	1.2
227.12964	4.5
235.08241	1.8
253.09271	4.2
255.23326	100.0
256.23428	1.3
460.15500	1.1
738.95563	1.2
761.42651	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	761.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19554	1.4
59.01396	9.2
61.98832	2.7
64.31708	1.5
69.03477	2.8
71.01412	3.3
71.05033	1.6
78.95937	2.4
88.32481	1.6
89.02446	2.4
90.78286	1.5
101.02452	2.8
114.39094	1.6
125.09711	2.1
126.82104	1.5
130.94354	1.7
152.64977	1.5
161.04504	1.7
179.10800	6.7
197.11852	100.0
239.86011	1.9
241.10864	6.5
257.22751	1.9
301.21765	2.9
477.19714	2.5
481.06354	1.9
761.41302	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	761.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66048	3.2
59.01393	72.5
59.72793	3.6
59.79367	3.5
71.01378	37.9
76.99928	3.4
78.95929	23.0
81.06628	3.9
83.01392	3.8
85.02955	5.3
87.00905	8.8
89.02428	29.8
100.84670	4.0
101.02456	24.7
113.02457	8.4
117.10044	3.7
119.03554	4.5
121.34676	4.1
125.02447	7.7
131.33160	4.2
152.99609	14.9
235.08258	8.5
296.86340	4.2
303.23337	100.0
397.13580	77.5
415.14655	37.7
761.45947	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	761.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84384	1.4
59.01393	7.3
61.98854	2.0
63.00839	1.5
67.85743	2.0
69.03470	2.6
71.01393	3.3
77.23310	1.8
78.95912	2.7
89.02463	2.1
113.02502	1.7
125.09769	2.5
151.11299	1.9
154.54607	2.0
161.09706	2.6
179.10783	7.9
197.11847	100.0
211.95909	1.6
227.54819	1.9
230.42357	1.7
236.87401	1.7
241.10912	3.3
301.21863	3.4
477.19864	2.6
527.30353	1.8
545.33154	1.6
761.41205	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	761.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42940	3.5
57.03476	3.7
59.01395	26.3
59.64063	3.2
61.98846	7.2
71.01387	6.9
73.02985	4.8
78.95912	6.4
83.01418	5.1
84.48866	3.8
85.02980	22.0
88.81727	4.2
96.96016	7.7
101.02446	42.1
109.02993	6.4
111.00928	5.9
113.02421	6.5
119.05013	9.0
125.02421	5.3
129.01942	89.7
159.04485	6.4
161.02544	5.2
172.05319	42.5
185.06090	24.8
187.03957	5.5
201.05576	5.5
204.04219	5.2
213.05629	7.0
227.03514	8.7
229.05121	6.2
255.13910	5.3
283.13443	100.0
301.14444	25.3
327.12338	46.2
336.89859	4.2
345.13559	24.7
387.14587	10.6
413.16025	6.1
469.22342	53.8
507.18866	5.8
575.21527	9.1
589.26465	6.0
631.28052	5.2
682.22589	5.8
761.30200	21.2
790.14014	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	761.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	1.6
65.00333	1.4
81.03487	5.7
83.01385	1.2
93.03439	4.2
96.95990	4.2
117.03492	2.0
119.05026	37.3
119.80817	1.1
123.04542	12.0
124.62850	1.1
125.02482	1.4
133.02963	1.6
135.04550	2.1
136.98787	1.2
143.05046	2.5
145.02979	7.8
148.41422	1.1
151.00363	5.3
151.04051	1.1
153.01997	2.2
161.02466	5.6
174.03268	2.0
175.04047	1.7
177.01903	1.5
185.06036	1.2
187.04019	6.4
199.03998	2.2
199.39075	1.2
200.04774	1.5
201.90915	1.2
210.06995	1.2
213.02135	2.6
213.05634	1.4
214.02811	1.8
215.07187	1.9
225.01987	1.5
227.03474	1.7
229.05121	2.1
239.07130	2.5
241.05086	6.6
242.02243	1.8
243.02989	14.4
254.05911	5.8
255.02699	1.2
255.06676	5.3
256.00137	6.8
265.05203	2.1
269.00919	26.7
270.01682	1.2
278.05957	1.3
279.06653	5.5
280.07654	1.4
281.04651	1.3
281.08154	2.7
282.05444	2.0
283.02667	2.2
283.06155	17.4
295.02518	2.6
299.09286	1.5
305.07971	2.0
307.06232	9.4
323.09219	1.3
325.07172	11.0
335.05927	1.3
349.07278	4.8
351.05252	1.4
367.08380	9.7
375.05139	1.8
376.06064	5.0
389.06766	23.9
393.06317	13.8
513.11957	100.0
514.12457	1.9
693.55219	1.2
717.18494	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	761.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04582	2.6
53.44587	2.1
59.01385	5.4
61.88865	2.2
73.36868	2.4
76.57932	2.4
81.03469	5.5
81.50578	2.5
96.96012	29.6
109.02951	2.7
113.02496	3.8
119.05038	35.0
123.04511	11.3
125.02446	3.3
133.02998	3.2
135.04555	4.4
135.95090	2.6
145.02954	10.8
161.02396	6.5
174.03239	3.0
175.03951	5.0
243.03073	13.3
255.06653	3.1
259.06485	3.1
269.00977	27.5
279.06610	3.4
283.03018	5.2
283.06168	22.6
307.06119	4.3
323.09201	4.6
325.07306	9.7
330.68063	3.1
367.08234	5.2
376.06281	3.5
389.06821	28.5
393.05960	10.0
513.12012	100.0
627.79132	3.1
717.18097	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19047	0.5
59.01379	2.6
61.57084	0.5
62.29140	0.5
65.00331	1.6
74.56180	0.6
81.03456	7.0
83.77752	0.6
88.42330	0.7
93.03457	3.2
109.02930	1.6
112.49444	0.6
113.02387	0.8
119.05025	30.1
123.00768	0.8
123.04517	9.8
125.02433	1.0
135.04518	1.2
143.04988	1.3
145.02953	6.8
149.99567	0.9
151.00365	2.7
155.05109	1.0
161.02429	2.7
162.86940	0.7
173.02376	0.7
174.03195	3.8
175.03935	3.4
177.01846	0.8
185.02391	2.5
185.06042	1.2
187.03996	2.6
189.02002	0.7
197.06047	0.8
199.04077	1.1
200.04791	1.1
211.07637	1.3
213.01938	4.8
213.05478	0.7
214.02585	1.0
215.03484	1.2
215.07274	0.8
225.01926	0.9
226.09732	0.6
229.05171	0.9
235.07704	0.7
237.05580	1.3
238.06299	0.9
239.07181	2.7
240.04164	0.8
241.01436	0.8
241.05037	5.2
242.02089	1.4
243.02988	11.6
251.07257	0.8
254.05850	2.8
255.06618	3.6
256.00104	6.1
257.00830	1.5
257.08176	0.7
263.07050	0.9
265.05057	1.6
267.06476	0.7
269.00967	23.1
269.04190	0.9
279.06607	2.9
281.08179	2.6
283.02493	4.5
283.06113	15.8
295.02457	4.0
297.07745	1.6
306.05292	0.9
307.06274	6.1
323.09082	1.5
325.07239	8.5
331.06046	1.0
349.07153	4.0
351.04767	1.1
365.06796	0.9
367.08261	6.2
376.05994	5.8
389.06702	21.6
393.06293	11.2
513.11987	100.0
514.12323	4.0
626.54590	0.9
704.97064	0.7
717.18195	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	761.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
65.00340	2.7
65.85366	0.4
66.11683	0.3
68.99830	0.6
71.01377	0.5
73.38290	0.4
78.98264	0.4
80.05992	0.4
81.03456	5.3
83.01417	0.4
93.03465	2.5
94.21664	0.4
107.01414	0.7
109.02943	0.6
117.03488	0.9
119.05025	31.8
123.04516	10.3
125.02429	0.9
132.02229	0.5
133.02971	0.5
135.04510	0.8
136.98785	0.6
143.05031	2.2
145.02963	5.5
146.03751	0.6
147.04518	0.5
149.99561	1.7
151.00366	2.5
153.01965	0.5
155.04930	0.6
158.86607	0.5
159.04501	0.9
160.01749	0.5
161.02438	0.8
161.06125	0.5
171.04561	0.6
172.01640	0.6
173.02446	1.0
174.03185	3.3
175.04007	4.1
177.01974	0.7
183.04552	0.5
185.02287	1.5
185.06107	1.0
187.04004	3.2
187.07552	0.5
189.05609	0.5
193.06599	0.5
197.02496	1.5
197.06146	0.8
198.03253	1.8
199.04001	2.0
200.04828	0.6
201.01956	0.9
210.06834	0.5
211.04059	0.8
211.07695	0.8
213.01987	3.4
213.05504	1.4
214.02780	2.2
215.03586	0.7
215.07245	0.9
225.01949	1.0
225.05602	0.8
227.03441	0.8
227.07167	0.7
229.01421	0.7
229.05064	1.0
235.07608	0.7
237.05444	0.8
237.09070	0.6
238.06284	0.9
239.07185	2.9
240.04384	0.5
241.01508	1.7
241.05113	4.7
242.02284	2.6
242.06015	0.5
243.03000	11.8
251.07068	0.8
253.05171	0.6
254.05899	2.6
255.06549	3.7
256.00162	5.9
256.02829	0.4
256.03882	0.6
257.00848	1.7
257.08264	0.5
263.07010	1.7
264.04333	0.5
265.05066	3.3
269.00949	21.2
269.04276	0.9
270.01666	1.7
275.07080	0.5
277.05087	0.5
277.08887	0.6
278.05853	0.6
279.06674	2.6
281.04764	0.6
281.08258	2.3
282.05341	1.6
283.02530	3.0
283.06088	17.2
290.18616	0.4
295.02469	2.1
297.07687	2.1
299.09412	0.6
307.06198	8.2
309.03986	0.7
319.06152	0.5
323.05740	0.6
323.09277	1.6
325.07263	8.7
331.06271	0.7
347.05457	0.9
349.07193	2.9
351.05179	0.5
367.08224	6.5
375.05261	0.9
376.05911	5.8
389.06717	20.7
389.11835	0.8
390.07394	0.6
393.06192	10.8
513.11963	100.0
514.12024	3.4
717.18317	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	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34184	3.3
85.88502	3.3
97.08387	3.7
129.74445	3.8
141.45734	4.0
163.81178	4.2
209.11905	55.3
227.12964	7.1
253.09306	5.5
277.21808	100.0
371.97296	4.5
426.32843	3.8
497.85968	4.5
672.97845	4.2
759.40826	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	759.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51239	7.1
57.51825	6.2
59.78625	5.9
60.04758	5.0
64.70428	5.6
78.95898	63.6
88.57864	5.6
97.05530	6.5
99.00483	7.4
115.32355	5.7
149.51581	6.9
152.99600	83.1
195.13849	28.9
223.24583	7.7
253.21825	8.4
255.23343	100.0
261.46109	6.7
277.21826	37.4
293.21350	10.8
295.22812	58.6
318.88879	6.6
422.32675	7.3
523.26978	52.2
706.71167	8.6
759.47858	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28523	14.7
71.06230	15.2
78.95921	67.5
83.05193	14.3
107.23379	15.9
112.73386	13.7
136.44254	18.3
152.99628	69.0
154.50189	12.8
180.78581	16.0
214.26866	16.6
253.21739	19.1
293.21313	95.3
483.27005	17.4
521.25537	100.0
551.09259	15.7
757.46283	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	759.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	89.0
59.01661	5.7
59.20132	3.6
61.98833	40.7
63.46498	3.3
71.01370	47.7
71.75926	3.4
73.02961	7.2
78.95928	8.2
82.95444	17.8
87.00893	5.3
89.02437	30.7
97.02943	5.2
101.02433	32.1
113.02457	19.9
119.03506	7.2
125.02460	8.3
152.99623	5.3
161.04584	4.3
235.08278	5.3
257.22867	7.2
286.08508	4.8
301.21768	100.0
397.13544	94.6
415.14572	46.2
577.14618	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	757.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12040	1.1
59.01387	12.2
64.26478	1.1
71.01408	2.1
73.02932	2.0
80.48132	1.0
83.64954	1.0
85.02969	2.1
86.73310	1.2
87.00881	1.4
88.98808	1.1
101.02465	1.9
109.02975	1.7
113.02434	1.9
125.09688	1.7
131.60120	1.1
133.03015	1.6
136.78755	1.5
137.02509	1.5
149.06119	9.3
150.06876	100.0
153.01984	2.2
161.02446	2.1
162.06891	2.7
163.07649	28.6
164.08458	32.8
177.09248	2.2
178.09932	1.4
179.10796	50.5
268.61160	1.4
311.22455	2.5
327.25592	1.7
329.23398	39.9
426.15192	1.2
491.33698	8.1
494.32806	6.3
508.34119	29.7
508.99536	1.3
509.34845	34.4
713.41345	98.0
714.41577	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	757.4004
Annotation	Unguisin A
Peak:m/z	Relative Intensity
55.01886	1.9
55.53022	2.2
57.03456	2.6
59.01381	17.6
59.63068	2.0
71.01402	5.3
71.19401	2.1
83.05091	2.4
85.02972	3.1
89.02458	4.2
93.20793	2.2
97.06610	9.3
101.02460	2.7
113.02433	2.6
125.09731	2.7
127.07592	2.2
151.11328	17.6
153.09293	2.7
169.12344	100.0
171.10327	3.2
185.11835	5.1
197.11847	10.7
209.00060	2.2
209.11858	35.4
211.13429	2.5
213.11395	16.0
293.58771	2.2
307.19229	16.9
449.19974	4.3
739.39331	8.4
757.40436	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	9.4
122.47458	9.2
131.14304	9.3
134.93352	9.3
152.99586	11.6
163.11220	12.1
207.10275	75.3
225.11447	44.8
253.09488	13.0
255.23170	10.6
277.21774	100.0
425.68219	11.4
721.41870	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82670	17.8
55.55953	18.1
57.86518	16.4
61.98812	18.4
66.65247	17.3
70.59263	18.2
78.95920	24.6
88.98822	20.6
91.29355	18.7
109.13649	19.3
114.39169	20.1
116.92905	23.6
130.24495	19.5
138.03706	17.9
140.49179	19.8
149.36588	21.8
158.06038	20.2
203.64177	21.5
207.10286	35.8
217.93008	22.3
253.09326	26.5
277.21637	100.0
314.35400	22.3
356.78479	22.4
656.25983	28.7
721.42712	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25900	1.5
56.74251	1.7
59.01391	11.6
60.09830	1.4
63.01941	1.4
69.31312	1.4
71.01380	3.7
73.02949	2.0
78.95922	3.0
79.69650	1.8
81.16982	1.5
83.05033	7.7
89.02399	2.4
94.03870	1.7
98.86711	1.7
101.02453	2.8
111.08138	3.6
114.68272	1.6
152.99571	4.1
161.49826	2.0
163.11250	7.1
169.12358	8.3
171.10217	11.5
197.11826	18.8
199.13425	1.9
207.10277	2.7
209.11859	100.0
225.11264	4.0
227.12862	8.2
235.08116	2.1
253.09302	8.4
291.19681	10.8
293.21146	8.0
309.20755	22.0
309.61856	1.8
627.22559	1.7
655.73419	2.0
737.39624	2.3
755.38287	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	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	28.2
63.13274	2.7
69.03479	3.4
70.10957	2.5
71.01401	31.8
73.03001	2.8
78.90012	2.6
78.95918	4.2
85.02995	3.1
89.02481	3.0
92.10103	3.4
95.05061	6.3
101.02471	5.4
109.06612	12.4
111.08186	13.3
113.02486	5.6
152.99628	5.2
161.04567	3.8
163.11295	11.7
171.10352	22.8
171.46956	3.7
183.10278	6.9
195.13924	25.3
201.11397	7.1
207.10301	31.9
209.11877	71.7
209.76387	2.9
216.35146	2.8
223.13406	4.2
225.11320	26.4
227.13000	4.2
243.95699	2.9
253.09311	30.2
270.41348	3.2
291.19724	65.1
293.17947	3.9
293.21262	100.0
359.47070	3.1
441.19986	3.6
461.20313	3.1
663.46582	3.5
755.41870	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	755.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82243	75.9
64.34070	59.3
78.95929	90.5
103.76253	60.9
199.99298	72.0
232.78276	69.6
233.74065	90.5
262.11731	84.2
273.57892	100.0
415.34027	84.5
784.73273	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.5
61.98834	3.2
71.01396	4.4
73.02934	5.5
76.57559	3.5
85.02932	5.2
87.00928	2.9
98.43977	2.8
109.02988	5.1
113.02467	4.3
114.33974	2.9
125.09748	4.0
133.02924	3.0
149.06105	4.8
150.06888	79.8
153.01958	7.5
161.02370	5.8
163.07631	25.3
164.08426	20.0
171.10371	5.9
179.10786	42.0
200.92233	3.4
239.29875	3.0
256.29263	3.9
327.21866	26.1
489.32257	4.5
498.16565	3.5
506.32211	30.8
507.33212	24.9
643.16913	4.8
711.39545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
56.60589	1.4
56.83669	1.4
57.03456	7.4
58.95519	1.4
59.01392	100.0
66.50029	1.4
69.03477	1.7
71.01389	59.0
72.99340	1.5
73.02953	53.5
77.19835	1.7
77.20322	1.5
80.61943	1.7
81.88523	1.5
81.89077	1.5
83.01411	13.0
85.02966	16.4
85.06599	3.7
87.00905	2.4
89.02457	19.6
99.08158	2.5
100.88653	1.7
101.02444	38.1
109.02985	2.9
111.08171	64.8
113.02450	25.6
119.03533	7.1
125.02483	3.5
130.52008	1.6
133.03012	2.3
141.71065	1.7
143.10773	2.7
145.23886	1.7
149.46869	1.6
153.01976	3.9
161.02473	3.3
161.04552	8.7
183.71715	1.9
187.11945	2.2
187.13445	37.5
249.01428	1.9
267.14008	1.9
301.18106	8.5
318.38217	2.0
319.19211	3.5
343.19388	2.0
374.35385	2.2
489.32080	14.2
507.33383	2.5
602.15979	2.0
633.36938	2.9
651.37622	95.1
652.37433	3.1
669.39056	22.9
711.39813	28.1
780.33356	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	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37889	1.0
56.83393	0.9
57.03467	2.7
59.01385	17.6
59.01617	1.1
61.29530	1.1
64.46031	1.0
71.01376	7.8
73.02959	2.5
79.88287	1.1
81.03461	1.7
83.01389	2.6
85.02962	17.1
87.00865	2.1
87.96150	1.2
89.02424	1.4
92.10265	1.7
95.01399	1.3
97.02954	1.1
99.04542	2.6
101.02453	31.6
108.02209	2.3
109.02961	40.8
110.81512	1.1
111.00882	8.6
113.02487	5.3
119.05042	1.4
123.00942	1.5
124.01655	2.5
125.02440	5.1
129.01941	76.9
133.02977	7.3
135.04507	5.2
137.02396	1.8
144.83946	1.0
147.04425	1.2
149.00848	1.4
151.00354	8.5
151.04059	2.5
152.01141	16.6
153.01947	64.6
157.28282	1.2
159.04488	2.6
161.02399	2.5
177.01997	6.1
177.04065	3.9
177.05571	9.5
179.03511	1.9
191.57111	1.0
194.02254	7.7
195.02998	60.7
221.04723	2.6
228.69704	1.2
254.04402	4.9
255.05138	45.8
263.05692	8.5
291.07028	1.7
297.06195	1.9
315.07657	1.3
323.07718	4.3
383.09689	4.6
427.08841	100.0
428.09116	2.2
472.90030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.6
57.03455	3.5
59.01377	17.9
71.01378	7.4
81.03471	1.9
83.01412	4.0
85.02954	17.9
85.03381	0.9
87.00899	3.6
89.02457	3.8
91.01903	1.0
92.10824	1.6
95.01394	1.3
96.96030	1.0
97.02974	1.9
99.00890	1.7
99.04541	4.3
101.02453	36.3
102.07704	1.0
104.00551	0.8
104.37649	1.0
108.02171	0.9
109.02966	33.9
111.00882	8.7
112.33289	0.9
113.02504	1.9
118.61583	0.9
119.05110	1.3
123.00888	2.1
123.04537	1.4
124.01630	1.8
125.02444	4.8
127.04045	1.7
129.01949	87.0
133.02963	7.6
135.00861	1.0
135.04556	3.9
137.02437	1.2
139.03958	1.2
151.00346	5.4
151.04037	1.6
152.01158	12.0
153.01939	52.0
159.04532	1.4
161.02414	3.6
163.04044	1.5
176.98590	0.9
177.01968	2.0
177.04045	5.1
177.05577	8.1
179.03474	2.1
193.05086	2.1
194.02219	7.6
194.05368	0.9
195.03006	50.1
221.04477	1.7
225.04080	1.6
254.04337	5.7
255.05128	40.1
263.05615	6.5
289.81113	0.9
297.06177	3.6
315.07379	2.1
323.07791	5.1
383.09790	6.2
427.08871	100.0
428.09424	1.2
579.07635	1.0
597.14484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	5.0
58.00233	0.9
58.99258	0.9
59.01391	2.3
60.99900	0.9
72.99326	7.0
77.62656	1.1
83.01366	1.6
85.02953	18.7
93.03497	1.3
101.02462	2.5
101.82751	1.1
109.02972	4.7
117.24192	1.2
119.05023	1.9
125.02419	1.9
129.01941	12.3
132.02223	1.1
133.02953	2.4
135.04538	38.0
137.02472	1.8
147.03008	70.0
149.85258	1.1
151.00375	4.6
152.01256	1.8
153.01926	6.3
161.02443	1.9
163.04008	5.6
174.03403	1.0
177.01929	4.2
179.03503	33.2
187.03984	1.4
193.27209	1.0
195.02983	9.2
211.04041	1.7
227.03502	13.1
229.05124	2.8
255.02989	47.1
255.05243	6.4
256.03537	1.5
257.04651	2.5
283.02493	58.5
284.03317	37.9
285.04083	100.0
289.07141	1.3
309.06268	4.5
327.05453	1.9
446.09372	1.3
507.46310	1.1
545.87213	1.2
593.15240	62.3
755.20746	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	755.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.1
59.82496	3.3
71.01385	4.7
71.73716	4.1
94.18680	4.1
101.02448	6.5
101.47491	4.5
109.02957	15.0
117.03436	4.6
119.05012	30.5
121.02927	4.6
129.44263	4.2
134.22865	3.9
135.04535	8.2
145.02956	8.6
145.38983	4.7
147.86867	5.1
155.05092	6.1
161.02477	7.6
161.06023	4.8
164.69592	3.9
172.89371	4.9
173.05998	4.2
175.04002	5.7
183.04353	4.0
185.06055	6.3
186.07025	4.3
187.04037	7.5
189.05457	7.4
191.05687	4.1
195.83321	4.8
199.03999	19.7
200.04724	6.5
213.01799	4.8
213.05682	5.7
227.03513	9.3
241.05054	6.9
243.02954	31.6
254.05786	10.1
255.06551	8.1
260.03168	5.2
265.05026	7.6
265.15564	5.2
269.00989	44.2
278.06042	4.8
279.06708	6.0
291.06796	5.3
305.08438	5.3
365.10510	6.0
389.06747	65.6
496.99707	4.9
511.09525	4.8
512.11084	5.5
513.12177	9.3
609.14148	27.0
717.40869	5.1
755.17902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.6
64.34149	1.0
71.01383	1.8
82.96089	1.0
101.02428	1.9
116.80742	1.2
142.54437	1.3
146.58232	1.1
150.08217	1.1
168.25751	1.4
169.12289	8.1
197.11847	100.0
234.88469	1.1
253.09264	5.2
255.23384	2.1
277.21750	50.3
433.20688	7.5
463.88382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70041	0.8
58.79156	0.8
59.01383	4.8
61.98824	6.8
65.00324	2.2
68.99811	1.0
71.01373	1.2
73.02939	1.0
77.66936	0.8
83.01392	0.9
85.02972	1.2
89.02485	1.0
93.03465	3.6
96.95992	1.5
101.02419	1.4
109.02956	12.3
113.02463	1.0
117.03426	6.5
117.91121	0.9
119.04313	1.3
119.05022	33.2
121.02962	1.3
123.04518	5.6
124.01708	1.1
125.02437	3.4
131.05003	1.2
133.02945	2.1
135.04520	4.9
143.05040	9.5
145.02982	15.2
146.03674	1.2
147.04532	2.0
149.02435	2.1
151.00310	1.5
155.04985	3.6
156.43332	1.0
157.02968	1.1
159.04509	5.0
160.43895	0.9
161.02487	7.4
161.03542	1.0
161.06061	2.1
163.03976	1.8
165.05690	0.8
171.04535	3.6
172.05284	1.6
173.02399	4.2
173.06042	4.0
174.03200	3.9
175.03989	11.0
177.01802	1.0
181.06509	1.2
181.43900	0.9
183.04472	4.7
185.02399	2.1
185.06102	9.2
186.03157	1.5
187.04025	10.7
187.07690	1.9
188.04807	1.0
189.05592	7.7
190.02783	1.3
191.03523	16.9
195.04550	2.0
196.05313	1.4
197.02441	1.9
197.06100	4.5
198.03195	1.4
199.04012	12.8
200.04808	7.1
201.01973	6.5
201.05551	4.2
203.03490	3.8
209.06081	4.3
210.06883	1.8
211.04037	4.9
211.07629	1.2
212.04865	5.1
213.01994	7.9
213.05583	8.1
214.02686	1.5
215.03539	6.0
217.01672	0.8
217.05098	0.9
223.07654	1.6
224.04874	1.5
225.01947	3.8
225.05568	4.2
227.03563	7.0
228.04185	2.0
229.05080	6.6
230.02231	3.4
232.03674	4.0
233.04520	5.9
233.46153	0.8
235.07748	1.2
237.05594	3.6
239.07074	1.9
240.04303	4.7
241.01405	1.6
241.05077	20.7
242.02283	1.1
243.02991	40.6
243.06703	2.0
244.03633	1.3
249.05612	1.7
251.03531	1.3
251.06932	0.9
252.08363	1.0
253.05048	6.7
254.05885	7.3
255.06668	9.4
256.03738	1.5
258.01630	1.8
259.02466	5.6
260.03311	1.6
261.05649	1.3
263.07050	1.5
264.04211	1.8
265.05045	6.9
266.05756	1.5
267.06726	1.9
269.00946	35.4
269.04132	1.9
275.07074	2.2
277.05112	5.5
277.08667	1.6
278.05817	4.5
279.06723	9.2
279.33945	0.9
280.03775	1.4
281.04620	6.4
281.08130	1.9
282.05267	4.0
283.02438	3.6
283.06171	4.9
287.07108	1.2
290.05884	1.4
291.06763	6.8
293.04590	9.4
293.07837	2.2
295.02536	1.8
295.06235	1.6
295.09668	1.6
297.04105	1.0
299.07126	1.4
301.08664	2.1
303.06915	3.0
304.07370	1.1
305.08167	3.4
307.06094	3.5
315.06677	3.6
317.08099	3.4
319.06155	3.9
320.06879	1.2
321.07504	3.5
322.04553	1.0
323.05603	1.8
323.09088	1.8
329.08273	1.5
331.06039	1.9
332.06946	1.3
333.07764	4.8
335.05771	1.4
341.08276	1.0
345.07715	2.1
347.05484	1.6
347.09421	1.2
357.07797	1.6
359.05505	2.1
361.07281	4.1
363.08667	7.1
365.10275	4.1
373.07541	1.4
375.08817	6.7
376.05774	1.4
378.07562	1.6
379.08231	4.1
389.06732	40.7
389.11801	1.3
397.06845	1.3
399.08755	1.8
401.06552	1.2
403.08139	1.6
415.08459	1.5
441.09741	1.4
455.11435	1.0
457.09210	1.0
483.10657	1.2
511.10327	1.9
512.10962	7.1
513.11914	8.1
525.12286	1.5
565.15302	1.8
567.12677	1.4
609.14099	35.9
635.12036	4.7
661.14264	1.7
755.17786	100.0
756.18115	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	753.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00942	3.4
55.33083	4.5
59.01385	37.7
65.01039	4.0
67.41502	5.0
68.50973	3.8
71.01406	29.2
74.53728	4.2
78.95911	9.8
83.05059	6.5
85.02431	4.3
90.94028	4.8
92.10130	19.5
101.02435	8.0
109.06597	8.7
110.03822	5.0
111.04505	35.5
111.08157	8.0
123.08264	7.1
125.02477	5.6
125.09657	5.6
127.11287	5.1
151.11246	6.8
161.09729	22.8
171.10275	55.6
177.63855	5.1
179.10806	34.9
188.65843	5.2
195.13774	18.6
197.00906	4.9
197.11934	6.5
205.08783	25.5
207.10280	11.7
213.11330	5.7
213.55370	5.3
223.09793	100.0
223.13451	6.6
241.10666	5.8
253.09348	11.0
255.19720	4.5
275.20105	8.9
291.19473	6.2
293.21271	95.3
459.18643	23.9
639.97986	5.9
683.27649	5.5
735.39795	27.9
753.40479	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01393	7.5
64.48384	0.5
69.03474	4.4
71.01390	6.1
71.05029	2.2
73.02952	0.9
85.02950	1.1
89.02446	3.5
97.02964	0.7
97.06580	0.5
101.02432	5.1
113.02447	2.3
121.10188	0.7
125.09702	2.4
151.11293	2.7
153.12796	1.1
161.04561	0.9
161.09721	3.7
171.10271	2.6
179.10748	7.8
179.14291	0.6
195.13896	6.2
197.11845	100.0
198.12045	0.8
205.12315	0.8
223.09799	1.2
223.13341	3.3
225.11205	0.8
241.10852	5.0
253.09253	2.7
275.20294	4.6
291.19641	0.6
293.21179	12.5
309.20776	0.7
384.99979	0.8
400.20425	0.6
442.41318	0.6
477.19397	0.7
753.40704	83.0
754.41101	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	753.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40901	2.6
54.49369	2.6
56.13477	2.7
56.20244	2.4
59.01388	100.0
69.70975	2.6
71.01391	21.0
72.92129	2.8
73.02959	12.4
75.02405	2.7
77.56860	2.8
85.02958	32.6
97.02936	3.7
99.04540	2.6
101.02435	7.2
109.02970	5.9
109.26747	2.9
113.02482	17.4
139.08791	3.6
147.50417	2.9
153.01903	11.1
161.02454	15.6
162.84573	3.2
174.52745	3.1
175.13908	2.8
223.28587	2.9
235.48097	3.1
256.62613	3.0
273.14969	5.1
283.16675	3.7
301.17990	11.9
487.30270	5.9
505.18796	4.3
505.31876	14.4
528.31024	4.0
631.34967	5.3
649.36096	69.6
667.37433	25.9
709.38409	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	753.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46188	0.8
54.86484	0.7
55.01899	1.9
57.03472	1.2
59.01384	17.1
60.92669	0.7
71.01388	7.6
73.02956	1.1
75.00896	1.6
77.84473	0.7
81.03477	4.5
83.01410	4.5
85.02954	24.2
87.00875	3.5
89.02454	3.6
91.01881	1.0
93.03576	0.9
96.96038	3.5
97.02927	1.1
99.00887	1.8
99.04514	3.5
100.88233	0.8
101.02429	10.1
107.01406	1.3
108.02158	3.3
109.02951	61.4
111.00877	15.5
113.02465	3.9
119.05015	3.9
121.03038	0.9
123.00886	2.1
123.04500	1.8
124.01664	3.7
125.02429	4.0
127.03993	1.4
129.01941	16.1
133.02977	4.7
134.03755	6.8
135.04532	1.3
137.02448	3.7
139.00456	1.1
149.02414	1.8
149.06091	1.5
151.00360	10.9
151.04030	1.3
152.01160	26.3
153.01942	85.1
159.04526	4.0
161.02444	3.5
163.04076	3.3
165.01942	3.4
167.03520	1.2
175.04117	2.0
177.01863	1.4
177.04170	1.7
177.05566	10.5
179.03514	1.5
185.34048	0.8
193.05054	6.0
194.02260	11.5
195.03003	88.6
203.03720	0.9
221.04570	5.6
224.03363	3.9
225.04042	3.7
254.04309	10.3
255.05110	84.6
263.05664	11.2
296.61624	1.0
297.06168	7.0
315.07202	4.2
323.07764	7.5
383.10028	7.0
427.08862	100.0
428.09195	1.0
660.98749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01999	0.3
59.01404	1.4
63.08501	0.3
71.01391	14.6
76.57256	0.3
85.02959	0.5
89.02455	0.6
109.02959	0.6
113.02450	1.8
115.00389	6.1
116.98508	0.3
119.05029	59.8
120.05377	0.8
126.23348	0.3
127.50396	0.3
129.01897	0.4
133.01437	0.4
133.02974	6.4
135.04539	5.6
137.02455	0.3
147.02997	1.3
161.01108	0.8
161.02458	23.9
162.02708	0.4
163.04019	100.0
164.04378	2.0
177.05534	0.7
177.59009	0.4
179.03450	4.9
202.13165	0.3
203.03546	3.7
221.04485	0.6
243.43707	0.4
279.05142	5.3
281.06491	1.2
323.76221	0.4
341.08817	6.0
413.97617	0.4
439.12549	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	751.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45181	0.4
59.01390	0.9
59.47314	0.4
71.01389	14.5
72.99332	2.2
85.02940	0.5
87.00898	0.9
89.02444	3.3
92.05062	0.9
109.02994	0.7
109.70207	0.5
111.17932	0.6
115.00378	39.7
117.63545	0.5
119.05031	41.0
125.02463	0.9
133.01436	100.0
133.03024	4.4
135.04506	3.3
136.04025	2.0
142.06581	0.7
146.64966	0.5
147.98973	0.5
150.03215	2.3
151.00333	0.5
161.02469	12.2
163.04018	39.0
165.05560	1.9
167.03496	2.7
179.03528	2.5
191.05730	0.8
203.03571	0.6
211.07666	0.5
221.63741	0.5
275.34897	0.5
279.05154	5.1
286.07239	0.5
295.38828	0.5
341.08789	2.5
352.55887	0.5
439.12454	1.1
626.94318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.3
71.01377	25.2
78.95958	3.3
85.02955	8.2
87.00880	4.3
89.02427	20.2
90.02075	2.0
100.02097	1.9
101.02451	14.6
111.08177	13.0
113.02470	4.1
119.03490	2.6
125.02454	3.4
133.02890	3.3
163.40358	2.4
180.75850	2.5
185.80283	2.4
191.29207	2.0
195.13933	5.4
209.11824	10.0
211.13422	17.2
235.08171	4.0
282.68546	2.4
291.19687	100.0
397.13614	31.4
415.14490	18.3
560.09149	2.3
609.44922	2.4
689.34052	11.2
783.94116	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	750.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25761	1.9
55.89719	1.7
59.01390	2.0
71.60441	1.7
74.99091	52.3
79.95750	17.2
80.96524	3.4
85.02947	1.7
95.95222	67.1
96.96010	100.0
101.02433	2.1
119.04723	1.9
135.04518	4.4
138.97049	2.2
147.63989	1.8
166.03253	2.6
179.03464	4.2
202.31422	1.9
243.50995	1.9
408.04327	78.8
591.86481	2.4
662.05084	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	745.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96729	13.0
56.58047	13.4
61.98848	17.6
70.71820	15.9
72.99329	64.0
78.95949	14.8
80.39507	13.2
88.98824	100.0
101.12926	15.2
113.41526	15.2
165.83292	16.6
173.59518	18.8
226.90895	16.6
247.21193	16.2
279.17087	15.6
293.21402	18.8
359.21100	15.2
368.64407	14.4
545.37891	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	748.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.0
75.43653	8.4
89.02452	9.1
105.98286	9.8
118.94351	7.0
161.89078	8.5
167.11642	7.5
233.73352	8.1
323.03809	7.8
352.67041	7.9
376.60437	7.6
532.47076	11.8
685.43658	8.8
712.53992	100.0
748.50995	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	749.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.1
57.03475	0.9
59.01387	28.5
69.03466	1.1
71.01378	14.7
72.99303	1.0
73.02967	3.3
74.83416	0.8
81.03491	0.9
82.50618	0.8
83.01414	2.1
85.02969	4.9
87.00893	1.6
89.02444	13.8
89.02843	0.8
92.10032	1.6
95.01357	1.2
97.02924	1.1
101.02431	13.1
101.58124	0.8
105.26085	0.7
113.02472	6.1
119.03501	3.5
125.02454	5.2
133.84329	0.8
140.92990	0.9
147.80807	1.0
153.67955	0.9
161.04514	1.4
163.11317	0.9
165.12823	20.5
179.05756	1.1
190.63472	1.0
209.11882	1.7
220.41035	0.9
235.08243	3.5
238.29518	0.9
247.20717	11.2
251.09474	0.9
273.18628	8.2
291.19678	100.0
296.12747	1.1
397.13550	36.0
397.18079	1.3
410.48285	0.9
411.22668	1.0
415.14569	22.3
465.09137	1.0
595.76025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62685	0.8
60.99319	21.4
60.99579	1.2
61.41772	0.8
64.32533	0.9
78.95897	1.8
87.00907	1.1
88.00448	1.0
88.93551	1.1
88.98811	100.0
89.02470	5.8
100.82596	1.3
118.27385	0.9
125.02324	1.0
141.37907	0.9
207.15962	1.2
248.40031	1.1
255.23398	1.2
384.97311	1.2
414.13040	1.1
525.50427	1.1
550.61975	1.2
598.28094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58612	1.5
54.82702	2.1
55.72618	1.2
55.81519	1.6
59.01396	2.0
73.85933	1.6
85.02955	3.8
92.39130	1.8
109.02940	3.5
119.05013	24.0
133.02940	16.9
135.04517	2.1
161.02440	8.4
163.04007	43.9
175.04048	2.3
225.05351	2.7
243.02843	2.1
249.35983	1.8
284.03275	8.2
285.04126	21.6
297.04074	26.7
298.04803	25.9
299.05609	21.0
309.03796	2.5
311.05719	8.6
325.03610	2.4
327.05130	70.2
339.04919	7.7
357.06213	46.1
369.06091	3.0
411.07239	2.1
429.08636	2.0
430.76669	1.9
447.09396	100.0
448.09613	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	741.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94328	0.5
60.03658	0.7
76.57223	0.7
85.02943	5.4
95.01379	0.8
109.02965	3.5
119.05024	33.2
121.02944	1.6
125.02445	1.7
129.01942	1.5
133.02957	19.0
135.04472	1.4
146.33347	0.8
147.04564	0.8
149.02483	1.0
151.00476	0.8
161.02435	4.5
163.00383	5.0
163.04010	47.2
165.01944	1.8
175.03993	4.2
177.01909	1.4
191.03513	1.3
199.03954	3.2
201.01962	0.9
203.03548	1.1
225.05687	1.0
241.05087	1.1
243.02933	1.2
253.05009	1.3
269.04346	1.2
284.03296	10.9
285.04095	22.7
297.00925	1.5
297.04080	33.6
298.01666	1.3
298.04871	26.6
299.05624	17.1
311.05554	8.7
324.02734	1.8
325.03543	1.4
327.05133	75.2
328.05533	1.3
330.03848	0.8
339.05130	8.9
341.06693	1.2
357.06226	61.3
361.42966	0.7
369.06119	3.5
387.07047	0.8
429.08295	4.4
447.09415	100.0
654.19098	0.8
721.09424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53204	0.3
59.01387	3.7
60.01723	0.5
61.98837	100.0
81.03470	1.5
82.03809	0.3
83.05024	4.5
84.05367	2.0
109.02969	0.4
133.02968	0.4
135.04547	0.5
161.02423	0.4
225.16060	1.9
226.16357	2.0
226.18340	0.3
306.18042	0.3
452.33835	0.4
453.33313	1.4
454.33484	0.5
662.49982	0.5
678.50079	2.4
679.50415	5.6
680.50720	18.5
740.49481	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.81144	0.4
59.01384	5.0
61.98840	0.9
70.74735	0.4
71.01395	2.5
78.95916	0.6
79.62698	0.5
80.02676	1.2
81.03452	0.9
83.01387	0.5
83.05019	5.9
84.02172	1.1
85.02939	1.0
89.02457	1.3
101.02450	2.8
105.10116	0.5
109.06593	0.6
113.02447	1.1
119.03427	0.6
124.65878	0.5
125.06049	0.8
135.08165	0.6
148.59895	0.5
149.51772	0.5
150.16800	0.5
161.04462	0.7
163.11252	5.5
165.12822	3.3
169.12355	0.7
195.13882	3.4
209.11853	100.0
210.12198	0.9
223.13397	2.7
227.12852	7.7
235.08211	0.9
253.09312	8.2
275.20120	3.6
293.21271	33.5
390.80063	0.7
445.20444	0.9
456.79648	0.6
520.03760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40152	0.8
56.99428	0.9
57.03472	1.0
59.01387	10.3
61.98841	1.4
71.01398	2.6
73.46039	1.0
78.95935	1.5
80.02638	1.1
81.03458	1.0
83.05043	4.4
89.02428	2.5
101.02442	4.8
113.02462	2.0
139.34653	1.2
149.76875	1.0
163.11322	4.8
189.23578	1.3
195.13864	12.3
201.88994	1.1
209.11855	100.0
220.60631	1.1
223.13376	4.7
226.72023	1.1
227.12918	7.3
235.08206	1.9
253.09325	13.4
275.20270	7.8
293.21277	99.3
294.21640	1.3
739.41394	1.3
752.35052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32396	1.4
59.01393	7.4
66.23700	1.1
66.35857	1.2
69.03477	3.3
71.01402	7.0
78.95918	6.7
83.05044	1.2
89.02447	1.8
101.02433	3.1
123.08215	1.4
125.09740	1.6
151.11276	2.3
152.99629	7.0
161.09763	2.8
179.10786	8.6
197.11842	100.0
203.90398	1.3
208.87679	1.5
241.10762	5.7
279.23297	40.0
327.98691	1.6
377.61194	1.6
497.51486	1.7
612.53058	1.4
739.42883	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	15.4
61.98851	1.4
71.01408	4.1
71.34547	0.9
78.95907	6.8
80.96519	1.2
89.02444	2.2
92.10841	2.4
94.61366	1.1
96.96860	1.0
101.02464	1.8
113.02473	1.0
126.59791	1.1
152.99617	1.6
153.09267	2.1
157.75218	1.0
165.09221	9.0
180.67722	1.2
183.10281	21.8
235.08061	1.2
253.09264	8.7
277.21765	100.0
444.09341	1.0
739.41248	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	739.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03454	2.4
59.01383	100.0
66.59873	1.3
67.12469	1.5
71.01382	39.0
71.01723	2.1
72.57195	1.3
73.02942	43.1
83.01389	11.6
83.05006	2.2
85.02953	12.3
85.03411	1.5
87.00888	5.8
89.02437	15.2
93.03441	5.6
95.01406	2.6
101.02435	30.6
109.02982	8.3
113.02442	20.4
119.03493	3.5
121.02894	1.6
131.03508	1.9
133.02933	1.7
153.01955	13.0
161.04610	3.9
168.06351	1.4
187.07582	3.2
195.03116	12.4
215.07193	2.8
253.24158	1.7
255.05133	2.5
257.07797	1.9
296.74094	1.7
341.23648	2.1
379.26721	2.1
439.28882	2.1
449.14294	5.3
455.31723	3.3
473.32733	10.4
491.33810	2.2
573.16620	3.6
635.38110	67.1
653.39093	14.7
671.21057	2.2
695.40253	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	739.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45413	0.5
57.03456	1.6
57.20002	0.6
59.01389	0.9
73.39442	0.7
81.03468	1.5
83.01398	3.4
89.03976	3.4
93.03449	0.7
95.05027	0.8
96.96035	3.0
97.02969	3.0
105.03482	1.0
106.81429	0.7
108.02151	0.7
109.02962	28.7
117.03463	0.9
119.05100	1.1
121.02983	3.7
123.04537	10.9
125.02448	12.6
132.85738	0.7
133.02950	12.7
135.04533	4.3
137.02454	21.0
137.85153	0.7
139.04022	3.0
145.02965	0.8
146.03735	0.9
147.04526	1.1
149.02483	5.6
150.03221	3.6
151.03996	11.0
159.04567	4.1
161.02463	26.5
161.06104	3.7
162.03290	1.1
163.03993	1.3
164.01193	2.7
165.01941	1.5
167.03491	1.3
175.04059	2.8
175.07655	1.3
176.01199	2.9
177.01944	100.0
178.02405	0.8
179.03468	5.1
179.34543	0.6
187.04022	3.2
188.04706	0.8
189.01950	9.8
198.19040	0.8
201.01923	1.5
201.05573	2.8
202.06441	0.8
203.03529	6.0
203.07117	9.7
205.01550	1.4
205.05107	5.4
215.03563	3.1
216.00658	3.4
217.01413	5.3
221.08263	0.8
227.03546	7.4
227.07123	1.5
229.01472	7.1
239.03500	1.0
245.04443	2.7
245.08218	12.0
255.03011	0.9
255.06674	1.0
262.86597	0.7
269.04770	0.9
281.04642	3.4
283.05814	1.0
287.05542	4.8
289.07214	28.1
293.04642	1.1
295.05991	1.3
299.05688	1.0
305.61703	0.8
307.02490	2.6
308.03314	1.2
321.04196	6.0
325.03671	3.5
327.05228	0.9
337.07224	0.9
339.05118	17.4
415.07986	0.9
417.06158	2.8
435.07117	8.5
449.08859	8.4
451.10413	4.1
459.07288	4.5
543.12750	0.9
569.11157	4.3
587.12274	13.7
629.13855	1.0
739.16779	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	738.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.1
59.01384	2.5
60.01731	0.1
60.02073	0.1
61.98835	100.0
66.95877	0.1
68.42183	0.1
69.03432	0.1
71.01377	1.2
72.01727	0.2
73.02930	0.2
85.02960	0.2
87.00910	0.1
89.02446	1.3
90.02750	0.1
94.12199	0.1
97.02939	0.2
100.22179	0.1
101.02450	0.9
102.02818	0.1
106.57272	0.1
109.24685	0.1
113.02444	0.5
113.19987	0.1
125.02431	0.2
195.84694	0.1
225.78505	0.1
243.96785	0.1
269.00873	0.1
277.21765	1.5
278.22134	2.2
279.22556	0.9
280.22455	0.1
397.13571	0.5
398.13892	1.1
399.14059	1.4
400.14310	0.9
415.14374	0.2
416.14886	0.5
417.15039	0.5
418.15149	0.2
523.10040	0.1
714.63818	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	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38080	0.1
54.82324	0.2
59.01387	2.9
60.01714	0.2
61.98833	100.0
71.01373	1.4
73.02947	0.2
85.02938	0.3
87.70299	0.1
89.02438	1.4
90.66390	0.2
91.02845	0.2
92.10736	0.2
97.02940	0.2
99.87785	0.2
101.02451	1.1
102.02745	0.2
113.02419	0.3
119.03480	0.2
120.20333	0.2
192.04286	0.2
210.80818	0.2
235.08134	0.4
237.63885	0.2
277.21765	2.3
278.22037	3.0
279.22354	1.1
280.22696	0.3
397.13403	0.9
398.13800	1.7
399.14038	2.3
400.14172	0.7
414.79541	0.2
416.14798	0.3
417.15329	0.4
457.88736	0.2
759.83960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4265
Annotation	Bisglaucumlide F
Peak:m/z	Relative Intensity
53.73793	7.1
55.76928	8.5
66.02765	7.8
70.41403	8.3
73.65444	8.2
74.90958	9.3
80.96524	21.5
91.00978	8.8
99.09431	9.9
115.46333	8.6
154.07457	9.6
209.11844	39.9
210.38992	10.7
227.13000	11.8
255.23346	100.0
344.15530	9.0
365.59723	9.3
737.42664	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90261	0.2
56.96587	0.2
57.00761	0.2
58.02993	0.3
59.01383	14.2
75.06424	0.2
80.05067	0.2
80.78313	0.2
81.03452	7.5
83.05025	22.5
83.71478	0.2
100.07692	0.2
103.48621	0.2
107.06151	0.3
108.04520	0.2
125.07188	1.9
126.05600	0.3
143.08273	0.8
161.41023	0.2
164.21980	0.2
183.39406	0.2
207.15076	1.6
224.17674	3.9
225.16104	17.5
228.79045	0.2
238.20738	0.2
242.18669	0.8
260.40091	0.2
268.16827	0.3
309.21902	1.3
324.26636	0.4
333.23053	0.7
341.29245	1.3
367.27103	1.1
433.31781	1.1
450.29147	0.2
450.34680	2.0
451.32956	9.1
496.61578	0.2
550.43311	1.2
559.39362	0.4
565.44739	0.2
576.20660	0.2
593.44263	0.8
659.48676	2.1
677.49792	100.0
678.50024	3.4
756.29901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82949	1.6
55.01913	1.9
55.15881	1.6
58.94150	1.8
59.01386	100.0
61.98844	7.1
71.01382	16.7
73.02966	7.4
79.62535	1.7
83.01424	2.3
85.02968	13.8
89.02476	2.9
99.04521	42.4
101.02445	16.3
111.54050	2.0
111.77156	2.0
113.02473	10.1
133.02937	2.9
136.77586	1.7
159.03162	1.9
161.02454	3.4
161.04547	1.9
209.11859	24.0
227.12991	2.1
247.90381	1.6
305.56155	1.8
359.29745	2.1
503.34036	4.2
521.35168	12.6
535.33069	3.6
563.36005	19.0
595.34900	7.5
603.39386	3.8
633.39795	3.1
663.41302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82483	0.4
55.01894	3.3
57.03448	2.6
59.01384	100.0
60.83117	0.4
61.98847	0.5
69.03465	0.8
71.01382	27.8
72.99313	1.0
73.02943	9.8
75.00881	0.5
83.01399	6.2
83.05050	0.6
85.02958	15.1
87.00882	2.4
89.02444	4.1
95.01384	3.7
97.02943	0.8
99.00877	3.6
101.02448	22.5
113.02457	11.0
116.92908	0.4
117.01795	0.5
119.03535	0.6
125.02431	2.1
128.17720	0.6
133.02997	0.6
134.22157	0.5
143.03511	0.9
159.03023	0.8
161.02429	0.8
161.04605	2.5
198.76347	0.6
327.27011	1.0
328.72281	0.5
341.24869	1.0
343.26465	3.1
355.26382	0.7
357.27881	0.6
373.27548	2.6
375.24622	0.9
375.29163	17.4
378.24442	0.5
389.27124	2.5
407.28076	8.5
419.27945	2.2
432.80435	0.5
457.33411	3.8
489.35910	0.9
519.33606	6.7
533.35010	0.8
551.32617	4.3
582.66077	0.6
585.38379	0.7
625.66962	0.7
633.40161	16.8
651.41284	40.1
652.41901	0.7
677.38904	0.6
687.00336	0.6
693.42334	27.7
694.42535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29274	2.6
59.01387	19.0
60.90196	3.4
61.22607	2.9
63.32737	3.1
71.01399	5.8
74.88024	3.0
109.06606	22.6
115.59172	3.8
163.11317	6.1
189.09189	3.9
195.13878	4.2
207.10306	82.8
225.11330	26.7
253.09286	17.8
275.20404	5.7
293.21280	100.0
293.24377	7.0
300.15887	3.7
526.19208	3.9
588.68188	3.9
605.87720	4.0
737.41223	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	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
59.01389	9.2
67.98572	1.0
69.03465	4.6
70.39996	0.9
71.01384	2.2
73.02949	1.9
74.52158	1.0
78.26610	1.0
78.95907	1.4
80.96538	1.0
85.02986	1.5
85.47598	0.9
89.02441	1.9
101.02451	5.7
113.02472	1.4
125.09676	2.0
130.70712	1.0
135.45802	1.1
151.11311	2.4
152.00957	1.2
161.09749	5.6
164.68784	1.1
166.92586	1.4
179.10794	8.3
197.11856	68.7
205.29395	1.1
241.10745	1.7
253.09305	2.0
277.21759	73.6
447.49768	1.1
477.19705	1.9
737.41260	100.0
738.41821	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	737.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15837	0.9
55.01915	1.2
57.03468	1.1
57.72478	1.0
58.00605	1.5
59.01393	53.2
60.30207	1.0
64.34728	1.2
69.03446	1.2
71.01392	26.5
71.98975	1.1
72.06914	1.1
73.02965	6.5
78.95899	1.9
83.01410	5.2
85.02950	8.8
87.00891	6.2
89.02443	27.3
95.01401	1.6
97.02962	4.9
99.00910	1.4
101.02450	23.6
101.52027	1.2
103.23201	1.3
113.02460	10.4
119.03479	9.4
125.02462	10.2
133.39465	1.3
141.01724	5.6
143.03477	2.1
161.04543	6.0
192.79384	1.4
203.03723	1.4
235.08243	8.3
255.89639	1.4
279.23315	100.0
287.07773	1.7
291.71243	1.4
305.08679	1.7
337.18011	1.4
397.13571	75.6
415.14563	26.8
456.98941	1.3
543.11365	1.3
543.21082	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	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79126	0.2
52.11269	0.2
54.86067	0.3
55.01883	0.6
56.42828	0.2
57.03458	0.4
58.00607	0.2
59.01381	6.5
59.01655	0.4
61.98848	0.3
65.34957	0.3
69.03459	4.3
71.01392	5.0
71.05020	2.3
71.27509	0.2
73.02971	1.1
78.95910	0.4
81.03475	0.3
83.01389	0.4
83.04998	0.3
85.02985	1.3
87.00890	0.4
89.02448	3.3
89.92893	0.3
92.10760	0.3
92.65279	0.2
97.02925	0.3
97.06604	0.5
99.00877	0.3
101.02449	4.3
113.02474	1.7
116.92892	0.2
119.03515	1.1
123.08154	1.3
125.09727	2.9
137.09726	0.3
144.48317	0.3
151.11317	1.9
153.12871	2.2
161.04631	0.6
161.09705	2.3
163.82622	0.3
173.73703	0.3
179.10773	7.0
197.11856	100.0
198.12238	0.5
205.08707	0.3
223.09755	1.3
241.10812	3.8
253.09293	3.2
277.21753	31.6
322.22348	0.3
459.18939	0.5
477.19788	2.3
575.36304	0.4
737.41321	74.1
738.41364	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78564	0.9
52.66674	0.8
54.40372	0.7
55.01894	0.8
59.01383	40.8
64.73386	0.9
65.50484	0.9
71.01377	25.1
72.99308	1.0
73.02955	4.4
74.49148	0.9
81.03455	1.1
82.89016	0.9
83.01413	4.6
85.02974	4.9
86.63167	1.0
87.00884	6.4
89.02435	27.3
89.02933	1.3
89.99075	1.0
95.01426	1.1
97.02952	5.4
99.00883	1.2
101.02434	22.1
113.02447	8.2
119.03488	4.6
120.81077	1.0
125.02454	9.5
131.03514	1.0
143.03572	2.1
161.04547	4.5
170.54468	1.1
179.05655	1.4
207.10152	1.6
213.52228	1.0
223.13470	1.3
235.08261	8.2
253.09425	1.2
279.23303	100.0
287.07819	1.5
293.21252	2.1
305.08636	2.2
334.90759	1.0
397.13559	71.1
415.14679	21.8
437.99048	1.0
572.30334	1.1
755.17297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
59.01395	6.3
68.15382	1.3
71.01399	5.3
72.99279	1.1
75.00868	35.8
85.02966	5.1
87.00897	7.2
92.10142	1.8
99.00893	11.6
105.03509	1.3
129.01952	21.3
133.02928	8.7
134.03755	28.1
135.04532	55.7
147.04457	2.5
150.43808	1.3
159.03023	10.7
161.02458	17.9
177.04074	2.0
179.03520	40.0
189.01718	25.9
195.05112	100.0
200.00775	1.6
201.01715	99.2
203.03568	1.5
215.03264	9.6
259.02267	2.4
283.02197	11.3
357.08182	6.1
379.06509	88.1
423.63797	1.3
449.71875	1.4
575.12402	11.3
630.42407	1.3
656.78735	1.4
673.54034	1.3
692.93390	1.4
737.15747	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	735.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94366	1.5
55.08353	1.6
58.74117	1.6
59.01383	14.0
60.57607	1.5
67.12902	2.0
69.03494	1.4
71.01390	2.9
73.67140	2.0
78.95913	1.9
89.02480	3.1
134.46298	1.9
138.32657	1.9
155.64053	1.8
167.10915	2.6
179.14395	2.8
195.13904	25.9
205.12422	15.9
223.11279	3.9
223.13432	100.0
223.15596	4.3
253.09373	13.0
275.20325	4.1
293.21277	88.5
311.13367	2.2
347.31805	2.2
370.81537	1.9
415.78445	2.1
437.52667	2.2
459.22424	9.1
502.40781	2.1
582.42584	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	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65875	0.2
52.66145	0.2
53.37917	0.2
59.01393	2.2
59.01644	0.2
60.57075	0.2
61.98833	100.0
62.09238	0.2
71.01383	0.3
73.02977	0.3
83.05053	0.3
89.02419	0.4
101.02502	0.4
110.64738	0.3
113.02488	0.2
125.87962	0.3
135.04572	0.2
138.81429	0.2
147.55853	0.3
162.09436	0.3
209.11859	5.8
210.12198	3.9
211.12361	1.1
227.13083	0.4
338.45590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70089	13.6
53.59879	14.0
56.98574	15.0
60.52556	15.1
62.49122	17.9
78.95897	21.8
84.62692	19.0
102.28962	16.3
104.09541	18.7
106.27882	17.9
185.82491	17.7
191.34386	19.5
207.10326	26.0
216.48788	19.5
237.67375	24.4
245.04845	17.0
255.23332	100.0
362.68353	23.0
682.02887	21.1
699.44092	30.2
765.69159	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
60.03730	0.6
60.54712	0.5
68.47824	0.6
70.30580	0.6
79.95724	2.6
91.50359	0.6
96.96008	100.0
109.02979	0.9
112.04053	6.4
122.06051	0.8
126.90439	0.7
131.03731	0.7
133.02983	0.7
135.04555	1.4
136.07672	1.0
136.95018	0.6
148.04057	1.5
149.04800	0.7
150.05621	12.5
151.04210	0.6
153.01866	0.7
154.93381	0.6
159.04576	4.4
159.05606	0.6
161.02452	1.3
161.04839	6.3
164.03430	0.7
175.06438	2.3
176.05869	0.9
179.03516	0.8
185.78090	0.7
191.08308	0.9
195.02991	0.9
202.08792	7.5
203.03458	0.7
217.09898	0.8
219.11343	3.3
245.09315	8.3
247.08182	0.7
263.07492	1.0
263.10324	9.0
279.06625	0.7
283.06122	6.9
307.06256	0.8
351.05096	0.9
401.10046	0.9
426.16687	4.1
470.19379	12.0
487.10300	5.2
593.26239	0.8
607.27716	3.1
637.29010	4.2
691.17395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42931	0.2
57.57720	0.2
57.91074	0.2
59.01398	0.4
72.91602	0.2
73.18831	0.2
73.42342	0.2
79.95735	2.8
85.02967	0.3
92.10128	0.6
96.96011	100.0
102.23799	0.2
122.06140	0.8
136.67470	0.2
139.94676	0.2
160.06458	2.7
161.07211	1.5
172.06500	0.3
173.07158	0.4
187.08720	0.3
188.09743	0.3
189.10413	2.3
213.10374	0.4
215.08180	0.8
267.10083	0.4
282.12524	4.0
294.12463	1.9
310.15637	3.1
336.13608	1.9
354.14636	16.0
355.14850	0.3
362.15350	0.7
378.91028	0.2
392.09265	0.4
394.46555	0.2
398.17239	3.6
402.07355	0.2
406.14105	1.0
436.11905	0.4
444.08685	0.4
491.19336	0.3
528.58124	0.2
535.21741	0.3
573.16632	0.3
588.16736	0.3
635.27246	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	734.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03450	1.2
57.09399	0.5
58.26112	0.5
59.01390	13.9
65.30997	0.7
67.01899	1.0
67.76250	0.6
68.99845	0.7
71.01371	5.6
73.02942	0.7
81.03453	4.1
83.01407	3.0
85.02955	17.1
86.75860	0.7
87.00896	0.9
89.02466	0.8
90.25536	0.6
91.01914	0.8
95.01380	1.2
99.00883	1.3
99.04514	3.0
101.02437	16.5
107.01423	0.8
108.02169	1.4
109.02958	41.1
111.00870	11.2
113.02454	1.4
115.05550	3.8
116.05064	1.2
123.00897	3.5
123.04553	1.3
124.01608	2.6
125.02475	3.4
127.04016	2.6
129.01941	45.6
130.06628	4.5
132.04539	1.2
137.02437	1.0
144.04591	2.7
146.06133	3.5
146.66365	0.7
147.04538	0.7
149.06096	0.8
151.00386	9.2
151.04022	2.7
152.01144	17.3
153.01944	67.2
154.02228	0.9
158.06111	56.4
159.04504	3.4
167.03481	1.0
174.05605	16.9
177.04068	2.3
177.05580	10.7
179.03471	0.9
194.02219	7.3
195.03003	58.8
202.05133	20.7
203.03593	0.8
220.06136	3.7
221.04544	3.8
224.03311	1.6
225.04013	2.9
232.37538	0.6
254.04303	4.9
255.05133	63.5
262.07166	2.4
263.05679	9.2
286.28455	0.7
291.07349	1.0
297.06189	5.6
310.08963	0.7
315.07376	2.9
323.07864	6.8
359.91138	0.7
383.09723	5.6
427.08871	100.0
428.08972	0.8
495.20242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53883	0.4
59.01386	5.7
69.03475	1.0
71.01408	2.5
75.53318	0.4
78.42656	0.4
78.95918	1.0
80.02670	1.5
81.03487	0.9
83.01427	0.6
83.05033	6.3
83.05415	0.4
84.02187	0.7
85.02981	0.8
89.02442	3.5
94.41206	0.4
95.05040	0.8
101.02459	2.9
104.50877	0.4
105.69236	0.5
113.02453	0.8
116.16019	0.4
119.05035	2.6
125.06113	0.5
125.09737	0.6
135.08167	0.5
138.47516	0.4
143.03424	0.5
161.04602	0.6
163.04030	2.3
163.11298	3.9
165.12859	2.9
167.10802	1.8
179.10847	0.5
179.14476	1.5
181.12364	0.4
191.10867	1.0
195.13968	5.2
205.12323	3.6
209.11865	100.0
210.12244	0.7
217.59741	0.4
223.13431	32.2
227.12947	10.8
235.08260	0.7
253.09303	5.3
334.23322	0.5
445.20795	2.8
459.22595	3.0
651.33600	0.6
750.83081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97053	0.1
59.01381	0.3
71.01396	0.2
71.54001	0.2
73.12912	0.1
75.78170	0.1
83.59323	0.2
84.64859	0.2
87.00938	0.2
89.02396	0.2
93.03438	0.2
113.02513	0.2
119.05020	100.0
120.05370	1.0
121.02990	0.2
123.04534	0.2
125.02436	0.7
129.01878	0.2
135.04527	0.2
153.01929	0.2
161.02443	0.7
163.04012	77.3
164.04259	0.5
185.26367	0.1
270.77518	0.2
325.09338	10.7
340.19385	0.2
354.14380	0.2
701.79950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47254	0.6
54.26704	0.8
59.01393	6.5
61.59391	0.7
61.98841	0.8
69.57788	0.9
71.01386	1.9
76.10512	0.8
79.62205	0.8
85.02973	2.0
99.04546	0.9
123.70483	0.9
131.33368	1.1
135.08218	1.4
149.06079	14.9
150.06871	98.8
151.07632	1.2
162.06839	4.1
163.07660	53.2
164.08463	8.5
168.84891	0.9
176.08459	1.3
177.09218	5.1
178.10005	10.5
179.10799	22.8
209.11844	2.0
322.47845	0.9
464.35147	26.4
477.35925	1.2
478.30179	1.9
478.36703	38.0
479.37509	100.0
480.38187	1.4
521.38629	13.6
558.77155	1.1
623.41583	7.4
683.43976	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	729.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.88262	0.4
63.18248	0.4
71.05032	0.4
81.03460	0.5
87.00851	0.5
92.10736	1.0
93.03438	0.5
97.91676	0.5
99.00848	0.6
99.72462	0.5
107.97840	0.5
108.02171	0.9
109.02953	25.1
120.70990	0.4
121.02950	1.3
123.04520	0.8
125.02447	0.5
131.05037	0.6
135.04521	6.2
137.02428	0.8
143.04984	0.5
145.02939	0.6
147.04443	0.5
153.01959	1.1
159.04518	5.0
160.05177	0.5
161.02440	3.2
171.04446	1.2
172.05264	0.9
173.06013	2.1
181.12320	1.2
183.04494	1.1
185.06094	3.5
187.04092	0.5
195.04582	2.0
196.05354	1.0
197.06061	6.4
198.06473	0.6
199.03990	3.9
199.07562	0.7
201.05583	4.3
203.03436	0.8
207.10222	2.3
209.06093	0.9
211.03981	2.2
212.04800	1.0
213.05611	9.7
214.06271	0.7
217.05150	0.6
223.04100	0.9
224.04768	3.2
225.05569	3.9
225.11340	2.7
227.03503	2.0
228.04256	1.1
229.05064	4.7
239.03514	1.1
240.04356	5.2
241.05080	35.0
242.05830	3.8
243.06612	19.6
243.12321	5.4
253.05063	5.1
255.06535	2.0
262.06247	0.6
263.07007	0.8
264.04440	0.6
265.05133	3.8
266.05826	0.7
267.06488	1.0
276.07755	0.6
278.05972	1.0
279.06665	3.3
281.08008	1.0
283.06360	0.6
287.07397	1.0
289.08450	1.1
291.06638	3.4
292.07416	0.8
293.08328	0.5
295.09833	0.7
303.06894	0.7
304.07416	0.8
305.08206	3.2
307.09735	3.5
315.06631	2.2
317.07880	0.7
318.05380	0.7
319.06201	0.9
321.07874	0.8
323.90970	0.5
329.08545	0.7
331.06250	0.8
331.09875	2.1
332.06876	0.8
333.07697	4.7
345.07919	0.9
347.09302	1.2
349.07056	1.2
357.07886	5.5
361.07159	2.5
362.07904	2.2
363.08722	3.8
371.15253	0.7
375.08813	19.4
401.10455	0.9
447.22852	0.5
467.11194	1.0
485.12482	100.0
486.12930	0.9
729.18256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98774	2.5
54.82350	2.1
58.39432	2.2
59.01380	42.6
59.01641	2.1
67.62090	2.1
69.38321	2.1
71.01389	10.7
71.05026	2.7
85.02985	3.3
89.02444	2.6
97.02945	9.4
101.02470	9.9
109.06599	43.3
109.07254	2.9
113.02460	3.2
121.06579	2.7
135.08159	4.5
145.44127	2.4
163.11327	32.7
167.71078	2.2
179.10826	3.3
181.12405	3.4
195.13930	4.0
205.12343	5.3
207.10283	100.0
223.13402	55.6
225.11353	51.4
253.09386	5.0
338.90448	2.7
395.22485	4.5
413.23349	14.1
421.64944	2.8
431.24298	3.9
453.41119	3.5
461.20322	13.6
649.32587	39.5
667.33337	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02973	1.4
54.38689	1.3
59.01390	23.9
60.57204	1.5
71.01405	2.1
78.95905	2.5
89.02469	1.6
98.48422	1.5
124.40078	1.7
125.84303	1.5
136.52737	1.8
146.86728	1.5
152.99612	2.0
171.10284	100.0
253.09409	3.2
255.23293	2.7
277.21738	57.2
407.19482	2.7
435.74173	2.0
441.83246	2.1
445.07159	1.6
460.20004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71467	1.7
52.36607	1.6
57.03446	2.6
59.01385	100.0
59.55811	1.6
71.01379	26.1
73.02945	20.7
79.20678	1.7
83.01398	4.3
85.02961	9.6
87.00871	2.7
89.02466	7.1
100.07516	1.9
101.02448	21.3
106.99219	1.8
109.02970	2.5
113.02471	14.3
122.57903	1.9
133.02977	2.8
153.01982	3.8
161.02408	7.1
161.04604	3.5
207.10374	2.8
225.11345	3.7
269.05429	2.0
371.09235	2.2
517.29889	2.3
535.31744	3.8
621.40356	21.0
639.41425	4.8
729.74939	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25360	7.6
55.50897	6.6
58.33895	7.3
59.01396	65.2
60.78292	8.2
71.01406	12.0
76.35126	10.2
80.69132	7.6
81.60638	9.7
85.02991	12.3
89.02496	8.8
109.03000	9.2
121.60950	10.3
123.50436	7.9
127.83471	8.2
150.06868	68.6
156.47488	8.9
163.07697	44.1
179.10768	10.6
200.83823	9.3
293.21246	100.0
397.13425	43.9
415.14474	39.5
464.35193	17.8
478.36823	12.5
479.37668	72.0
495.59705	9.8
623.41858	17.8
683.43408	15.6
727.32922	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56105	0.4
57.03442	0.6
59.01384	16.4
64.34428	0.4
65.23965	0.4
65.31162	0.4
69.03461	2.2
71.01392	2.4
71.05074	0.4
73.28049	0.4
78.95910	0.7
83.47783	0.4
89.02447	2.1
93.03429	0.6
94.62520	0.4
97.31615	0.5
101.01560	0.4
101.02447	2.2
109.06564	0.7
113.02456	1.7
116.76862	0.4
118.26765	0.3
119.03465	0.6
127.80607	0.3
144.25128	0.4
145.99380	0.4
149.09700	1.0
161.04630	0.8
167.10759	3.8
168.80994	0.4
177.12839	1.0
179.10791	1.0
179.14417	4.2
195.13908	14.2
197.11897	2.0
205.12355	12.9
205.14268	0.6
223.13416	100.0
224.13770	0.8
235.08272	2.5
253.09335	4.4
256.47769	0.4
309.20972	0.5
394.22708	0.5
411.25226	0.6
423.70364	0.4
441.21710	3.2
446.72388	0.4
459.22430	14.8
621.35071	0.5
647.34595	2.1
665.35999	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62009	0.6
57.84104	0.7
59.01385	7.5
65.42148	0.6
69.63318	0.7
71.01389	5.4
78.95918	4.6
78.97052	0.7
83.91205	0.8
85.03022	0.8
89.02458	4.4
97.06576	3.3
99.32102	0.7
101.02475	1.9
113.02444	1.5
122.69617	0.7
123.83657	0.7
151.11287	13.8
152.99600	3.9
154.63429	0.9
169.12343	100.0
170.12703	1.1
184.82005	0.8
195.10220	1.2
195.13925	3.7
213.11392	9.0
221.20169	0.9
253.09254	2.9
293.21295	10.7
369.95801	0.9
433.78809	0.9
449.20328	4.9
464.25433	1.0
725.41339	64.8
726.41895	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	725.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82479	0.3
55.01878	0.3
57.03459	5.1
59.01391	0.4
72.99305	8.7
73.02953	1.4
75.11792	0.3
81.83337	0.3
85.02947	26.4
89.01191	0.3
93.03458	0.4
101.02444	3.6
103.04023	1.9
111.00851	0.4
117.03451	2.7
119.05020	43.9
121.02984	0.6
125.02411	0.3
129.01932	15.8
135.04530	0.4
145.03003	0.3
147.03001	100.0
148.42390	0.3
149.02478	0.5
161.02429	1.6
163.04012	38.4
168.90244	0.3
191.03574	0.4
211.07663	0.4
239.07298	0.4
268.03732	0.3
269.04712	0.3
281.04654	0.6
283.06134	13.2
292.89310	0.3
293.06909	3.5
311.05646	19.9
323.05673	0.5
341.06732	1.4
368.47586	0.4
431.09888	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	725.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79539	0.7
59.01390	3.5
62.47501	0.7
68.37239	0.6
69.02324	0.9
85.02949	1.8
88.98833	0.8
122.06111	6.9
152.90213	0.9
159.05661	1.1
160.06447	20.5
161.07227	9.6
162.36772	0.7
171.09253	1.0
172.06439	1.8
173.07202	5.0
184.06274	1.0
187.08783	3.4
188.09563	3.7
189.10335	15.6
192.05498	1.2
213.10333	4.0
215.08337	9.4
216.96083	0.9
220.08568	1.0
267.10217	4.0
282.12527	26.1
294.12479	11.3
295.13315	1.9
310.15674	18.6
315.67938	0.9
336.13559	16.8
336.17163	1.5
351.30795	0.9
354.14658	100.0
355.14960	1.3
362.15100	4.7
380.16299	1.4
398.17215	36.5
399.76645	0.8
405.15778	1.9
406.13995	5.9
408.71509	1.0
535.21826	4.3
635.27325	47.0
702.15430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
71.01402	3.3
73.99184	0.6
78.95908	1.2
80.02668	0.9
81.03465	1.2
83.05042	3.6
84.02212	1.1
89.02462	3.2
90.82701	0.6
95.05068	0.8
101.02452	3.3
113.02453	0.7
114.39044	0.8
137.79514	0.9
140.75117	0.6
152.99559	1.4
157.36102	0.8
163.11288	4.9
165.12790	1.2
191.10956	0.8
209.11852	100.0
227.12935	7.5
235.08171	1.0
253.09344	5.2
277.21741	45.1
277.24741	1.5
315.18088	0.8
431.20209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73010	1.8
57.03463	9.3
58.57788	1.6
59.01391	2.1
62.05347	1.9
67.01920	1.8
68.91544	1.8
72.65443	1.8
75.00908	2.8
81.03464	4.0
83.01405	10.2
85.02971	7.7
93.03475	8.0
95.05057	4.6
96.96040	8.5
97.02975	12.0
99.00887	8.6
103.50726	2.0
109.02959	26.6
111.04601	1.9
117.03456	2.7
121.02952	12.6
123.04527	9.6
123.76105	1.7
125.02437	100.0
133.02899	6.3
135.04518	17.9
137.02438	53.4
137.03473	2.5
139.04042	9.3
141.01936	9.9
147.03279	2.0
147.04453	2.9
149.02477	10.3
151.00343	2.1
151.04022	11.3
153.01950	18.6
158.03786	2.0
159.04430	3.7
161.02446	28.3
163.00418	3.5
163.04033	11.0
164.01193	10.8
165.01917	65.0
165.03207	3.0
167.03487	17.3
167.04729	2.2
173.06171	2.2
175.04044	10.7
176.01198	9.9
177.01866	13.6
179.03496	10.0
181.05074	14.1
183.02989	97.1
187.04070	4.7
189.01978	4.3
191.04021	2.0
191.05666	22.5
193.01437	3.4
195.02986	8.6
201.05589	3.3
203.03442	3.3
203.07109	4.3
205.01465	9.2
205.05125	6.8
217.01433	3.0
219.03110	3.4
221.08211	2.3
222.01744	3.0
229.05132	3.1
243.03040	2.2
245.04524	7.1
245.08266	4.6
255.05244	8.0
269.04477	3.0
273.06189	35.5
285.03781	2.9
287.05618	7.4
289.07227	18.8
299.05667	3.2
311.05612	9.5
329.06781	2.7
339.81302	2.0
341.06686	8.1
343.10226	4.4
345.06085	21.0
383.07852	3.0
390.66736	2.1
393.08383	4.5
407.07538	3.4
425.08676	2.3
431.09866	10.8
435.09344	15.2
451.10226	10.9
465.07950	2.6
573.12793	8.4
635.14410	3.4
640.66364	2.2
725.17810	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	723.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81205	1.3
55.01917	1.6
57.03448	2.5
59.01385	100.0
63.87685	1.3
71.01376	28.6
73.02952	20.1
73.50587	1.5
75.00890	2.0
78.95923	1.7
83.01399	6.2
85.02960	11.9
89.02447	12.9
91.29098	1.4
92.65543	1.5
94.61211	1.4
95.01375	2.3
99.00906	1.5
101.02447	27.2
104.78033	1.4
113.02469	12.6
119.03519	3.5
125.02466	2.6
133.02963	2.1
153.01947	2.7
161.02515	3.5
161.04520	1.8
203.39319	1.8
294.27551	1.7
297.42023	1.7
457.33261	2.4
475.34360	9.7
619.38611	57.3
637.39941	19.5
652.09412	1.8
679.41156	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	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62196	0.9
59.01388	8.1
60.75719	0.9
66.29937	1.0
66.71947	0.9
69.89759	1.1
69.90970	1.0
71.01409	2.0
75.81303	1.0
78.95911	2.3
81.03478	1.3
83.05031	1.9
89.02448	1.7
101.02419	2.1
109.13050	1.2
152.99591	2.3
163.11227	1.8
165.30286	1.2
209.11853	66.7
227.12962	4.8
235.08200	4.7
253.09245	5.4
277.21756	100.0
352.49539	1.2
512.33160	1.2
585.95325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67808	0.9
59.01383	13.7
60.83092	0.9
61.90193	1.1
71.01373	9.8
71.15763	1.0
72.99303	4.0
73.02956	1.0
74.54841	0.9
76.02325	1.0
77.96753	0.9
80.98188	1.1
81.03449	4.1
83.01411	1.6
83.05030	1.2
85.02955	17.2
86.92322	0.9
87.00876	10.4
89.02454	1.0
89.78040	1.0
99.00911	1.4
101.02427	9.0
103.00384	1.8
107.01372	1.6
109.02958	40.7
111.00915	11.0
112.98822	4.5
113.02419	1.9
115.00388	14.5
119.05024	65.3
123.00880	4.5
123.04533	2.4
124.01617	1.7
125.02441	5.0
126.58971	0.9
129.01945	23.5
133.01433	24.3
133.02939	8.8
135.04529	10.5
137.02449	1.9
149.00919	22.3
149.02135	1.6
149.06053	1.4
151.00339	8.5
151.04034	1.0
152.01166	17.5
153.01952	64.2
159.04515	2.0
161.02469	1.4
163.04018	88.6
165.01913	1.2
166.92888	1.1
167.03493	1.0
175.03951	1.1
177.02002	3.6
177.04173	3.0
177.05457	7.8
179.03497	5.8
194.02217	5.9
195.03009	62.8
221.04607	2.0
224.03294	2.4
225.04059	1.8
254.04329	5.2
255.05133	55.9
263.05667	7.2
295.04611	20.1
297.05963	2.5
315.07379	1.7
323.07822	5.5
383.09842	4.7
427.08896	100.0
428.09268	1.7
475.86990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68893	1.6
55.01887	2.6
57.03451	2.1
58.23732	1.9
59.01384	100.0
61.98840	2.0
71.01372	22.0
73.02956	9.4
79.51704	2.3
83.01417	3.5
85.02967	11.9
89.02444	4.2
92.10132	7.1
97.02959	2.1
99.00895	3.0
101.02441	23.5
109.01414	2.1
109.02845	2.1
111.29932	2.4
113.02454	12.4
118.06391	2.0
135.60184	2.3
136.25471	2.3
174.86676	2.1
197.61443	2.1
199.36334	2.5
221.15689	2.8
236.10712	2.8
275.04184	2.2
297.29883	2.6
420.19162	2.2
439.32327	8.2
471.35773	4.0
483.41376	2.8
515.34027	2.8
615.38922	17.9
633.40057	44.3
675.41229	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
51.35042	2.4
57.68329	2.4
59.01397	17.4
69.97198	2.8
71.01411	5.3
74.50452	2.9
78.95920	4.5
79.90047	2.6
80.96545	13.9
81.03529	2.5
84.85409	2.7
89.02447	4.0
97.02959	5.2
101.02462	5.4
101.36149	2.6
109.06595	32.5
118.02650	2.4
135.08141	4.0
161.09709	3.1
163.11305	21.6
164.98721	2.9
181.12398	5.1
207.10284	100.0
217.19113	2.9
225.11386	33.6
226.66910	2.9
244.69263	2.8
253.09383	4.3
277.21741	76.1
428.31064	3.3
443.19373	3.9
461.20517	4.8
641.41943	3.2
721.41016	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	721.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.4
57.03463	1.9
59.01385	100.0
71.01372	13.0
73.02953	6.1
74.71275	1.6
76.57636	1.5
78.95897	2.2
81.13853	1.5
83.01401	2.6
85.02969	10.5
101.02468	9.8
109.02958	2.7
113.02480	3.4
122.84599	1.5
125.02510	5.3
133.02989	2.0
137.02425	2.1
142.49605	1.5
151.04039	2.1
153.01901	3.5
161.02475	6.6
177.02025	3.0
178.02458	1.4
179.03442	1.8
359.29514	3.6
391.28412	2.0
410.33084	1.6
433.43411	1.8
503.34039	11.3
535.32526	12.5
588.10736	2.6
595.35040	2.0
635.41602	7.7
745.72174	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	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19808	0.3
57.27121	0.3
59.01392	12.0
71.01389	8.1
76.57388	0.3
83.01323	0.3
85.02958	0.5
85.04311	0.3
89.02442	16.3
92.10181	0.4
94.39561	0.3
101.02449	4.3
113.02447	4.0
119.03496	6.4
131.03461	0.8
143.03508	0.8
161.04570	0.6
172.00798	0.3
178.34137	0.4
179.05603	5.4
193.06325	0.4
195.69482	0.3
211.39915	0.3
215.03337	4.1
316.10535	0.3
341.10901	26.2
346.24292	0.4
377.08606	100.0
378.08966	1.5
580.45410	0.4
748.14001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77778	0.9
55.01897	1.7
57.03456	2.3
59.01381	53.7
69.03470	1.5
71.01379	35.9
73.02937	22.5
83.01399	11.8
85.02942	17.0
87.00871	2.4
87.04560	4.5
89.02438	12.6
89.06088	5.6
95.01386	4.6
96.95992	12.7
97.02943	2.0
98.10698	0.9
99.00901	5.1
101.02432	40.4
109.02975	1.2
111.18365	1.0
113.02455	24.2
119.03527	2.6
121.02955	6.9
125.02460	6.9
135.04543	1.9
143.03535	5.8
153.01939	2.0
154.27477	1.2
159.03047	1.5
161.02428	1.7
161.04559	13.7
179.10783	6.8
195.02972	1.4
223.09782	2.3
237.07736	7.1
251.11391	28.3
257.08322	2.6
275.27490	1.1
277.55206	1.3
293.12515	2.3
395.15671	10.1
413.16702	25.6
455.17773	100.0
456.18387	1.3
585.18073	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	719.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77618	1.4
54.82016	1.2
55.01896	1.8
57.03466	3.5
59.01381	32.8
61.98841	7.4
69.03458	6.1
71.01379	17.2
71.05044	2.0
73.02965	3.0
73.32250	1.4
78.95939	1.2
83.01399	5.6
83.05051	6.3
85.02966	8.1
87.00897	1.7
89.02452	7.2
95.01407	2.3
97.02946	1.7
99.00851	1.7
101.02422	13.4
109.02942	1.6
113.02457	8.5
121.02934	3.1
123.08219	2.0
125.02441	5.6
125.09756	2.3
131.00751	1.4
133.02946	2.2
134.03703	5.4
135.04549	3.5
151.11298	2.9
153.01976	2.3
161.02441	3.1
161.09726	6.6
163.11330	4.9
171.10249	1.6
179.03674	1.8
179.10796	10.9
197.11858	100.0
209.11870	81.3
221.08264	8.4
227.12930	6.6
241.10959	1.4
253.09328	3.2
543.17273	6.7
590.44208	1.8
633.40295	2.3
675.41583	6.2
687.32458	83.5
719.34949	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.2
59.01391	1.0
87.80930	0.2
91.15712	0.2
92.10627	0.7
96.95969	0.3
107.05032	0.3
113.34444	0.2
133.02983	0.3
134.03748	1.0
135.04526	70.3
136.04842	0.4
140.12448	0.2
140.42871	0.3
161.02454	3.4
177.05618	0.2
179.03505	100.0
180.03877	1.3
203.03506	0.9
221.04636	0.3
333.97995	0.2
341.08817	33.4
342.09164	0.5
357.54193	0.3
360.98080	0.2
377.62677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	16.3
59.01369	8.6
69.11171	2.7
71.01405	3.7
74.56498	2.3
81.03497	2.6
83.01399	9.8
85.02921	3.2
93.03442	2.5
113.02478	4.1
119.05019	35.8
123.04536	23.4
125.02445	100.0
137.02463	5.2
145.03035	3.0
151.00362	13.2
153.01971	5.5
161.02472	5.6
165.01953	3.3
167.03519	38.0
170.66812	2.6
175.04021	6.1
177.01846	3.6
187.04030	4.8
199.03972	4.9
201.01991	6.2
203.07062	3.5
209.11884	5.2
217.05099	3.3
239.03452	3.0
241.05190	5.3
243.02954	16.6
267.03009	10.1
269.00928	31.4
283.02539	4.8
285.04117	4.6
311.02029	11.8
333.04077	4.8
387.09036	3.5
389.06754	41.2
431.07471	6.2
471.10751	12.0
557.10712	23.8
719.15955	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87063	0.7
70.59712	0.9
71.45016	0.7
79.92361	0.7
91.54402	0.8
96.96017	0.9
125.02363	1.1
135.04526	79.2
136.04929	1.0
146.80527	0.9
160.04187	1.0
163.50337	0.8
179.03496	100.0
195.05112	3.1
341.08786	30.4
349.96875	0.9
408.04559	1.0
601.43817	1.1
634.96924	0.9
723.75049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54222	0.2
52.16543	0.2
59.01389	2.2
61.98835	100.0
67.84839	0.2
71.01381	1.2
72.08323	0.2
79.78000	0.2
79.85519	0.2
85.02936	0.3
87.92271	0.3
89.02444	1.6
101.02455	1.1
102.02778	0.2
107.76652	0.3
113.02492	0.4
255.23302	2.0
256.23581	1.9
257.23923	1.2
258.24268	0.3
287.95093	0.3
397.13547	1.3
398.13864	2.0
399.13992	2.0
400.14340	0.6
416.15009	0.5
417.15109	0.4
426.55136	0.3
488.95947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93296	0.1
59.01386	2.3
61.01810	0.1
61.76503	0.1
61.83503	0.1
61.98834	100.0
62.04016	0.1
71.01392	1.3
72.01706	0.2
73.02935	0.1
83.01346	0.1
85.02970	0.2
87.00877	0.2
89.02438	1.2
90.96181	0.1
91.02853	0.1
101.02428	1.0
102.02786	0.2
104.64503	0.1
113.02446	0.3
114.02721	0.1
125.02436	0.3
127.13721	0.1
235.08276	0.2
255.23361	2.6
256.23660	2.2
257.24097	1.1
258.24210	0.2
397.13385	0.8
398.13956	1.1
399.14072	1.9
400.14200	0.8
415.14749	0.2
416.14645	0.2
417.15128	0.5
418.15549	0.2
456.01682	0.1
613.68530	0.1
655.38208	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	715.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16999	0.8
59.01381	4.9
61.82868	1.0
63.09628	0.7
69.03451	4.2
71.01382	4.5
71.05001	1.0
75.41419	0.9
78.95885	1.4
89.02438	1.7
101.02459	4.0
107.50497	0.9
113.02457	1.6
116.92847	1.1
125.09744	1.1
151.11270	1.9
152.99684	1.2
161.09698	4.7
169.14427	1.1
179.10779	9.2
197.11844	48.5
241.10780	1.7
253.09328	3.4
255.23315	100.0
316.23639	1.0
409.37393	1.1
537.80389	1.0
610.62372	0.9
644.30963	1.1
715.42847	94.4
716.43011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36385	0.4
50.44195	0.5
50.88977	0.4
59.01382	42.2
61.98833	0.6
71.01393	0.6
71.86717	0.5
72.99298	4.4
101.02515	0.5
110.84044	0.5
113.02489	0.7
113.19473	0.5
119.05019	7.1
133.02948	9.6
134.51227	0.6
135.04517	3.5
135.13672	0.5
147.04530	100.0
148.04912	0.6
161.02448	35.3
165.05569	88.8
166.05934	0.9
177.73921	0.5
179.03485	2.2
207.06656	36.2
208.07117	0.6
376.30637	0.5
391.78534	0.6
464.15707	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	715.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24101	63.4
78.95932	67.6
81.80032	70.7
96.77880	69.3
156.37172	78.8
251.71155	88.0
736.84113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07045	0.4
55.86007	0.4
56.94749	0.4
89.20660	0.4
122.06969	0.4
134.97780	0.4
150.92177	0.5
151.39473	0.4
152.62636	0.4
155.84442	0.5
161.02396	0.6
173.75745	0.5
262.51947	0.5
352.42288	0.6
677.50110	2.9
713.47479	100.0
714.47382	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	715.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09513	1.8
59.01381	26.8
62.67395	2.1
70.32843	2.2
71.01401	10.6
73.02953	2.6
83.01390	2.5
85.03000	2.6
89.02447	8.6
92.10800	2.4
92.66106	2.2
94.94910	2.0
95.05015	2.2
97.02955	9.5
101.02456	10.4
102.74574	2.1
109.06605	33.5
113.02432	3.3
135.08112	2.9
142.02663	2.4
161.04550	2.6
163.11263	20.8
181.12357	8.7
183.13913	8.9
185.11920	3.7
189.09009	2.9
207.10312	84.5
209.11765	3.4
211.13440	100.0
225.11320	33.7
253.09196	4.7
339.23312	2.7
355.22467	2.5
373.23837	7.9
383.22379	15.2
401.23358	27.8
419.24310	4.2
447.22415	3.4
461.20432	3.7
493.36285	2.4
546.06775	2.3
619.31189	9.0
637.32397	59.3
655.33533	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.7
57.03470	0.6
58.00615	1.3
59.01385	43.6
61.98846	1.7
66.73289	0.3
69.03455	2.3
71.01381	28.8
72.99307	2.0
73.02943	5.7
73.03299	0.3
75.00881	0.5
78.00082	0.3
78.95885	0.4
81.03468	1.1
83.01386	4.5
85.02954	8.2
87.00874	6.0
89.02441	28.1
91.04019	0.7
92.10801	0.9
93.36970	0.3
95.01363	2.2
97.02953	5.1
99.00851	2.0
101.02440	22.5
103.04057	0.4
109.02940	0.4
110.65030	0.3
111.00866	0.4
111.04551	1.5
113.02451	11.5
114.38352	0.3
115.03998	0.4
119.03511	7.2
121.02991	0.5
125.02449	8.4
129.02034	0.3
131.03513	1.2
133.05043	0.6
136.57849	0.3
139.04050	0.4
141.01924	0.4
142.54359	0.3
143.03513	3.5
149.04581	0.4
161.04581	4.3
162.02905	0.3
164.73576	0.3
169.05095	0.4
179.05600	3.0
185.04527	0.4
185.67078	0.3
214.13200	0.3
221.06689	1.8
235.08250	8.4
245.06738	0.4
253.09320	0.7
255.23326	100.0
256.23785	0.5
260.36633	0.3
263.07803	0.6
275.32922	0.3
287.07751	2.7
305.08823	2.9
323.09882	0.7
379.12424	0.5
397.13568	79.7
398.13696	1.3
415.14651	22.5
511.84778	0.3
653.37683	6.4
724.68176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08126	1.4
54.82910	1.5
59.01392	58.3
61.98848	9.2
63.43869	1.7
69.03510	1.6
71.01385	28.2
73.02942	3.4
78.47430	1.7
78.95911	2.0
82.19961	1.8
83.01400	2.3
85.02969	8.9
87.00903	7.3
89.02441	45.1
95.01377	3.4
97.02972	4.0
101.02438	29.4
109.02969	2.5
113.02441	15.0
117.82152	1.7
119.03519	7.9
125.02476	9.1
143.03534	2.8
161.04494	1.8
179.05600	2.5
221.06570	2.9
235.08368	4.0
249.91023	1.7
253.21768	27.9
255.23215	1.7
284.69641	1.7
397.13644	33.2
415.14609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82582	18.2
61.11716	16.8
61.98840	25.4
62.64530	16.2
66.04466	18.9
70.73166	16.8
78.95917	43.6
96.95323	19.0
111.52319	19.4
123.15215	18.1
152.99590	100.0
209.11726	28.7
279.23367	72.1
397.13452	39.8
516.71674	20.3
713.35321	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	711.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89275	2.4
59.01391	23.1
60.61681	2.0
61.01975	2.0
69.03464	6.1
71.01388	10.5
73.02969	2.9
76.88459	2.3
81.03479	3.0
82.68785	2.2
84.02154	8.3
85.02946	5.2
89.02443	4.3
90.53220	2.0
101.02438	4.3
109.02940	2.5
113.02422	2.8
119.07323	2.6
125.02416	3.2
135.08182	14.8
141.32802	2.3
179.10785	3.9
184.58939	2.3
189.12830	6.0
197.11853	100.0
241.10915	5.5
336.00925	2.7
477.19952	3.8
511.38654	2.8
534.50800	3.1
651.40820	3.7
667.38239	3.8
693.31097	5.1
711.20898	4.4
711.32318	62.8
711.43561	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	711.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52532	0.3
59.01383	0.9
63.02397	0.4
65.00340	0.6
66.43399	0.3
71.01391	0.7
83.01402	0.6
85.02962	0.6
87.00864	0.5
93.03478	0.5
107.01403	2.2
109.02978	2.4
113.02434	0.7
115.00372	0.8
119.05038	2.3
121.02940	0.8
123.04517	0.4
125.02476	1.6
125.99077	0.4
133.01408	2.5
133.02966	0.7
135.04520	2.4
137.02426	0.6
137.82967	0.4
149.00938	0.8
149.02422	0.7
151.00349	6.0
153.01962	0.6
158.06134	1.6
159.04692	0.4
161.02451	2.3
163.00400	0.8
163.04047	4.3
171.04579	0.8
174.05655	0.5
175.00414	0.6
175.03929	0.5
177.02020	0.6
178.99907	1.5
179.03488	1.9
187.03990	0.6
191.05655	0.4
193.05060	0.5
199.04031	4.6
201.02002	0.6
202.05064	0.7
215.03497	2.0
227.03532	3.4
243.03018	5.5
254.02322	0.5
255.02823	2.6
261.48441	0.4
271.02499	60.8
272.02972	0.7
285.03799	0.7
299.01996	100.0
300.02722	10.8
301.03568	28.8
313.03543	0.5
462.08096	14.2
463.08850	4.8
505.09988	7.3
625.14417	1.4
667.15247	48.1
668.15747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24776	1.2
57.03454	1.9
59.01387	5.9
71.01374	3.0
73.02914	1.3
78.95911	5.0
87.00900	1.7
89.02449	2.2
92.10835	3.0
97.06587	7.4
98.31657	1.2
101.02443	7.1
113.02461	2.1
151.11314	18.8
152.99632	2.7
161.04556	1.5
169.12340	69.5
180.00500	1.4
213.11311	8.1
225.11449	1.6
253.09277	1.7
255.23286	8.0
277.21762	83.2
292.19977	1.4
309.54764	1.4
341.77014	1.3
431.19287	1.5
449.20483	1.8
570.95880	1.5
709.41833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29044	0.6
57.03443	0.6
59.01389	6.8
63.12683	0.5
67.05505	0.8
67.57116	0.6
71.01395	3.7
74.57725	0.6
78.95919	3.2
85.02986	0.8
87.00883	0.9
89.02448	2.9
92.43228	0.6
97.06596	1.3
101.02457	3.6
108.98770	0.7
113.02489	0.7
124.31679	0.7
151.11313	12.1
152.99626	1.1
161.04570	0.8
169.12347	100.0
170.12778	0.7
195.10301	1.0
213.11359	10.8
253.09267	3.2
255.23219	4.0
277.21750	23.7
316.91638	0.7
431.19327	0.8
449.20325	6.0
614.40308	0.8
691.38257	1.1
709.41791	76.1
710.42017	1.3
730.88629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04168	2.7
58.00589	2.9
59.01394	63.6
61.98857	5.2
66.25076	2.3
71.01392	27.8
71.77425	2.3
72.99304	2.9
78.95927	5.3
85.02971	5.2
89.02429	29.0
101.02462	21.9
105.62464	2.9
111.08161	13.9
113.02463	10.6
117.47372	2.6
119.03477	4.0
125.02440	5.5
152.99606	3.4
160.01776	2.7
161.04504	3.9
195.13829	3.6
207.10225	3.3
235.08292	2.8
270.47531	2.4
291.19699	100.0
397.13519	15.0
415.14514	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	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82685	1.4
55.01885	1.4
57.03460	2.2
58.00602	2.4
59.01385	50.4
61.98833	5.7
64.34347	1.4
69.03476	1.6
71.01384	29.2
72.99302	1.6
73.02940	3.1
74.34097	1.4
78.95905	2.1
80.98486	1.3
83.01384	2.5
85.02962	7.4
87.00877	3.3
89.02433	22.3
97.02966	1.4
97.42937	1.3
101.02464	17.4
109.02987	1.7
111.08172	13.4
112.95548	1.3
113.02454	7.7
117.20156	1.3
119.03506	6.3
120.17255	1.4
125.02483	6.0
143.03519	2.5
152.99591	1.4
161.04588	2.9
167.10829	2.6
179.05702	2.1
195.13872	9.6
235.08290	6.9
247.20676	2.7
253.09210	1.4
291.19727	100.0
397.13544	17.3
415.14908	14.3
422.69519	1.5
448.42200	1.4
505.53577	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	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03428	2.6
59.01380	46.8
65.00345	2.6
71.01382	25.4
73.02937	5.0
80.96529	12.8
85.02943	3.3
87.00890	5.1
88.98805	3.8
89.02454	19.5
92.36991	2.7
97.36335	3.1
101.02428	23.0
105.52572	2.9
109.02941	4.1
113.02456	6.0
125.02487	6.8
133.02939	6.6
134.42914	3.4
135.04514	6.8
137.02452	3.3
161.02481	6.0
181.12427	5.6
197.11823	30.2
209.11938	6.6
252.74052	3.3
253.09415	4.6
291.19681	30.9
309.20782	100.0
397.13699	15.6
415.14746	21.3
535.35291	3.6
606.53900	3.4
608.11139	3.6
707.31085	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	705.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
62.62602	0.3
71.01373	3.3
71.05011	0.6
73.02936	0.9
78.95908	0.5
80.02692	1.5
81.03461	0.9
83.01402	0.7
83.05028	4.9
84.02170	1.5
85.02966	1.8
87.00861	0.4
88.66247	0.4
89.02448	2.1
95.04985	0.5
95.70920	0.4
97.02955	0.4
101.02425	3.5
109.02945	1.0
113.02489	1.5
121.02989	0.5
123.04494	0.5
125.06115	0.5
125.09708	0.6
133.02991	0.7
135.04602	0.4
135.08141	0.8
153.01933	0.9
161.02472	0.8
161.04541	0.8
163.11267	5.0
165.12881	3.1
171.10248	0.7
191.10846	0.7
195.02936	0.7
209.11858	100.0
221.08218	0.7
227.12938	9.8
235.08188	0.7
235.63141	0.5
236.85635	0.4
253.09355	4.2
255.05049	0.4
265.20209	0.5
407.47122	0.5
445.20834	0.8
618.48047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38219	0.1
59.01387	1.1
59.26251	0.1
67.01894	0.3
69.87462	0.1
71.01381	0.6
73.02890	0.2
83.05017	0.3
83.06905	0.2
85.02944	7.1
87.00876	1.6
93.03449	3.7
95.05074	0.2
96.96017	0.4
109.02966	1.1
111.04523	1.3
116.23922	0.2
123.04504	0.3
124.56666	0.2
125.02428	0.6
127.04001	2.1
133.02940	1.7
135.04517	2.1
137.02441	0.3
143.28323	0.2
161.02475	2.2
164.47536	0.2
167.03494	0.3
171.03036	0.2
173.04485	1.9
177.01956	0.2
179.03436	1.3
181.19450	0.2
191.05623	100.0
192.05931	0.7
209.04581	0.7
219.05145	0.2
220.70193	0.2
255.05133	0.7
329.08789	0.2
353.08835	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	705.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.7
57.03459	1.0
59.01380	7.8
59.01643	0.3
71.01381	4.6
71.05024	4.4
73.02966	0.7
78.95892	0.5
83.05038	0.7
85.02982	0.9
87.00900	0.9
89.02438	3.3
91.97311	0.4
95.05051	1.5
96.96009	0.6
97.02940	5.3
97.06576	4.3
99.00874	37.7
101.02425	4.7
109.02972	0.8
109.06612	0.9
110.03767	0.9
113.02457	2.0
119.03494	0.4
119.04996	0.4
123.08182	2.9
125.09718	11.7
133.02968	1.5
135.08168	0.5
142.02733	1.7
145.10245	0.4
148.54088	0.4
153.01965	2.0
155.14439	0.8
161.02492	0.6
161.09702	0.5
163.11290	11.2
171.10219	0.4
179.10803	0.7
181.12370	20.7
197.11821	4.5
199.13425	11.6
199.15239	0.5
207.10292	51.7
209.11899	3.6
225.11360	77.8
227.12962	1.8
243.12389	56.1
253.09311	1.7
317.16080	2.0
461.20282	1.6
479.21423	9.2
498.54901	0.5
543.27960	0.7
687.32452	4.7
705.33502	100.0
706.33557	2.8
727.29938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15385	0.1
58.42203	0.1
59.01405	0.2
71.01386	0.2
75.07669	0.1
79.95751	2.6
85.02946	0.2
87.00877	0.2
93.32841	0.1
96.96016	100.0
98.95634	0.3
101.02401	0.2
109.02963	1.9
113.02451	0.6
116.92882	0.8
133.02954	1.1
135.04552	1.2
142.00227	0.2
146.48988	0.1
152.01126	0.6
153.01953	3.6
161.02458	3.7
175.03998	0.3
177.05544	0.2
179.03517	0.7
182.94650	0.2
195.03024	2.7
203.03564	1.5
225.04037	0.2
230.77394	0.2
248.53302	0.2
255.05060	0.8
297.06229	0.4
346.19830	0.2
417.08362	0.2
477.10617	2.4
575.14069	2.5
576.61060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53228	7.0
59.01140	7.3
59.01398	60.0
61.98841	11.5
71.01419	10.5
75.30049	7.2
76.57296	8.3
77.16493	8.1
77.79140	8.2
78.95931	21.5
83.10355	8.3
85.02991	13.6
92.02233	9.6
101.02428	12.2
141.79895	8.9
141.96060	11.9
165.89209	9.5
204.46320	10.2
209.11823	100.0
223.13486	62.7
227.12933	38.8
276.90625	9.5
294.08957	9.2
298.19617	9.3
298.69247	11.5
674.43176	11.2
705.31738	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
59.01384	19.0
59.37255	1.0
61.98849	1.4
71.01392	16.5
71.05023	2.0
73.02972	1.3
79.88290	1.3
82.85500	1.1
83.01414	1.2
85.02968	5.4
87.00918	1.2
89.02421	9.0
96.96028	2.8
101.02461	8.5
108.02182	1.1
109.02953	25.1
111.00928	1.6
113.02473	6.6
119.03502	2.0
121.02967	2.1
123.00905	1.4
124.01729	1.2
132.47945	1.1
133.02962	38.6
134.03758	5.0
135.04553	20.6
137.02483	1.2
152.01154	6.8
153.01949	42.2
154.02234	1.3
161.02454	100.0
162.02783	1.3
175.04034	2.6
179.03485	13.4
195.03032	23.0
203.03545	7.6
209.11826	2.4
221.08269	8.2
222.08618	1.7
239.63339	1.3
240.76546	1.1
255.05168	9.5
297.06311	1.5
396.16016	1.3
406.15201	11.8
417.08386	1.5
525.16217	1.8
542.16748	11.2
568.18439	15.5
639.20294	1.5
660.20905	2.3
704.20020	58.4
705.19659	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	703.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48860	0.3
55.01894	0.4
56.59911	0.3
59.01385	5.0
63.05593	0.3
71.01395	1.9
73.02956	0.4
75.83749	0.3
78.95905	0.8
80.02689	1.4
81.03430	0.6
83.05025	5.5
84.02170	1.5
85.02962	1.3
87.11855	0.3
89.02440	2.5
91.97316	0.3
95.05016	0.6
97.06602	0.4
101.02433	3.2
105.15961	0.3
109.02966	2.3
113.02460	2.1
125.02435	0.6
125.06122	0.3
133.02965	1.9
135.04536	0.6
135.08179	0.3
137.02400	0.4
152.01131	0.6
153.01949	4.2
153.12865	1.2
161.02444	2.7
161.04604	0.8
161.06117	0.4
161.92070	0.4
163.11270	4.2
165.01994	0.4
165.12863	3.0
169.09520	0.4
169.12329	4.0
179.03473	0.5
181.12294	0.5
191.10838	0.7
195.03001	1.4
197.11841	52.3
203.03629	0.4
209.11852	100.0
210.12201	0.8
227.12907	10.0
235.08327	1.4
253.09293	8.0
255.23376	0.4
406.89359	0.4
406.94684	0.3
416.07504	0.7
433.20715	2.2
445.20953	2.8
473.97653	0.4
476.09805	3.3
482.70718	0.4
573.16559	0.4
574.13239	0.6
607.31378	1.5
697.13940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40085	18.3
58.40243	20.2
59.01376	24.7
59.29661	22.8
66.56828	20.0
78.95918	26.2
92.10801	45.2
101.66424	24.0
108.24855	24.2
109.06578	32.3
140.27028	22.1
152.99565	22.0
174.57771	21.2
223.13295	38.4
225.11481	25.3
234.23470	27.6
234.95288	23.3
304.58716	21.2
649.32098	52.0
667.32953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13028	0.4
54.82169	0.5
55.01882	5.1
57.03453	3.1
58.00605	0.7
58.20987	0.5
59.01382	82.6
59.37728	0.5
69.03461	3.4
71.01378	65.0
71.05016	28.2
72.99341	2.1
73.02942	20.0
75.00887	0.8
76.78712	0.6
78.95892	0.7
81.03450	1.2
83.01383	15.5
85.02950	23.7
85.03457	1.0
87.00868	6.2
87.04523	2.8
89.02443	13.5
89.06068	6.7
93.03446	1.3
95.01386	5.9
96.96013	1.4
97.02946	7.1
99.00879	5.7
101.02438	26.6
101.03097	1.1
101.32915	0.6
107.05061	3.7
109.02940	4.8
111.00888	1.0
112.01672	2.2
113.02455	22.3
115.03993	0.9
119.03489	3.0
121.02945	28.4
124.01684	1.1
125.02451	8.1
127.03999	0.7
129.01996	0.7
133.02965	3.1
134.03737	39.9
135.04503	3.9
137.05980	0.6
139.03984	0.7
142.02702	1.3
143.03532	6.1
143.12428	0.5
147.00917	4.8
147.08179	0.7
149.02438	0.6
149.09740	6.0
151.04062	0.8
152.01122	1.0
153.01958	6.1
161.02432	8.2
161.04547	6.6
165.01938	5.5
175.03970	0.7
177.05420	0.7
177.09210	8.4
179.03548	0.8
185.08247	1.3
189.01933	0.6
195.02997	3.2
197.11859	1.4
203.03694	0.9
203.05550	1.0
209.11896	2.3
215.09357	0.8
221.08215	100.0
225.11356	0.9
227.11342	0.6
233.10315	1.2
237.07706	6.9
241.10516	0.7
251.11345	3.2
255.05058	0.8
291.08795	0.8
293.12430	2.6
317.12503	2.4
347.13608	0.8
369.53873	0.6
377.14539	3.8
381.11948	26.7
391.12076	0.6
395.15619	26.9
402.95828	0.6
423.13022	2.9
437.16727	2.8
462.81720	0.6
476.10022	0.9
525.16235	10.6
543.17310	29.2
585.18420	22.3
585.27893	0.8
590.76837	0.7
617.24951	2.3
685.30896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37609	1.0
59.01392	11.1
63.14022	0.9
71.01396	9.4
73.02960	2.3
78.95855	0.9
83.01399	2.2
84.38715	0.9
85.02966	4.8
87.00873	1.1
94.03891	1.1
95.01431	1.1
96.96014	7.2
100.82327	0.9
101.02456	6.9
108.02200	4.7
109.02962	72.9
111.00883	6.0
113.02477	5.2
114.62528	1.0
116.92820	1.2
121.03001	1.0
123.00909	1.3
123.04533	2.0
124.01607	3.6
125.02438	1.6
133.02928	2.2
134.03732	1.1
135.04520	1.0
137.02429	1.8
139.04079	1.1
146.03743	1.2
149.02443	1.4
151.00336	1.1
151.04018	2.4
152.01167	25.1
153.01947	100.0
159.04518	5.5
161.02435	7.2
163.03984	2.0
165.01926	6.1
172.05301	17.9
173.06065	5.6
175.04036	2.2
183.04541	3.8
185.06102	1.0
186.06796	1.1
187.04048	6.1
187.07663	91.5
189.05580	8.1
191.03545	1.2
195.03014	93.4
199.04010	9.7
200.04839	8.7
201.05576	4.4
201.09138	1.2
202.06337	7.5
204.04300	4.8
211.04025	1.4
211.07652	4.0
213.09261	10.9
215.07178	35.6
225.04056	6.2
227.03487	10.1
228.04268	6.6
229.08675	10.2
231.06680	30.4
231.10225	15.0
237.04071	1.9
245.04559	2.0
255.05099	38.7
257.08228	21.5
273.07758	16.8
275.09308	6.9
297.06241	13.6
299.09225	5.1
317.10333	7.9
422.46280	1.1
469.11487	17.0
495.13107	4.4
513.14099	30.0
529.13409	13.9
555.15552	1.6
573.16260	50.5
671.20020	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41066	20.6
78.95879	85.5
142.87621	23.8
162.88660	23.1
195.12114	26.6
200.20042	27.0
211.13429	31.9
223.13441	100.0
227.98477	23.2
291.19714	29.3
358.50128	29.7
378.58176	28.3
383.98230	25.4
417.54141	28.0
701.32697	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
78.95885	2.1
128.81862	1.7
152.99545	2.2
197.59401	1.6
200.42569	1.6
255.23274	2.5
297.07193	1.7
333.63611	1.8
422.02966	1.9
438.13345	10.8
451.14297	1.8
452.14911	3.3
467.13348	1.9
481.15292	57.5
495.17130	16.9
497.18555	3.2
514.14630	3.4
540.16565	7.5
555.19000	58.3
556.19409	2.2
567.19122	2.6
572.15698	26.4
586.17065	9.5
630.74860	2.1
641.22552	27.8
701.24829	70.0
703.64825	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	699.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08908	0.6
56.36800	0.6
57.30320	0.6
59.01377	13.0
59.01608	0.7
66.28335	0.6
66.66502	0.8
67.34035	0.5
71.01380	1.8
78.95908	1.1
89.02435	1.4
101.02444	2.9
106.29372	0.7
113.02436	1.2
116.83560	0.7
125.06065	0.8
134.03996	0.6
143.07149	12.6
152.99626	0.9
235.08351	1.4
253.09309	11.4
277.21741	100.0
371.99228	0.9
400.14377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95847	0.6
57.89775	0.7
59.01385	11.9
59.26635	0.6
69.72643	0.7
71.01389	3.4
78.51167	0.8
78.95923	1.7
85.03003	1.3
89.02466	3.3
101.02446	1.6
105.75737	1.0
113.02476	1.3
235.08284	0.9
253.09346	10.5
255.23412	1.0
258.66443	0.8
277.21729	100.0
278.22131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01379	5.2
59.01653	0.3
63.24881	0.2
68.99815	0.3
71.01375	3.2
72.99323	0.9
73.47238	0.2
75.00866	25.4
85.02959	3.0
87.00862	3.6
89.02444	2.1
92.64578	0.2
97.02923	0.3
99.00877	10.6
101.02444	0.9
107.05074	0.4
111.00887	1.4
123.04520	0.3
129.01939	14.7
133.02931	0.3
134.03731	1.2
135.04523	12.8
141.01950	0.5
159.03001	10.2
161.02461	0.5
177.04076	1.6
179.03502	6.4
187.52650	0.3
195.05109	100.0
196.05444	0.3
324.08890	0.3
339.07217	0.3
357.08264	13.3
729.55804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24628	0.3
59.01374	2.2
61.98832	100.0
70.02039	0.5
73.17245	0.4
78.95918	0.6
79.91418	0.4
132.09950	0.5
141.44351	0.5
190.45998	0.6
266.17090	0.6
267.18683	0.5
350.66391	0.5
361.76447	0.6
395.30664	0.6
420.21683	0.6
646.23993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84931	0.6
56.45604	0.6
57.03461	1.5
58.00620	0.5
59.01125	0.7
59.01377	5.8
63.36147	0.5
71.01373	4.8
72.99307	1.0
75.00874	30.6
77.62707	0.6
85.02975	3.8
87.00862	4.4
89.02448	1.5
96.96021	1.1
97.02942	0.7
99.00890	9.1
111.00922	1.2
119.05023	6.0
121.89596	0.7
127.81557	0.6
129.01941	17.7
133.02901	0.7
134.03734	0.6
135.04547	9.1
159.03003	10.6
161.02580	2.3
163.04013	6.6
169.39372	0.6
177.04164	2.5
179.03531	4.5
194.04620	0.7
195.05127	100.0
341.08875	2.8
357.08340	18.6
384.35803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38927	0.5
59.01393	2.2
84.04549	0.7
85.02964	2.7
102.66269	0.6
107.25747	0.6
122.06084	5.6
159.05661	2.6
159.82802	0.6
160.05197	1.1
160.06422	17.8
161.07217	10.1
172.06479	1.3
173.07161	5.5
187.08765	2.6
188.09593	3.0
189.10347	14.3
192.05406	3.0
211.07497	0.7
213.10329	2.6
215.08287	5.5
220.08618	1.3
222.63550	0.6
233.09291	1.2
238.67616	0.7
240.09055	0.9
251.75687	0.6
267.10086	4.7
267.15137	0.9
268.14645	0.7
281.11337	0.7
282.12518	26.6
294.09409	1.0
294.12521	15.6
295.13318	1.0
305.54123	0.7
308.14026	0.7
310.15601	16.4
333.13708	0.8
334.15643	0.9
336.13559	14.0
336.17102	1.3
354.14630	100.0
355.14996	1.1
362.15164	5.0
380.16290	2.8
385.80167	0.7
398.17264	38.8
405.15808	2.5
406.13974	5.4
491.19116	2.5
535.21838	6.4
635.27332	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64177	1.3
58.05928	1.3
59.01392	16.1
71.01389	6.2
73.02965	8.1
78.87057	1.6
79.91817	1.5
80.42242	1.6
80.43357	1.6
85.02990	2.8
87.00896	2.9
90.73621	1.6
92.10112	4.9
97.01692	2.1
101.02440	4.0
104.52619	1.8
106.06638	3.6
113.02451	7.8
118.06638	3.6
122.06135	3.6
123.06887	2.3
124.07683	37.5
132.02196	1.8
133.02980	2.8
134.03694	1.9
134.06133	3.5
135.07054	1.8
136.07677	20.1
138.05605	3.9
146.06180	7.8
150.05609	12.2
151.04175	1.8
160.01698	7.2
161.02420	2.1
162.05644	15.6
163.06387	8.7
164.07109	3.7
165.04330	3.7
177.02080	2.0
178.05162	6.2
179.05841	3.9
187.03748	2.2
195.05365	3.9
200.04781	2.1
212.09569	3.0
213.10526	1.7
226.11115	20.7
227.11945	7.2
241.13492	39.4
243.15096	14.1
253.09889	1.7
254.10707	2.1
255.07687	1.8
263.11807	2.1
267.14951	2.4
268.12344	2.8
269.13000	23.2
271.10852	8.9
285.12515	25.5
285.75235	1.7
286.13232	25.6
287.14041	42.9
300.11069	2.2
328.16324	2.0
329.15005	2.7
343.15567	6.1
344.15891	3.9
362.00439	1.8
371.14960	9.1
372.15445	13.3
380.16183	4.1
388.20383	24.2
432.19135	17.9
450.20450	59.2
491.20255	3.1
492.21451	7.8
594.23657	2.0
617.25848	2.7
631.62396	1.9
636.25867	9.3
654.26837	100.0
655.26776	2.6
666.25000	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	697.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01388	7.3
61.10896	0.3
71.01360	3.0
72.99332	0.6
73.08940	0.3
75.00951	0.3
80.02694	1.9
81.03469	2.8
83.05022	7.4
84.02162	4.6
85.02961	3.3
86.00114	0.7
87.00874	4.8
89.02456	3.0
93.03471	0.9
95.05045	1.9
97.02950	0.4
97.50127	0.5
99.04485	0.5
101.02432	4.7
105.03476	0.8
107.05036	0.7
109.06603	0.8
113.02453	3.6
119.03535	0.6
119.04996	0.7
123.04514	1.8
125.06107	0.6
132.02162	0.7
133.02951	6.4
134.03734	2.5
135.04541	2.7
135.08168	14.6
137.02464	0.8
153.09224	0.8
160.01715	1.7
161.02458	7.9
161.04591	1.7
161.09712	1.8
163.11302	4.5
165.12836	2.7
171.10338	1.7
177.01915	0.8
178.02690	1.8
179.03506	2.8
185.09692	0.5
189.12860	12.3
191.10835	0.7
195.03117	0.5
195.10307	0.5
203.03603	0.5
209.11868	100.0
210.12207	0.5
215.10930	1.0
227.12900	9.4
233.11876	14.5
235.08284	0.8
247.13422	0.6
251.12944	3.7
253.09309	7.0
323.07809	1.7
327.15930	0.6
329.13806	0.8
345.17340	0.6
371.14978	5.5
475.34387	0.5
533.20343	1.9
621.22278	0.9
661.32721	0.5
665.25317	0.6
679.33777	0.6
680.32263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26091	1.0
59.01397	9.1
65.92294	1.3
70.32763	1.4
71.01377	3.0
76.41318	1.3
77.95659	1.4
85.02942	15.6
87.00874	51.5
87.01376	2.3
87.19185	1.2
92.65587	1.4
96.96017	1.9
101.02451	2.3
113.02453	27.6
133.03041	1.4
135.04570	1.8
137.02423	5.9
145.02954	1.8
152.40704	1.4
159.04556	3.2
160.05257	2.5
161.02463	2.8
162.20294	1.3
172.05293	21.3
173.06093	2.5
174.03204	8.0
183.04456	2.5
185.06075	2.2
186.07028	2.0
187.03958	7.1
187.07507	1.7
197.06061	5.7
199.04027	7.3
200.04784	8.7
201.05600	3.1
204.04308	3.0
211.04146	1.6
211.07527	1.6
227.03520	37.8
227.06908	1.9
228.04297	16.5
257.15607	2.0
267.13895	1.7
283.13431	100.0
283.16595	3.4
287.22351	2.3
301.14484	29.5
309.15009	29.7
311.12924	14.2
325.14453	8.1
327.12405	29.7
327.16122	11.3
329.14032	25.0
345.13422	15.2
345.17221	6.7
353.13974	13.0
369.13477	1.9
371.15054	98.0
387.14731	1.6
431.26309	2.0
449.27631	7.0
489.17502	9.6
491.28445	2.5
507.18286	1.5
515.19568	2.5
517.19336	2.0
533.20581	9.1
551.21802	5.9
577.19257	11.4
603.20746	5.4
621.22137	24.6
647.23303	2.8
665.24615	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	697.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44553	0.2
52.73104	0.2
55.15017	0.2
59.01389	1.6
62.45684	0.2
64.34355	0.3
71.01394	1.1
75.00874	0.4
81.03468	0.4
83.01405	0.3
83.05049	0.3
85.02949	6.5
87.00851	2.1
93.03468	2.5
109.02938	0.5
111.04530	1.1
112.26656	0.2
119.04990	0.3
127.04008	2.0
133.02966	2.3
135.04536	2.1
161.02431	2.8
171.02992	0.4
173.04559	1.4
177.01913	0.5
179.03520	1.0
191.05624	100.0
192.05905	0.6
195.05083	0.6
257.45007	0.3
275.93454	0.3
339.05023	0.5
351.07388	0.5
353.08832	11.0
636.91815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70717	0.4
59.01388	100.0
77.61995	0.4
78.95911	2.0
80.36733	0.5
85.88145	0.4
87.45991	0.5
96.91558	0.5
113.57747	0.5
121.02945	2.1
139.11546	0.5
152.99599	1.0
153.69820	0.5
191.03362	0.5
209.04558	2.3
593.13312	1.0
644.73090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.8
66.66766	2.5
71.01394	2.6
75.50793	2.3
81.03510	2.6
85.02956	2.7
91.19440	2.7
92.10766	5.9
93.03472	3.8
95.01391	2.7
96.95992	4.5
101.02434	4.9
105.03455	4.9
109.02951	59.4
113.02454	6.1
117.03532	3.5
119.05006	3.0
121.02956	4.4
123.00905	4.1
123.04520	39.7
124.01656	4.8
125.02440	22.9
133.02950	68.7
135.04536	23.2
137.02486	3.3
139.03979	6.2
147.04578	4.6
149.02458	5.1
151.00404	18.2
151.04024	3.1
152.01143	5.9
153.00703	3.6
153.01941	100.0
161.02452	69.6
164.01155	11.8
165.01955	4.5
168.00543	3.7
175.03995	13.8
177.01936	6.1
179.03534	12.2
183.02997	5.6
191.03542	3.2
195.02963	32.3
203.03520	17.4
219.03027	12.0
241.04906	3.4
255.05215	3.7
269.04581	4.6
279.04993	4.6
287.05612	5.4
297.06232	11.8
415.06796	26.8
417.08398	3.5
447.09326	4.4
475.08817	72.8
507.11383	17.8
573.12354	16.8
605.15051	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	697.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13369	1.2
59.01397	5.2
60.99322	2.3
71.01406	2.6
84.95867	1.1
85.02978	1.5
88.11629	1.0
88.98811	11.4
89.08375	1.3
101.02441	1.9
103.86007	1.1
109.02959	43.7
109.03679	1.6
113.02454	2.4
133.02960	34.0
134.03816	1.2
135.04520	37.5
137.02396	1.7
149.06105	2.4
151.04010	1.8
152.01161	15.4
153.00679	1.9
153.01944	85.3
161.02448	100.0
163.03990	1.5
167.03549	1.8
175.04047	13.6
177.05566	9.2
179.03513	21.8
195.03006	69.7
203.03519	44.9
217.05049	1.4
221.04648	5.0
225.04057	7.6
233.04713	1.4
237.37062	1.3
245.04599	2.1
255.05138	33.6
297.06339	2.5
301.25644	1.2
307.74292	1.4
399.07614	1.3
417.08344	17.5
477.10504	61.4
575.14124	88.4
716.09045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
59.01406	0.4
61.98841	100.0
78.95921	0.4
87.79185	0.3
92.10181	1.1
106.29665	0.4
108.00340	0.4
152.99579	0.6
209.11769	1.6
211.79630	0.4
289.18176	0.7
307.19232	4.9
325.20343	5.1
344.44165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12028	0.3
52.92578	0.3
59.01388	7.8
64.18661	0.3
71.01385	4.2
73.02943	5.7
77.03972	2.5
83.01413	0.8
85.02980	1.7
89.54225	0.3
92.05058	0.5
101.02457	2.4
103.04295	0.5
106.06659	2.0
113.02467	0.7
114.99990	0.3
116.05035	0.8
116.24841	0.4
117.05880	0.4
118.06630	24.7
121.05340	0.5
122.06141	0.6
123.06876	1.8
124.07618	0.5
125.02460	0.7
133.02951	0.6
134.00754	0.3
134.06165	0.9
136.07668	9.9
138.05548	0.6
147.03310	0.5
148.04056	1.8
150.05647	3.3
160.04044	20.0
160.05354	0.9
161.04819	22.0
162.05611	100.0
164.03540	1.8
165.04311	1.6
175.02771	2.1
176.03453	1.7
179.05925	0.8
188.03539	0.6
192.03004	3.0
193.03815	19.3
194.04552	2.6
206.04588	0.8
208.02554	0.5
211.08907	0.5
213.10199	0.6
215.03859	0.4
224.10994	0.5
225.10355	0.6
225.35014	0.4
226.11127	22.3
227.11888	2.3
239.11920	0.6
241.13475	37.1
243.15027	2.0
256.12128	0.5
267.07968	0.6
267.11374	3.1
268.08694	0.4
269.09311	11.5
271.10852	1.9
283.10916	11.7
284.11673	19.0
285.12473	25.9
285.15662	0.9
286.13214	5.7
287.13971	1.7
299.14059	3.9
327.13489	3.3
328.14484	0.6
341.16464	0.7
371.16470	1.0
386.18951	2.6
404.19788	7.1
415.14850	0.5
423.40686	0.5
430.17776	3.7
448.18826	20.8
489.18872	2.1
490.19946	3.5
506.18283	0.5
592.22900	0.6
610.23749	0.8
652.25226	82.3
653.25598	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	695.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.99030	0.3
69.11407	0.5
74.06896	0.4
78.95892	5.0
80.20831	0.4
102.66183	0.4
106.30600	0.4
152.99629	0.6
174.95442	0.4
178.92200	0.4
411.29514	0.4
695.31323	21.9
696.32233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86098	0.5
59.01386	3.1
71.01389	1.5
75.00877	6.2
77.63689	0.6
83.04982	0.7
85.02950	6.7
85.98464	0.7
87.00894	1.7
92.10080	1.3
93.03459	3.7
96.95965	0.7
99.00856	0.8
103.81989	0.7
103.87873	0.7
109.02980	1.0
115.85338	0.7
119.05048	2.7
125.02393	0.8
127.04031	1.3
129.01967	3.9
133.02980	9.6
135.04524	5.8
157.23088	0.7
159.03001	2.7
161.02440	29.8
163.04022	1.6
167.03453	0.7
170.93222	0.7
173.04562	1.1
177.01981	3.2
179.03520	6.3
191.05627	100.0
192.05966	1.3
195.05135	17.8
203.03551	1.4
228.08247	0.7
341.08792	12.0
353.08905	9.1
420.94598	0.7
723.28149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01383	10.9
66.25508	0.4
71.01379	15.7
72.99326	1.8
73.02956	1.5
75.00883	0.9
80.88886	0.4
85.02970	2.1
87.00872	29.7
89.02442	0.5
92.10159	1.0
93.03465	0.5
96.96018	1.9
99.00934	0.5
101.02435	0.5
109.02991	1.1
112.98822	2.0
113.02467	0.7
115.00368	62.0
117.03416	0.5
119.05028	10.6
120.05389	2.5
125.02401	0.6
127.00342	1.0
132.79922	0.4
133.02963	1.1
134.03691	0.5
135.03101	0.4
135.04495	1.7
145.95613	0.5
156.67705	0.4
157.01312	0.5
161.02434	0.7
163.04019	7.8
164.04329	2.8
173.04460	0.6
175.02481	100.0
176.02773	0.5
179.03482	1.0
190.02713	2.9
191.05600	4.0
193.05026	2.0
233.04616	0.7
263.05435	0.6
291.05133	2.6
300.74084	0.5
315.08792	0.5
325.09427	0.5
351.07126	0.6
353.08487	0.4
369.08438	1.0
373.74661	0.5
475.66043	0.5
695.18604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38055	0.6
55.40009	0.7
61.98833	100.0
62.76796	0.8
69.25781	0.8
78.95915	3.3
89.39383	0.7
92.88560	1.0
152.99591	1.4
197.42360	1.0
209.11868	1.7
289.18109	1.3
305.17618	3.8
305.66330	0.8
307.19205	3.6
323.18607	1.5
325.20178	0.9
389.70895	1.0
409.66986	0.9
628.23907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1475
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.87481	0.3
58.39945	0.3
59.01373	0.8
63.02397	0.6
63.21146	0.3
65.00352	0.4
83.01385	0.5
93.03445	1.7
107.01379	1.2
108.02191	0.3
109.02953	0.5
117.03460	1.2
119.05058	0.4
123.04539	0.5
124.88770	0.4
125.02379	0.5
126.75294	0.3
133.02950	0.4
135.04549	0.5
141.01891	0.3
151.00363	2.0
153.01932	0.5
155.05022	0.4
159.04494	1.5
161.02441	1.3
163.89885	0.3
164.01004	0.3
167.03502	0.6
171.04536	0.5
179.03439	0.5
183.04524	5.1
185.02330	0.5
185.06067	0.5
187.04095	0.5
191.05667	0.7
209.04532	1.4
211.04010	2.5
213.05507	0.5
227.03520	14.3
229.05046	0.7
239.03352	0.6
241.05084	0.7
255.02994	65.9
256.03537	3.1
257.04578	0.5
269.04626	0.6
281.04620	0.4
283.02493	100.0
284.03232	18.1
284.06396	0.6
285.04047	69.4
286.04333	1.6
289.07068	0.8
297.04016	1.3
298.04892	0.5
326.04193	0.7
327.05118	2.7
422.33267	0.3
446.08557	9.9
447.09412	8.0
489.10416	24.2
490.10712	0.5
531.11487	3.0
555.55780	0.4
645.61401	0.3
651.15771	35.1
652.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4225
Annotation	Scrophoside A
Peak:m/z	Relative Intensity
50.70545	2.1
57.03467	3.2
59.01396	100.0
60.62486	2.2
61.69248	2.2
71.01382	26.5
73.02965	4.4
75.00881	5.2
83.01362	3.9
85.02986	19.8
87.00909	2.9
92.10165	3.0
101.02454	21.8
106.17628	2.8
113.02480	10.7
125.02467	3.2
161.02496	5.6
171.59790	2.6
236.74905	2.9
307.80701	3.3
375.28928	11.3
407.27972	6.3
519.33386	3.3
633.40265	10.7
636.09479	3.1
651.41345	46.3
693.41650	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	694.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00363	0.5
61.98834	100.0
70.68310	0.5
78.95943	2.4
92.10063	1.1
106.14016	0.6
152.99557	1.1
181.27951	0.6
185.72627	0.6
195.50237	0.6
209.11938	1.2
256.23648	0.6
305.17627	3.7
308.82932	0.6
323.18677	3.1
327.39941	0.6
503.50250	0.9
613.37677	0.8
631.39581	0.8
707.62646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02967	6.7
85.04005	1.1
87.00866	1.9
88.94255	1.2
89.41705	1.1
93.03455	7.8
96.95994	2.2
105.03439	1.8
127.04005	1.7
132.87863	1.4
133.02936	13.6
135.04494	6.0
153.44160	1.2
161.02475	2.2
161.67090	1.1
173.04594	2.1
177.01938	42.5
179.03419	2.1
191.05632	100.0
195.03137	1.1
195.05168	2.8
215.05585	5.2
339.07236	7.4
351.07214	7.3
351.34940	1.8
353.08743	8.1
497.11588	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	691.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22701	2.9
57.57207	2.7
59.01397	2.8
78.95892	42.5
83.05027	3.9
92.65353	2.8
112.39051	2.9
130.05905	3.4
139.94115	3.1
152.99603	54.9
163.11296	3.8
183.84659	2.8
209.11858	100.0
253.21906	6.6
325.68509	3.4
455.17029	57.0
526.33173	3.6
691.38226	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.00605	0.7
59.01382	30.4
69.03478	0.7
70.96429	0.6
71.01376	15.2
73.02956	1.4
78.95924	1.3
80.23650	0.7
83.01405	0.9
85.02968	4.1
87.00881	3.1
89.02440	15.2
90.66061	0.6
97.02977	1.7
99.00900	0.7
101.02433	13.1
113.02464	5.4
119.03508	4.0
125.02457	4.0
143.03505	0.8
161.04546	1.5
161.48466	0.8
165.11385	0.7
179.05661	1.5
195.13950	9.5
196.14723	0.7
205.12402	1.0
206.91817	0.7
211.13518	0.9
223.13426	7.0
231.21283	1.2
235.08211	3.5
256.13058	1.5
275.20081	6.0
293.21265	100.0
294.21500	1.3
305.08923	1.1
381.24316	0.8
397.13559	15.5
415.14575	19.5
436.39297	0.8
714.20782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	27.4
71.01395	17.9
73.02963	6.1
74.63813	1.2
74.64835	1.3
75.21816	1.3
76.56532	1.2
78.95935	3.1
85.02972	3.3
87.00887	2.4
89.02448	16.3
97.02928	2.2
101.02452	12.0
108.69810	1.3
113.02459	6.7
119.03488	2.5
125.02451	2.7
143.03520	1.4
152.99591	2.3
161.04591	1.6
195.13960	9.1
209.11862	5.5
223.13411	8.0
234.16069	1.5
275.20303	7.6
293.21268	100.0
397.13641	17.0
415.14636	19.8
428.01968	1.4
655.39832	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	691.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26462	4.2
55.10546	4.5
57.03464	5.1
59.01388	42.8
71.01392	12.0
78.95898	5.6
79.09863	4.3
85.02966	4.9
90.25786	5.6
91.36636	5.8
97.02927	5.4
101.02436	7.4
109.06566	11.9
114.73634	5.6
131.10648	6.2
135.08157	5.6
161.02405	7.0
163.11311	12.4
172.50540	5.9
175.15219	5.3
183.10226	22.1
185.11848	6.1
197.11859	71.8
199.09827	5.2
207.10352	40.7
209.11807	9.5
211.13397	73.9
225.11353	19.8
253.09203	11.0
355.22723	6.3
383.22281	9.7
401.23584	21.1
414.91882	5.7
461.19891	7.3
461.71985	5.3
609.32635	5.5
619.31085	21.4
637.32196	100.0
651.33197	5.4
655.33502	34.3
691.32166	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	691.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.3
77.99613	0.2
78.13358	0.2
79.95752	1.7
87.36203	0.2
96.96004	100.0
109.02972	0.9
111.96169	0.3
112.03873	0.2
120.98331	0.2
121.02898	0.2
124.67059	0.2
131.95120	0.2
133.02962	0.4
135.04456	0.3
141.09518	0.3
153.01944	1.0
161.02412	1.0
203.03427	0.3
207.02267	0.3
227.03490	1.1
255.03004	1.6
284.03366	2.2
285.04068	2.7
314.96451	0.3
365.20181	0.3
496.48145	0.3
575.14398	0.3
593.15320	1.8
715.86761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77549	0.2
57.48237	0.3
57.95006	0.2
59.01384	3.0
59.36297	0.3
71.01379	1.4
73.02932	0.5
96.48508	0.3
96.96002	0.6
99.33578	0.3
101.02454	1.2
104.05050	1.4
106.06631	100.0
107.06963	0.5
108.08195	4.1
109.02980	0.5
113.02458	1.1
118.06644	2.6
120.08189	1.5
125.02380	0.3
130.06616	1.6
131.03790	0.6
133.02885	0.3
134.06137	0.6
135.04515	0.4
136.07689	0.7
146.06146	2.2
148.04004	0.4
148.07637	0.5
150.05623	57.7
151.05933	0.3
153.01984	0.5
161.02475	0.5
162.05643	0.7
164.07182	17.3
174.05624	1.8
192.06706	8.0
194.04611	12.2
217.09978	0.5
236.05707	3.9
238.43336	0.3
250.07381	0.7
278.06735	0.7
298.53806	0.3
338.08911	2.4
398.10980	34.8
440.12286	0.7
470.18417	0.4
524.94232	0.3
651.98657	0.4
654.28955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82634	5.6
59.01391	29.0
61.98848	5.4
71.01389	7.5
89.02441	11.4
97.33015	5.7
101.02428	7.0
112.25515	5.2
255.23296	92.6
338.27423	6.0
397.13660	100.0
415.14636	32.3
456.50836	6.8
653.37805	10.8
689.35413	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42687	1.1
55.01891	1.0
57.03458	1.4
59.01379	13.2
69.22453	1.0
71.01383	8.9
71.05015	2.0
72.83409	1.2
73.02936	2.0
75.00874	1.3
77.83904	1.2
81.03471	1.4
83.05038	6.1
84.02151	1.1
89.02442	2.6
95.05052	1.4
96.96033	1.5
97.02952	2.3
97.06619	1.6
99.00877	16.8
101.02430	6.1
108.14644	1.2
109.02945	6.5
109.06556	1.3
113.02422	2.1
119.03435	1.3
123.04369	1.3
124.66653	1.4
125.09711	8.0
133.02934	5.4
135.04510	2.5
152.01210	1.5
153.01936	8.6
153.09140	1.7
161.02448	5.0
163.11227	10.0
165.01807	1.4
165.09241	1.4
165.12843	2.7
175.03947	1.3
176.04774	1.2
181.12364	11.1
183.10262	17.4
191.10684	1.5
195.02922	4.9
197.11861	5.5
197.72267	1.2
198.12183	1.9
199.13361	5.9
207.10258	21.6
209.11855	100.0
210.12193	5.3
223.92715	1.2
225.11342	32.8
227.12943	10.2
243.12393	16.6
253.09361	6.8
283.61017	1.6
441.30487	2.0
448.23068	1.4
476.09540	4.5
479.21268	2.1
513.14008	1.5
514.75494	1.4
536.09393	1.4
671.32520	1.6
689.33716	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38023	4.8
55.25775	4.4
57.03468	4.6
58.51967	4.8
59.00471	5.0
59.01376	45.6
60.55153	4.5
71.01403	13.0
84.60375	4.8
85.02979	8.6
86.77673	5.8
89.02471	22.5
101.02462	10.9
111.08140	7.5
116.92883	7.2
133.02946	7.9
135.04552	9.6
153.01907	6.5
195.13954	7.6
211.13385	5.8
255.62611	6.4
269.76123	6.0
291.19693	100.0
300.89194	6.2
307.79645	6.0
397.13531	37.2
405.10159	5.6
415.14658	9.2
677.84070	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	689.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.5
57.03448	0.9
57.52344	0.5
58.00603	0.7
59.01386	13.6
61.98930	0.7
64.10718	0.6
69.03481	0.7
69.79057	0.5
71.01382	70.7
72.99339	0.8
73.02945	4.1
75.00912	0.7
75.52166	0.5
80.02689	3.2
81.03479	2.4
83.01411	0.7
83.05027	8.7
83.05385	0.4
84.02177	1.2
85.02976	3.8
85.47139	0.5
87.00890	1.0
87.87627	0.5
89.02470	2.9
95.05045	2.6
97.02946	4.5
97.06610	0.9
99.00908	2.9
101.02438	7.4
106.04214	0.6
107.04984	0.7
109.02979	2.3
109.06592	12.4
111.00955	0.6
111.04595	0.6
113.02464	3.4
116.25318	0.6
119.03510	0.6
123.08191	0.6
125.02498	0.6
125.06053	0.7
125.09734	3.2
125.49200	0.6
127.11310	1.3
130.18721	0.6
133.02934	1.2
133.03978	0.5
134.03769	0.6
135.08191	3.0
136.05338	0.9
142.02733	1.0
147.11809	0.7
153.01994	2.5
155.10834	0.9
161.02534	3.0
161.04552	0.9
161.09624	0.7
163.11293	17.4
165.01923	0.6
165.09181	0.9
165.12813	4.2
171.10289	24.1
177.02011	0.6
179.10811	0.8
181.12292	4.4
185.11858	3.3
189.09126	1.0
191.10817	1.3
195.03070	0.7
197.11801	1.3
199.09785	1.1
201.11349	10.0
207.10309	30.5
208.84222	0.6
209.11871	100.0
215.12860	1.0
225.11353	23.0
225.13507	1.0
227.12978	9.2
235.08211	2.2
243.12498	0.8
247.13553	0.7
253.09380	7.5
257.13455	0.8
399.21988	1.2
461.20465	4.9
476.09659	1.1
510.02301	0.6
527.34985	0.6
549.63507	0.8
653.32196	1.1
671.33264	3.1
689.33783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05520	2.4
56.99284	2.7
62.41693	2.4
62.84573	2.6
64.65649	2.6
65.98054	2.7
84.34305	2.7
96.04570	13.7
96.95994	14.5
112.04031	30.0
120.04540	5.8
122.20560	3.4
125.02461	5.1
130.25912	3.2
133.03050	3.7
133.06679	3.1
136.07652	30.5
138.05608	4.5
143.43494	2.9
146.06117	3.6
148.04007	26.8
149.90674	4.2
153.01956	5.1
154.08759	17.0
155.74390	3.4
161.02371	3.9
162.35321	3.4
164.01199	4.9
174.05632	17.2
176.05852	3.9
189.06624	4.9
190.08804	4.5
191.08255	16.4
198.12459	3.4
200.07201	7.1
202.08760	12.7
203.09489	3.9
204.10353	17.6
217.09886	36.1
232.08557	5.8
242.11823	7.3
243.11533	7.1
247.10898	29.0
248.14668	3.4
261.08743	13.6
285.12457	16.9
287.10422	4.4
300.12424	4.4
304.13034	4.4
333.14539	6.5
337.15778	3.5
360.15573	5.5
428.18451	4.4
446.19351	63.8
472.21213	5.2
490.22244	6.7
609.25763	100.0
610.27045	3.6
653.28320	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15304	0.8
59.01387	7.8
59.78247	0.8
65.90541	0.8
69.03461	1.0
71.01373	1.3
84.04573	4.2
85.02960	3.9
85.10920	0.8
93.02309	0.9
93.22042	1.0
96.96020	1.5
101.02462	1.2
109.02970	4.3
112.04042	27.2
120.04560	2.3
122.06110	4.4
125.02444	1.2
133.03012	1.0
136.07695	8.1
146.06139	3.9
148.04022	6.3
152.01097	1.1
153.01932	7.4
159.05649	1.0
160.05179	1.6
160.06412	17.0
161.02484	1.6
161.07198	11.2
162.05579	3.2
171.10353	1.5
172.06493	1.0
173.07236	2.1
174.09216	4.4
189.10365	14.5
192.05333	1.8
195.02956	4.5
195.05043	0.9
200.07173	1.6
202.08833	7.6
203.47018	0.9
204.10362	7.3
209.11772	4.5
212.09537	1.5
213.10446	1.3
215.08282	6.0
217.09923	7.2
220.08553	1.6
225.11339	1.4
243.11365	1.2
255.05212	3.6
257.08252	1.7
261.08777	2.2
267.10141	4.3
282.12497	20.5
294.12503	10.6
295.13315	1.4
297.06213	1.1
310.15634	16.1
315.13721	1.0
317.14993	2.1
334.15750	1.1
336.13629	13.5
354.14661	100.0
362.15137	3.8
364.54248	1.1
380.16232	3.8
398.17279	46.6
405.15991	3.5
406.14240	5.7
428.18204	1.4
480.21860	1.1
491.19376	1.2
494.27206	1.1
535.22131	4.2
573.16425	1.1
591.24658	4.2
611.38654	1.2
635.27466	37.8
653.28497	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	689.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23637	3.0
59.01382	44.7
71.01378	20.2
73.44370	3.9
75.00873	3.3
79.35338	3.7
85.02963	7.2
89.02449	6.6
109.02948	8.1
113.02443	9.6
119.04993	5.7
121.02948	5.7
125.02464	6.3
128.37332	4.2
133.02985	3.8
135.04529	8.9
137.02426	6.8
147.04494	30.3
149.02362	4.8
153.01927	21.0
161.02449	16.8
163.00354	33.8
165.05539	21.6
179.03503	4.9
190.99921	18.9
197.06168	13.5
307.00519	4.4
319.06113	8.4
330.79507	3.9
331.06323	4.7
333.07782	9.0
342.22601	4.2
347.05740	7.0
359.05545	7.7
361.07385	29.2
389.06671	36.3
389.11121	5.3
401.06592	7.7
419.07840	16.2
569.13092	76.7
599.14471	44.6
689.17291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10884	1.6
55.01870	2.8
57.03435	2.2
58.87196	2.3
59.01378	20.1
69.20714	1.6
71.01372	21.7
73.84995	2.1
78.95950	2.2
83.05042	12.1
85.02938	3.3
87.00857	2.2
89.02467	2.6
95.04996	5.1
96.95898	2.4
97.02939	2.8
97.06640	2.5
101.02430	4.8
109.02959	11.0
109.06601	5.3
111.04506	10.9
116.92864	11.1
123.04529	2.6
125.09724	3.8
133.02946	5.4
134.03677	2.7
135.04526	3.9
135.08195	3.1
139.04022	4.0
151.11334	3.5
152.01088	2.4
153.01907	15.5
160.01558	2.5
161.02440	13.0
161.09663	3.9
162.08568	2.1
163.11249	10.9
171.10251	28.9
175.03957	2.2
177.02043	2.9
177.05611	2.1
178.02728	2.4
179.10805	10.7
193.06372	2.0
195.03015	3.7
197.11829	3.9
203.69957	1.9
205.08720	11.1
207.10222	8.6
209.11859	100.0
216.79939	2.1
223.09802	28.9
225.11288	2.3
227.12906	9.6
253.09268	8.9
353.69830	2.4
372.48868	2.5
416.07385	2.7
450.49243	2.9
459.18930	4.4
476.09723	8.9
651.30646	3.5
669.31464	3.8
687.32397	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	687.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03458	1.0
59.01386	10.1
69.03452	6.6
71.01373	6.5
71.05028	2.7
73.02953	1.0
78.95974	0.6
79.11478	0.5
80.02672	2.4
81.03466	2.7
83.01398	1.4
83.05034	8.8
84.02184	2.2
85.02966	2.5
86.00058	0.5
87.00861	0.9
88.81631	0.5
89.02424	4.2
95.01382	0.6
95.05026	2.2
96.96008	0.8
97.06578	2.1
97.36590	0.5
99.00879	0.5
101.02440	6.6
109.02972	3.3
109.06564	0.9
109.79108	0.5
113.02453	3.3
119.03507	0.9
123.08158	2.2
125.02426	0.6
125.09716	3.8
133.02945	1.1
135.04498	1.3
135.08157	1.2
137.02425	0.7
151.11311	3.7
152.01201	0.6
153.01947	3.6
153.12854	1.3
161.02428	2.6
161.04597	0.8
161.09750	6.5
163.11298	8.4
165.12810	4.2
177.09279	0.6
179.10788	11.1
181.12418	0.8
185.11984	0.7
191.10831	1.2
193.72699	0.6
197.11841	73.8
198.12189	0.7
201.94168	0.5
209.11853	100.0
223.09747	1.1
225.11311	0.9
227.12909	5.2
235.08264	0.6
241.10788	3.3
247.62125	0.6
253.09280	4.2
343.15628	0.7
357.26468	0.8
371.15262	0.9
477.19705	2.2
640.78589	0.7
687.32410	89.5
688.32727	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	687.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87226	2.4
59.01381	28.6
65.50045	3.3
71.01383	6.4
75.84457	3.1
85.02954	3.7
87.00861	4.8
87.18890	3.0
89.02466	3.1
96.96019	4.4
101.02436	4.9
107.01414	2.7
109.02963	84.1
111.00919	4.6
111.52252	3.1
113.02448	4.7
133.02988	3.4
152.01135	22.6
153.01952	94.7
160.05304	4.5
161.02415	6.3
164.86366	3.1
168.36165	3.3
172.05281	28.4
173.06056	4.1
179.03543	3.3
185.06076	4.7
187.03914	11.8
187.07664	15.0
195.03043	78.6
199.04030	7.4
200.04863	13.5
201.05493	6.1
204.04295	7.2
227.03503	28.4
228.04372	6.7
229.06140	5.2
232.56087	3.3
247.72664	3.5
255.05066	29.5
283.13449	100.0
297.06180	18.4
301.14560	34.8
309.15097	22.1
311.12979	15.8
327.12393	12.6
327.15915	8.6
329.13873	17.3
345.13412	4.2
345.17148	19.7
353.14008	5.2
371.15030	35.7
387.14713	4.2
413.16214	5.6
431.17017	11.3
609.19574	3.6
627.20862	21.6
687.23022	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	10.8
71.01396	11.0
73.72399	2.4
78.90273	2.4
81.79750	2.3
83.01417	3.0
85.02938	4.9
101.02464	6.5
109.02968	63.6
111.00888	5.3
113.02459	4.1
123.04558	3.1
135.04547	4.4
151.04005	3.9
152.01163	17.4
153.01944	92.2
159.04539	3.9
161.02446	6.5
172.05296	27.4
173.06264	3.1
175.58812	3.4
185.06059	5.9
187.04062	11.0
195.03017	70.3
199.04085	12.0
200.04944	6.1
201.05551	5.4
224.04797	3.9
227.03508	38.1
228.04279	18.1
255.05170	25.0
255.13971	2.9
257.15442	4.7
283.13437	100.0
297.06241	6.6
301.14536	40.1
309.14938	18.3
311.12872	16.4
327.12466	19.3
327.16138	10.3
329.14017	20.3
337.74570	3.2
345.13458	5.4
345.17157	11.6
353.14050	11.0
371.15021	44.0
387.14728	12.5
389.16068	4.0
413.16089	10.8
431.17065	6.4
450.54129	3.1
551.22266	3.0
609.19995	4.8
627.20831	19.8
669.22217	3.4
687.22943	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09319	0.3
57.03463	0.5
59.01381	9.6
59.01654	0.5
61.21342	0.3
63.49945	0.4
71.01369	6.7
73.02963	0.6
80.05038	0.6
83.01394	0.5
83.90903	0.4
85.02938	2.9
87.00892	0.7
89.02434	8.5
89.02933	0.5
92.10094	1.0
95.01398	0.7
96.04576	2.2
97.65141	0.4
97.91495	0.4
101.02442	6.1
109.02956	18.6
109.03682	0.7
111.00863	0.7
113.02467	4.6
117.03478	0.7
119.03484	3.5
123.00857	0.4
123.04522	0.6
124.01665	0.6
132.02194	1.7
133.02953	37.1
134.03732	1.0
135.04515	17.0
135.05496	0.8
137.02451	0.6
141.91422	0.5
143.03500	0.7
147.04602	0.5
149.06053	0.8
151.03993	0.5
152.01146	3.4
153.01939	20.2
161.02446	100.0
164.07146	0.5
175.04018	2.1
177.05569	1.9
179.03474	7.5
179.05688	0.9
182.08228	1.9
195.02998	12.2
203.03537	3.9
221.04698	0.7
245.04346	0.5
255.05130	6.9
280.52710	0.5
297.06113	0.7
326.12292	0.9
344.13528	23.2
388.12543	4.9
397.63034	0.5
417.08405	0.5
462.13977	2.6
477.10410	2.2
480.15128	1.6
524.13989	5.9
550.15625	10.4
580.22516	0.5
642.18268	2.3
668.16309	1.7
686.17322	44.7
687.17444	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	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03459	4.4
58.59418	0.6
59.01390	6.5
61.98840	5.1
65.03582	0.6
69.26817	0.7
70.85699	0.6
71.01402	4.2
74.43290	0.7
81.29523	0.7
89.02438	4.2
96.88543	0.7
97.06570	11.1
101.02460	3.2
101.33929	0.7
103.00915	0.8
113.02459	2.7
119.03548	1.0
123.08192	5.7
125.09725	100.0
128.22182	0.7
142.62550	0.6
143.10770	1.7
169.08722	2.7
169.85225	0.8
187.09782	73.4
202.62573	0.7
203.14378	0.7
253.09361	1.4
261.13379	0.8
261.70435	0.9
277.21786	12.9
345.55215	0.9
405.17630	4.2
423.18723	11.0
683.40265	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.7
64.98272	2.4
65.57192	1.5
71.01377	24.0
73.02951	4.3
78.22349	1.7
78.95906	3.1
83.01383	2.9
85.02953	4.5
87.00880	7.9
88.32961	1.8
89.02439	34.3
95.01385	2.3
97.02936	1.8
99.00932	2.4
101.02438	18.0
111.74857	2.1
113.02464	10.1
119.03487	3.8
125.02426	4.5
126.72630	1.9
143.03534	2.3
148.53052	1.8
152.99631	4.2
157.62531	1.9
159.76244	2.0
161.04556	2.5
181.17885	1.7
227.20183	100.0
228.20427	2.1
235.08163	4.4
246.27457	2.1
255.23994	1.9
313.20255	2.2
397.13602	79.1
398.13931	2.5
407.46744	2.2
415.14627	30.0
470.72177	1.9
625.34460	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	683.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99644	1.0
54.38741	1.0
57.03458	6.0
59.01378	5.6
59.49675	1.2
61.98846	2.3
69.45200	1.4
69.76137	1.2
71.01405	5.0
76.20715	1.2
78.95914	2.7
83.05029	1.7
85.02974	1.4
89.02437	1.9
95.05006	1.5
97.06571	22.1
100.36980	1.4
100.47696	1.2
101.02441	4.7
123.08188	9.6
125.09725	100.0
130.11522	1.4
152.99574	2.0
187.09776	37.2
217.86491	1.4
253.09384	1.9
277.21762	57.3
362.97806	1.3
423.18701	2.1
438.61124	1.6
499.59055	1.4
499.66763	1.5
551.35712	1.4
583.54846	1.4
683.40289	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03458	0.6
57.88856	0.4
58.00605	1.8
58.66914	0.4
59.01385	72.5
64.78411	0.5
71.01381	40.3
72.99311	1.8
73.02964	0.9
83.01392	1.1
85.02952	7.3
87.00879	2.0
89.02444	62.5
95.01398	2.7
101.02439	23.4
101.03098	0.8
112.19281	0.4
113.02454	19.4
119.03494	20.5
119.04316	0.7
125.02456	0.6
131.03539	2.4
143.03545	3.1
143.04532	0.5
149.04581	1.8
161.04573	4.2
162.59114	0.4
179.05634	14.9
341.10934	100.0
342.11295	1.7
504.43179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82560	1.3
59.01379	12.0
65.05468	1.1
68.82426	1.5
69.03453	3.3
71.01381	3.0
71.05051	1.9
72.67504	1.4
73.02928	2.2
80.41818	1.8
85.02967	1.6
85.69763	1.6
89.02453	2.8
92.10060	1.7
101.02472	3.0
108.25311	1.4
125.09740	2.8
160.16664	1.3
161.09703	2.5
174.02504	1.5
179.05621	1.7
179.10759	9.9
179.14392	2.1
195.13899	2.8
197.11850	100.0
205.12280	3.4
207.71573	1.7
209.11768	1.5
209.36383	1.5
223.13396	20.2
241.10730	3.5
432.27969	1.8
477.20032	2.3
479.37616	2.0
489.77222	1.8
491.28647	1.6
541.70355	1.5
683.32892	86.7
692.30450	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01378	3.3
62.25228	0.2
62.79039	0.2
71.01386	1.8
74.65432	0.3
75.00863	8.2
83.92380	0.3
85.02966	0.6
87.00884	1.5
88.81319	0.3
89.02448	1.2
99.00864	2.7
101.02472	0.5
113.02428	0.5
117.03448	0.5
119.05036	4.2
125.87808	0.3
129.01936	4.5
133.02934	3.1
134.03725	2.0
135.04524	95.2
136.04845	0.7
149.06006	0.5
159.03009	3.0
161.02446	14.5
163.04002	3.9
175.67107	0.3
177.04161	0.3
177.05576	1.4
179.03500	100.0
180.03818	0.7
180.97586	0.2
195.05107	24.0
203.03535	3.3
206.34044	0.3
206.50954	0.3
255.77994	0.4
281.06638	0.7
309.16495	0.3
341.08804	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	683.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39588	0.8
56.27657	0.7
56.84486	0.8
59.01386	4.6
68.99825	1.0
71.01386	6.0
73.06045	0.9
81.03452	8.7
85.02968	1.8
89.03965	1.0
93.03437	2.0
95.01389	1.9
95.05019	1.1
97.02923	1.5
101.02451	3.3
105.03447	4.9
107.01398	6.6
108.02141	1.8
109.02945	63.2
111.00864	1.7
113.02412	4.7
117.03474	0.9
119.05027	1.5
121.02923	4.9
122.03719	1.3
123.00888	8.1
123.04516	44.4
124.01643	1.2
124.25059	1.0
125.02444	14.9
132.02141	1.9
132.25369	0.9
133.02950	83.6
135.04527	26.6
137.02489	2.3
138.29776	0.9
139.04028	6.4
145.02937	1.0
147.04532	4.5
149.02431	10.2
149.06085	2.2
150.03198	1.0
151.00381	23.1
151.03995	3.8
152.01151	7.9
153.01939	100.0
161.02448	93.3
163.03998	6.1
165.01933	1.2
168.99983	1.2
169.01430	30.5
174.03099	1.1
175.04024	7.2
177.01947	11.4
177.05548	4.8
179.03485	20.2
187.03986	1.5
189.05533	1.2
191.03511	1.8
195.03001	29.6
195.04814	1.3
203.03517	19.1
205.71930	1.0
212.85030	1.1
219.02956	12.1
221.04558	5.1
225.04037	4.5
231.02925	1.2
243.06572	2.3
255.05103	4.1
269.04544	1.9
279.05148	11.9
281.06589	1.2
297.06281	10.7
323.07782	1.9
331.06781	2.3
341.08688	6.4
389.08716	1.5
415.06686	25.3
417.08386	6.8
449.10825	8.6
475.08881	75.2
493.09970	1.3
547.14636	2.2
573.12286	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	683.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09775	0.5
53.11905	0.4
57.11535	0.4
59.01384	43.7
71.01406	0.6
72.99294	6.1
80.89308	0.5
92.10095	1.8
93.03474	1.0
94.87210	0.6
109.02966	0.8
117.03459	5.1
119.05012	8.5
121.02954	1.0
125.02480	0.6
129.27586	0.6
133.02991	0.7
135.04552	1.2
145.03036	0.6
147.04535	100.0
148.04829	0.7
149.02438	1.1
159.04524	0.7
161.02525	4.0
163.04012	2.9
165.05576	82.9
179.03400	0.8
189.01985	0.8
207.06664	35.2
211.07735	0.7
269.04593	0.7
281.04501	2.7
282.05377	0.8
283.06131	27.9
293.04532	0.9
295.06113	0.9
311.05667	42.9
314.04413	0.7
323.05933	0.9
327.05255	0.8
341.06729	4.1
431.09885	35.0
431.15826	1.1
432.10184	0.7
489.09775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15403	1.3
53.91912	1.2
59.01398	3.3
60.99312	22.0
64.34100	1.5
65.42753	1.3
71.01411	1.4
84.78542	1.3
88.98804	100.0
88.99341	3.4
96.96034	10.8
101.02433	2.2
107.60148	1.5
107.73834	1.6
109.02967	10.6
123.04478	1.5
133.02979	8.8
135.04506	8.5
151.00383	1.6
152.01198	1.6
153.01956	17.3
161.02464	22.9
165.01901	1.7
175.03989	2.4
177.05571	1.6
179.03505	2.4
187.03957	2.2
189.05568	1.8
195.03070	12.7
203.03532	6.4
227.03525	15.3
229.05132	6.8
255.02930	31.2
255.05208	4.8
284.03311	36.2
285.04050	48.6
477.10379	3.6
575.14172	13.2
593.15179	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	681.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03445	0.8
59.01382	30.0
68.99810	1.3
69.03447	3.4
71.01377	19.3
72.94671	0.6
72.99306	0.8
73.02951	5.0
79.41937	0.8
81.03415	0.9
83.01394	2.9
85.02972	5.8
87.00877	2.7
89.02435	17.0
95.01389	1.7
95.04986	0.8
96.96008	0.9
97.02950	3.5
99.00914	1.1
101.02432	16.4
109.02982	0.9
111.00873	1.0
113.02438	9.4
119.03488	4.6
121.02943	1.2
125.02443	4.7
125.81834	0.7
128.47002	0.7
129.01923	5.8
133.02969	0.9
137.02464	5.6
143.03494	0.9
154.98157	0.8
159.04521	1.6
160.05283	3.1
161.02412	1.5
161.04552	1.4
163.04028	0.7
167.10728	3.7
172.05302	22.6
173.06033	4.0
174.03217	1.1
174.06856	0.9
175.03976	1.0
179.05551	1.0
179.10732	1.3
179.14418	3.2
183.04504	0.9
185.06067	6.6
186.06902	1.7
186.36975	0.8
187.03961	5.7
195.13895	11.0
197.06134	4.4
198.06851	1.6
199.04065	9.0
199.07712	0.9
200.04796	8.9
201.05600	5.1
202.06349	1.1
204.04274	4.8
205.12367	8.0
211.04054	1.4
211.07646	1.7
213.05534	1.0
214.06358	1.8
223.13406	65.2
225.15042	1.3
227.03519	31.3
228.04309	11.8
235.08212	3.4
239.14441	1.0
245.04480	1.1
253.09244	0.9
255.13879	3.6
257.15457	3.2
267.13867	4.0
273.08810	0.8
281.15530	0.8
283.13409	100.0
284.13849	1.1
301.14465	30.8
305.08743	1.0
309.14969	17.1
311.12943	12.9
325.14410	5.5
327.12360	19.1
327.16064	4.9
329.13913	12.5
341.13760	0.9
343.15631	1.2
345.13382	17.0
345.17151	15.2
353.14017	11.4
369.13318	1.6
371.15018	71.7
387.14590	9.3
389.16016	1.2
397.13525	37.4
415.14575	14.9
417.15631	1.1
431.17239	5.4
447.16760	3.4
461.17810	0.9
491.19153	6.0
507.18713	11.7
551.21442	26.6
605.22784	1.8
621.27795	15.9
649.24927	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	681.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34397	0.5
53.30093	0.5
55.01894	1.1
56.91398	0.6
57.03447	1.0
58.85663	0.6
59.01384	23.3
59.01656	1.3
61.93576	0.7
68.06680	0.6
68.99821	1.7
69.03452	2.9
69.09645	0.6
71.01376	13.5
73.02946	1.3
73.51310	0.6
80.70562	0.6
83.01389	1.2
85.02941	5.8
87.00883	3.0
89.02435	14.8
89.24641	0.7
92.10069	1.5
92.34315	0.8
95.01392	1.2
97.02937	1.5
99.00864	1.2
101.02435	13.4
109.02960	1.0
111.00880	1.7
113.02459	5.1
119.03510	3.6
120.22075	0.8
125.02442	4.9
129.01962	5.9
137.02458	7.2
141.36441	0.7
143.03503	1.6
146.84807	0.9
148.83743	0.8
156.05792	0.8
159.04517	3.5
160.05328	3.1
161.02495	0.8
161.04558	1.1
167.10692	1.0
171.04486	0.8
172.05312	24.6
173.06075	3.2
174.03227	1.1
179.05589	1.1
179.14346	1.4
184.05334	0.8
185.06102	7.2
186.06828	1.4
187.04031	6.1
195.13902	8.2
197.06067	5.4
198.06854	1.3
199.04041	10.3
199.07684	0.9
200.04819	8.0
201.05588	4.9
204.04306	4.9
205.12320	6.8
211.03958	1.0
211.07695	1.3
213.05565	1.5
214.06299	1.3
223.13417	40.5
224.04684	1.1
225.14879	1.0
227.03531	31.7
227.06990	1.0
227.10760	0.9
228.04306	12.9
232.03798	1.1
235.08215	2.8
245.04610	1.5
255.13860	1.2
257.15396	3.5
267.13864	1.6
281.11896	0.9
283.13431	100.0
284.01102	0.8
284.13681	1.6
285.15018	1.5
301.10995	1.0
301.14487	30.0
309.14996	20.2
311.12927	11.7
325.14508	4.9
327.12375	19.0
327.16092	8.5
329.13983	10.2
333.41357	0.8
335.12988	1.2
343.15482	1.3
345.13361	14.9
345.17148	13.2
353.14011	11.7
369.13394	3.9
371.15009	63.1
372.15292	1.0
387.14536	9.7
397.13553	21.3
415.14639	10.6
418.50723	0.7
431.17230	6.0
447.16632	4.0
461.18124	1.1
491.19092	5.3
507.18872	10.6
551.21497	24.9
605.22797	2.7
621.27789	11.7
649.25348	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	680.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81356	0.6
61.98835	100.0
77.68282	0.7
102.37823	0.7
105.07820	0.9
115.00597	0.8
152.80344	0.8
275.81693	0.7
279.13644	0.7
307.18976	0.9
517.78656	0.8
603.91644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27581	0.4
60.25003	0.5
60.74288	0.4
61.98831	100.0
64.55409	0.4
80.96517	1.0
133.82205	0.5
139.55342	0.5
201.53386	0.6
246.58420	0.6
309.20721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44978	2.3
57.03458	5.3
59.01392	26.1
62.30951	2.0
63.65342	2.5
71.01392	6.0
85.02959	17.4
96.96014	17.6
101.02450	39.6
109.02969	4.3
110.97382	2.3
111.00882	3.8
113.02447	5.8
125.02506	4.1
129.01941	100.0
133.71204	2.4
137.02449	84.0
151.03999	3.1
161.02419	4.1
172.05319	14.8
174.03258	11.1
179.11017	2.6
185.06136	3.8
186.06792	2.7
187.04085	5.0
195.05078	5.4
197.06093	5.2
200.04895	8.8
201.05728	2.8
207.14104	2.7
225.14990	10.5
251.12881	3.6
283.13391	19.8
301.14471	15.0
309.15009	26.3
311.13040	3.8
327.15945	16.9
329.14029	38.3
345.16992	14.2
353.14066	10.3
368.25613	2.4
371.14972	40.1
413.15961	3.3
519.31677	5.0
525.64246	2.8
533.20404	11.4
543.21124	13.6
551.21533	5.3
663.22516	3.9
681.24652	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	677.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.7
57.03462	7.7
58.00588	1.7
58.32702	0.9
59.01385	79.1
69.03475	1.8
70.73712	0.8
71.01379	100.0
71.05017	23.7
72.99307	4.6
73.02946	21.1
75.00885	1.1
75.45515	1.0
76.21273	0.9
81.03482	1.1
83.01379	18.9
85.02953	40.4
87.00871	6.5
87.04520	4.6
89.02441	23.2
89.06081	11.8
93.03468	1.2
95.01392	9.0
97.02961	5.3
99.00876	10.6
99.04552	1.1
99.94321	1.1
101.02439	53.3
111.00878	1.5
112.01683	1.7
113.02449	34.0
119.03505	7.6
119.05046	1.4
121.02955	38.8
125.02452	7.1
129.02023	1.1
134.03743	34.0
135.04572	2.1
142.02682	2.0
143.03529	7.9
147.00851	2.1
149.09732	3.6
159.02968	1.6
161.02396	4.2
161.04572	14.1
165.01910	6.6
177.09242	7.3
179.05707	2.2
185.08185	1.9
193.08545	1.6
196.75175	0.9
210.08134	1.1
221.08217	85.2
233.10333	5.1
233.38326	1.1
237.07748	11.0
251.11362	11.4
255.06668	2.4
257.36407	1.1
261.94235	1.0
268.65707	1.1
269.00845	2.0
291.08542	1.2
293.12408	5.5
298.82916	1.1
311.74292	1.2
317.12402	5.6
381.12003	39.9
389.06796	4.2
395.10727	2.0
395.15643	38.3
543.17279	93.2
617.24811	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	679.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58962	5.3
54.62776	6.0
59.01387	45.9
71.01370	9.2
83.05023	8.4
85.02984	7.6
92.10120	7.8
95.25333	6.5
101.02421	10.2
113.02433	11.0
123.04523	7.1
168.82468	6.5
178.69135	6.9
197.11830	82.8
207.10287	14.6
209.11870	100.0
227.12881	12.9
232.30168	6.8
429.04431	6.9
445.20425	6.7
661.32690	10.6
679.31104	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17295	43.7
54.82414	47.2
59.01391	100.0
61.98837	58.5
78.95913	67.3
175.70799	54.9
241.73584	51.8
280.23117	54.2
341.39185	54.4
501.47726	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81358	1.7
55.01877	1.5
59.01384	61.5
65.87038	1.4
67.21436	1.6
71.01383	38.2
73.02953	7.2
78.95914	3.1
81.03485	2.3
83.01405	6.3
85.02967	7.8
87.00899	8.0
89.02444	30.8
90.75237	1.5
91.62781	1.5
92.10129	5.3
101.02425	27.0
113.02480	13.2
119.03558	8.5
125.02448	13.1
127.03918	2.0
141.97530	1.5
143.03552	2.2
153.11145	1.9
161.04568	3.6
161.09619	1.8
176.46545	1.6
179.05632	1.7
186.74771	1.6
221.06706	2.0
235.08310	7.5
255.23213	2.1
277.21759	100.0
397.13580	65.5
415.14673	23.8
508.23581	2.1
643.57843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.1
57.03466	0.9
59.01391	56.7
59.12429	0.8
60.58764	0.9
71.01388	37.3
72.99312	2.1
73.02964	7.3
73.80455	1.1
78.95923	1.9
83.01412	4.8
85.02956	10.7
87.00887	7.8
89.02445	32.3
89.02937	1.7
97.02978	6.9
99.00874	1.3
101.02450	29.7
113.02442	13.4
119.03513	7.1
125.02426	6.9
131.03529	1.3
137.41685	1.2
139.04071	1.4
143.03552	2.1
152.36465	1.2
152.99646	2.0
161.04594	1.7
172.67297	1.1
179.05666	1.8
221.06725	1.9
235.08273	9.5
253.09271	2.2
263.07605	1.6
277.21747	100.0
287.07733	1.2
305.08685	1.1
397.13535	60.8
415.14691	17.3
515.93628	1.2
564.33545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3523
Annotation	Dianthin C
Peak:m/z	Relative Intensity
51.20636	45.8
53.78015	37.2
59.01389	100.0
61.54931	41.2
61.98840	73.9
70.86368	46.6
121.00259	51.1
142.51256	47.2
152.05640	48.1
152.99551	80.1
218.62663	50.2
232.27095	55.9
278.84671	58.4
381.17197	55.5
675.35480	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33540	0.2
57.03448	0.4
59.01389	0.5
61.24226	0.2
64.40386	0.2
70.52099	0.2
73.11897	0.2
79.95738	2.2
83.20930	0.2
85.02972	1.5
87.00887	0.8
93.03459	1.1
96.96012	100.0
97.02905	0.3
107.11839	0.2
109.02947	1.5
111.04541	0.3
113.02431	0.4
119.05070	0.4
123.04507	0.3
125.02441	3.9
125.29122	0.2
131.57860	0.2
133.02919	0.3
135.04497	0.5
137.02448	0.9
149.02428	0.3
151.04019	0.4
153.01900	0.2
158.06094	0.3
161.02448	1.5
163.03949	0.4
164.01273	0.2
173.04543	0.4
175.03987	0.3
179.03551	0.4
187.03909	0.2
191.05640	9.6
195.51070	0.2
203.07108	0.5
205.05148	0.2
206.70616	0.2
218.71609	0.2
221.01624	0.2
245.08133	0.4
255.02812	0.3
287.05688	0.3
289.07220	1.7
340.69266	0.2
360.53177	0.2
403.04895	0.2
407.07718	1.4
425.08813	1.3
451.10403	0.3
577.13373	1.0
603.23889	0.2
675.19531	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	673.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16980	2.2
59.01408	2.6
71.01382	39.6
71.21064	2.6
75.89075	2.3
77.99928	2.7
83.05028	3.1
85.03025	2.7
95.05045	5.6
123.04527	15.0
125.02489	2.9
125.09676	3.2
127.07626	20.8
133.02986	3.4
153.09190	6.5
160.83990	2.7
171.10284	5.8
185.11888	4.6
185.78166	3.4
187.98225	3.4
197.11847	14.2
207.10109	26.3
209.11868	51.3
219.09947	6.1
221.07957	21.5
227.12871	6.5
231.10030	3.8
260.10297	45.7
277.10437	4.6
278.11395	100.0
307.19150	41.5
325.20288	39.4
329.17374	89.1
347.18484	41.3
523.77997	3.0
532.36304	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22572	0.1
55.01889	0.4
56.06060	0.1
59.01379	2.6
63.45196	0.1
71.01375	1.9
72.01712	0.1
73.02946	0.5
73.58418	0.1
80.02679	1.5
81.03455	1.5
83.01403	0.3
83.05025	5.1
84.02161	1.1
85.02978	0.3
87.00877	0.3
88.15556	0.1
89.02457	1.3
92.10902	0.2
93.03465	0.1
95.01393	0.2
95.05014	0.9
97.02992	0.1
98.48413	0.1
100.01913	0.1
101.02447	1.9
106.11602	0.1
109.02913	0.2
109.06589	0.2
111.08152	0.2
113.02428	0.8
119.03500	0.2
125.06108	0.7
125.09702	0.3
135.08168	1.0
143.03546	0.1
147.11812	0.2
150.06932	0.3
161.04498	0.5
163.11293	5.5
165.12843	3.0
171.10309	0.8
172.06726	0.1
179.05573	0.1
181.12364	1.0
191.10764	1.4
199.13429	0.5
203.14400	0.1
209.11853	100.0
210.12131	1.2
211.13469	0.5
211.93410	0.1
227.12914	10.6
235.08218	1.0
247.13420	0.5
253.09294	4.2
445.20917	0.5
515.02789	0.1
637.32104	0.5
655.33002	0.2
673.40961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92054	1.4
57.27077	1.5
58.00605	1.4
59.01383	11.1
64.45132	1.3
71.01384	6.7
83.01388	1.9
83.05036	7.1
85.02955	1.4
87.00840	2.1
89.02440	2.8
101.02430	6.3
109.02931	2.1
116.92869	7.1
136.07707	1.8
153.01907	1.6
163.11305	7.4
165.12846	2.6
172.64105	1.8
174.96504	1.5
191.10649	1.8
199.13420	20.6
209.11856	100.0
215.66772	1.7
227.12912	67.6
229.14575	1.9
253.09300	6.5
281.58450	1.7
282.54422	2.0
380.16217	20.4
382.16571	2.2
592.05853	1.6
617.26074	6.5
619.26501	3.4
635.28088	2.5
637.31946	3.0
655.33710	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	673.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62377	0.5
54.16187	0.6
59.01389	4.4
66.03500	1.3
73.84533	0.5
82.03033	0.6
96.04581	3.5
96.96024	4.2
103.37049	0.6
107.05056	0.9
108.04559	1.0
109.02957	2.8
110.02475	1.3
112.04050	48.3
120.04558	4.6
121.02903	0.9
122.05365	0.9
122.06109	7.9
124.04042	1.3
124.74818	0.7
125.01221	0.8
126.59641	0.6
127.05154	0.6
132.04507	0.8
133.02975	1.2
134.06140	1.1
135.03279	0.9
135.04510	1.6
136.07675	14.7
138.05588	1.1
138.09242	3.7
146.06142	2.8
148.04041	17.5
148.07640	0.6
149.01196	1.1
149.04817	9.9
150.01952	2.6
150.05609	100.0
152.07176	0.8
153.01964	2.9
159.08203	1.2
160.04028	4.2
161.02592	1.2
161.04825	36.4
162.05597	5.2
163.02788	3.8
164.03572	6.1
164.07172	5.1
165.06718	2.7
172.03946	0.8
173.04819	3.0
174.05649	2.5
174.09250	2.2
175.05067	1.3
175.06384	11.3
176.05885	5.5
176.07243	2.1
176.10806	1.4
177.06734	1.6
178.07579	0.8
179.08217	4.5
186.05553	2.3
187.06444	8.0
187.07983	1.1
188.05780	0.8
188.07240	7.1
189.06667	3.0
190.05057	0.8
190.07440	5.5
191.08275	7.3
200.07178	2.6
201.10381	0.8
202.08771	58.8
203.08237	1.3
204.08829	0.8
214.09117	0.6
216.05649	0.6
217.07718	1.3
217.09799	8.9
219.09390	1.3
219.11407	23.4
228.06732	0.9
228.10323	3.2
230.06995	3.5
243.07614	1.2
243.11404	2.2
244.08337	4.7
245.06798	1.6
245.09323	49.8
245.12944	5.7
246.07709	4.5
246.11478	2.5
247.08528	4.3
248.09190	1.1
255.05269	1.0
262.09659	7.7
263.10379	55.6
271.10907	2.3
272.75140	0.7
285.12546	1.3
287.14075	5.6
289.11908	10.5
298.12317	0.7
307.13239	4.7
382.17853	1.0
394.09457	0.7
400.18781	3.1
407.15265	0.7
426.16721	32.2
430.19968	2.6
435.97873	0.6
444.21417	0.9
452.18222	1.4
470.19336	78.2
471.19586	1.3
474.22507	2.9
563.25177	10.3
579.46539	0.9
593.26129	9.1
607.27972	11.5
637.28735	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51843	11.9
52.45897	13.4
54.36832	10.7
55.34711	11.9
59.01392	22.6
60.49318	12.4
60.57193	14.1
64.34544	14.8
69.36398	14.6
77.82211	16.8
78.95924	28.6
112.80663	14.5
114.39207	15.5
167.91187	16.6
171.10309	100.0
205.22758	15.1
223.13515	98.1
385.06625	17.2
643.06665	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	673.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
59.01378	5.0
68.99836	0.3
70.19470	0.2
71.01371	4.2
72.99310	1.0
75.00868	28.4
83.15894	0.2
83.18217	0.2
84.45854	0.3
85.02947	2.9
87.00871	4.0
88.60029	0.3
89.02435	2.2
98.22702	0.2
99.00878	9.3
99.07711	0.3
101.02424	0.5
105.03497	0.3
109.02979	0.6
111.00893	1.7
117.03556	0.2
119.02151	0.2
129.01949	15.8
133.02965	2.8
134.03720	0.5
135.03485	0.5
135.04515	9.2
141.02080	0.3
153.01906	1.0
159.03001	10.6
159.04259	0.5
161.02480	0.6
163.21466	0.2
165.02040	0.2
168.15221	0.2
177.01865	0.6
177.04060	1.0
179.03506	5.8
195.05113	100.0
196.05586	0.4
315.07471	0.4
357.08337	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	671.4028
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01375	2.6
61.98852	1.2
62.94408	1.0
71.01399	1.4
78.95861	1.3
81.04018	1.1
85.02984	1.8
96.96010	2.7
109.02966	2.6
113.02470	1.4
116.92821	1.5
124.09318	1.4
125.02436	2.0
133.02991	2.8
149.06079	5.8
150.06880	100.0
153.01949	5.3
161.02486	5.9
163.07678	11.9
164.08473	29.1
178.10036	1.9
179.10800	48.5
195.02946	1.8
201.00047	1.4
207.10287	2.7
209.11887	7.7
225.11380	2.0
327.25708	1.5
329.23410	30.5
333.31485	1.4
491.33923	7.7
508.34125	8.9
509.34933	37.9
540.59912	1.5
671.40314	97.4
672.40570	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	671.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81276	0.3
54.22851	0.3
54.63650	0.3
55.98171	0.4
62.12446	0.4
99.92595	8.9
115.92046	0.5
116.92859	100.0
130.14180	0.3
269.08746	0.4
297.71832	0.4
396.04367	0.4
653.29956	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	671.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.4
71.01401	6.9
71.53844	1.3
73.65549	1.4
76.57418	1.6
78.95895	2.0
81.03458	2.6
83.01465	1.5
83.05038	9.8
84.02182	3.2
85.02969	1.6
87.00892	1.9
89.02446	5.9
92.10739	2.2
93.58839	1.5
97.02967	6.4
97.93281	1.4
101.02450	5.6
109.02963	6.3
109.06581	26.4
113.02429	2.1
121.06577	2.0
125.09741	1.6
133.02988	1.8
135.04520	2.3
135.08185	8.5
153.01971	3.1
163.11284	23.4
165.12796	2.8
171.63000	1.6
181.12364	7.5
195.03105	1.9
207.10281	70.8
209.11861	100.0
225.11288	30.8
227.12997	10.8
253.09294	8.2
274.12189	1.6
399.21945	2.3
399.32990	1.6
461.20306	9.0
476.09741	2.0
635.30634	9.2
653.31793	10.2
671.32593	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	671.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66895	1.7
52.61199	1.9
54.70144	1.7
59.01384	8.0
66.50002	2.0
70.17410	1.7
71.01376	2.2
75.52895	1.6
85.02959	2.3
92.10769	4.4
96.96033	2.3
109.02941	4.1
114.93362	2.8
125.02461	3.0
133.02875	2.4
149.06123	4.8
150.06863	59.5
153.01950	10.2
161.02379	2.7
163.07643	33.5
164.08437	17.4
179.10797	28.1
195.02985	2.5
207.10265	8.3
209.11801	8.6
225.11377	7.9
227.12831	4.9
327.25244	3.2
329.23499	20.8
381.72842	2.3
487.31406	2.6
491.34097	2.5
508.34201	41.3
509.34927	31.4
573.16498	3.5
599.03375	2.5
653.31396	2.6
671.40240	100.0
672.41486	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	671.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55308	0.5
59.01385	7.2
72.04551	1.2
84.04563	4.5
85.76459	0.6
97.02958	0.6
106.93851	0.7
109.02968	3.0
112.04063	8.3
119.05079	0.6
120.04537	1.0
121.06579	1.4
122.06118	6.4
133.03023	1.5
133.06590	1.1
135.04498	1.6
135.08168	0.7
136.07681	13.9
137.06067	0.9
138.05678	1.1
145.34865	0.6
146.06133	2.5
148.04134	0.8
148.07707	2.8
149.28024	0.7
152.01134	1.2
153.01938	3.9
154.02272	1.1
154.08728	3.8
157.12114	0.7
159.05692	1.0
160.06445	12.4
161.02437	6.3
161.07158	6.6
162.02834	1.2
162.04272	0.7
162.05637	0.7
162.09204	2.6
165.10313	0.8
172.06422	1.6
173.07191	4.2
173.09676	1.3
174.09329	1.6
179.08293	3.9
187.08792	4.0
188.09537	2.7
189.10390	8.9
191.08313	1.0
192.05380	1.0
195.03006	2.7
196.03316	2.5
199.08734	1.2
200.11003	1.0
201.10451	1.1
202.08812	5.7
204.03827	0.9
204.10312	1.2
206.08337	0.7
213.10390	2.8
214.08887	1.3
215.08310	4.5
215.11737	1.0
217.09689	1.3
220.08549	1.1
227.09538	7.5
227.11848	2.6
228.10362	9.5
228.13832	3.3
238.12404	1.2
240.10371	6.9
254.15468	1.0
255.05061	1.0
256.13504	10.8
259.14374	0.9
267.10107	2.8
282.12463	18.8
282.15094	5.8
294.12524	11.8
299.14093	1.6
300.12485	15.5
301.13385	1.1
308.13986	5.0
310.15717	12.8
315.62717	0.8
320.14078	3.5
322.15552	1.1
334.15628	1.5
336.13547	11.1
336.17270	2.4
352.13242	0.7
354.14664	100.0
380.16226	6.7
391.19064	3.4
392.16574	2.4
394.17969	5.2
398.17294	43.7
403.18784	2.9
404.19662	1.0
424.15085	1.2
468.17709	1.4
470.19727	1.1
477.10504	0.9
478.10886	1.6
517.24585	1.3
524.24005	1.0
543.26154	1.0
561.27228	4.6
565.26599	5.3
576.14380	2.8
609.29388	9.5
621.12958	0.8
627.26685	0.9
653.27612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72785	2.8
59.01401	8.2
70.38972	3.6
84.04574	19.5
109.02995	6.2
112.04054	35.7
113.02531	4.6
120.04569	15.6
122.06121	5.6
135.09268	4.3
136.07672	50.0
138.05629	4.8
146.06140	8.2
148.04073	19.5
148.07767	4.2
153.01935	4.9
154.08720	5.1
160.06415	6.8
161.02467	8.0
161.07191	7.9
165.10297	6.6
176.77458	3.6
179.08275	16.2
187.06424	4.1
187.08751	6.1
189.10376	5.9
195.02866	4.7
200.07187	15.7
202.08752	16.6
204.10306	6.3
215.08223	5.1
217.09831	23.3
227.09586	8.8
227.11937	3.8
228.10376	26.0
235.07544	4.5
240.10265	14.8
256.13446	24.1
261.08951	4.8
282.12375	8.9
282.15189	6.3
285.03918	3.6
299.14035	4.0
300.12396	48.2
308.14166	4.4
310.15680	5.4
320.13739	4.6
336.13779	7.9
342.17169	4.0
354.14688	100.0
380.16104	8.2
392.15942	5.6
394.17661	5.8
396.66193	4.0
398.17218	47.0
480.21234	6.1
565.26605	24.6
609.29059	20.5
627.26776	4.5
699.55603	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	671.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46182	0.6
59.01382	11.2
66.03521	0.7
70.31997	0.7
71.05029	0.7
72.04560	1.9
78.61112	0.6
79.81800	0.7
80.05054	0.8
81.03455	1.4
81.08434	0.8
84.04549	14.7
89.13394	0.7
91.39391	0.8
92.05055	1.1
92.10116	1.9
94.06635	1.5
96.04559	7.4
98.06065	0.8
99.04517	2.9
100.21671	0.8
102.05610	1.9
112.04043	34.1
118.06654	0.9
120.04547	11.4
121.05356	1.0
121.06568	1.8
122.06124	10.0
124.04039	1.6
126.24789	0.8
128.07242	1.2
133.06631	1.6
134.06142	4.6
136.07674	47.2
138.05630	1.3
146.06133	7.2
148.04056	17.6
148.07710	7.6
149.04858	0.9
150.05643	3.8
150.09306	1.3
154.08720	8.7
156.08211	0.8
159.05670	1.0
160.06424	8.3
161.04887	1.5
161.07204	5.5
162.05618	4.2
162.09273	1.9
163.05132	1.4
165.10341	6.6
168.06612	1.8
171.68459	0.8
172.07695	2.9
173.07201	4.6
173.09737	1.7
174.09268	6.0
175.06367	1.8
176.05898	3.4
176.07213	0.8
179.08287	8.5
180.10341	1.1
184.09695	0.9
186.07907	1.6
186.09396	1.1
187.08755	4.2
188.07169	0.8
188.10869	1.0
189.06633	1.8
189.08096	1.4
189.10364	6.8
190.08794	0.9
190.12363	1.3
191.08289	4.9
194.08203	0.9
199.08757	1.3
200.07193	9.3
200.10905	2.9
201.07916	4.1
202.08830	13.0
203.08257	1.0
204.10333	11.1
209.09270	3.3
212.09392	1.1
213.10240	1.0
214.08806	2.9
215.08281	6.0
215.11717	0.9
216.01697	0.7
217.09837	21.0
227.09537	12.2
227.11841	2.9
228.10349	17.6
228.13943	3.1
229.13452	1.1
231.11334	1.2
238.12303	1.0
240.10350	11.4
241.11378	0.8
242.11896	4.5
243.07726	5.6
243.11540	2.8
245.09302	0.8
245.12906	0.8
255.11403	1.0
255.15018	3.4
256.13422	19.8
259.14648	3.1
261.08829	6.9
265.13431	3.0
267.10135	1.1
277.15491	1.5
280.11072	0.9
282.12454	10.4
282.15134	9.9
292.14417	1.0
293.16452	3.3
294.12335	8.2
294.15414	1.3
299.14029	3.5
300.12436	38.1
301.13208	1.4
308.14166	5.6
310.15659	9.4
311.17465	1.3
314.45193	0.9
317.15048	4.7
320.14038	4.0
322.15683	3.1
334.15500	5.6
336.13528	7.0
336.17258	3.0
337.15790	1.1
350.18469	2.8
354.14648	100.0
355.16150	3.4
373.17749	1.8
376.16605	1.9
380.16269	13.7
391.19113	4.8
392.16199	4.0
394.17844	10.3
398.17236	51.0
403.18912	5.3
404.19992	1.2
416.18454	1.0
420.21085	1.7
424.14978	1.5
462.20566	1.7
463.21167	1.2
464.20276	1.0
468.18137	1.1
480.21484	6.4
499.23505	1.2
506.23294	1.1
508.23175	1.0
517.24866	1.1
518.23016	3.9
524.24396	1.0
543.25934	3.4
561.27405	4.0
565.26721	20.1
609.29431	17.9
610.28711	1.0
627.27051	4.0
653.27979	6.8
671.29474	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	671.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35958	0.8
54.45234	0.9
56.37204	0.7
59.01392	3.8
62.42920	0.8
62.71482	0.8
65.04803	1.0
65.88662	0.9
71.01408	1.1
73.63009	0.9
75.18537	0.8
82.02972	8.6
89.71124	0.8
96.04563	1.4
109.02977	1.4
112.04040	3.8
120.04528	5.0
122.06116	1.5
129.05580	4.8
132.04561	1.2
136.07668	5.4
138.05576	1.0
138.09221	4.1
147.04546	1.2
147.05658	1.3
148.04054	53.8
149.04814	1.9
150.05614	35.1
154.05104	1.7
156.92804	0.9
160.02861	1.4
160.04042	12.9
161.04825	98.0
162.05626	7.8
163.02621	1.2
164.03523	4.6
164.04771	1.0
164.07233	2.0
173.03545	6.6
173.04814	1.6
174.04317	11.9
174.05609	5.3
174.07019	0.9
175.05122	94.8
175.06355	3.8
176.03479	1.0
176.05850	7.8
176.07179	1.0
177.06711	1.2
179.08160	1.0
186.05539	1.9
187.06392	7.6
188.07262	1.7
189.06691	6.1
190.04921	1.1
190.07465	19.9
191.08260	13.7
195.02872	1.2
200.07175	1.6
200.10828	1.2
201.07785	2.0
201.09273	3.9
202.03784	1.3
202.08870	15.7
203.04665	20.7
203.08209	3.8
203.83781	1.0
204.06596	1.6
214.11031	1.1
215.05788	1.2
216.06677	8.9
217.07552	1.1
219.11433	2.0
222.27379	1.0
226.08755	1.5
228.06712	4.4
229.07520	3.1
231.07799	2.0
232.08556	14.7
233.06984	2.0
233.09314	46.7
242.08266	1.4
244.09830	100.0
245.09183	11.5
246.07733	1.4
263.10306	2.1
264.39572	1.2
274.82574	0.9
286.09552	4.3
287.10367	10.4
287.13751	2.2
288.08731	9.4
295.10916	1.8
305.11417	17.9
312.13589	2.2
338.11575	8.5
370.17587	4.7
400.18832	1.2
442.19949	6.0
468.17822	83.3
469.17743	1.1
472.20990	12.9
561.61377	1.0
562.06134	1.1
605.26422	23.2
617.25800	1.1
635.27417	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	671.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66165	1.0
56.43633	0.9
57.03468	1.0
59.01387	4.6
59.17086	1.0
64.77830	0.9
70.77668	0.9
73.09150	0.9
82.02984	9.1
83.05047	1.0
92.10070	2.1
96.04561	2.4
96.96008	8.7
108.01013	1.0
109.02951	4.3
110.02418	1.1
112.04104	2.4
115.25275	1.0
120.04565	6.5
121.06522	1.3
125.02373	1.4
129.05591	4.6
133.02985	1.7
134.06071	1.3
135.04517	1.4
136.07690	5.3
138.05634	1.4
138.09258	4.9
147.05635	1.4
148.04062	49.1
148.05241	2.1
149.04837	1.8
150.05614	31.6
153.01994	1.4
154.05138	2.6
160.02838	2.0
160.04015	14.0
161.04831	100.0
162.05566	7.5
164.03540	2.5
164.07191	1.6
173.03555	7.2
173.04852	1.8
174.04333	11.6
174.05627	4.9
175.05135	82.5
175.06332	3.7
176.03633	1.4
176.05882	10.8
177.06651	1.9
186.05594	1.9
187.06410	4.3
188.07269	2.1
189.06706	6.1
190.07460	16.3
191.08269	11.0
195.03000	1.6
200.07152	1.9
201.07843	4.1
201.09416	2.1
202.03888	1.9
202.08884	13.8
203.04660	21.2
203.08159	2.4
204.06628	1.4
214.11151	1.7
215.05890	1.6
215.08260	1.2
216.06767	10.2
219.11389	2.0
226.08743	1.4
228.06819	1.7
229.07407	2.2
231.07817	1.2
232.08571	16.1
233.07019	2.1
233.09322	48.7
243.11412	1.8
244.09848	94.6
245.07013	1.5
245.09294	10.5
246.07697	1.3
255.05249	1.3
261.12387	1.3
263.10336	4.2
286.09586	5.4
287.10422	9.4
287.13739	2.9
288.08826	8.7
295.11041	1.9
305.11499	16.3
312.13644	2.0
332.47833	1.2
338.11505	6.8
339.12503	1.1
354.14923	1.4
370.17767	1.9
400.18951	1.3
424.18857	1.3
442.19858	6.2
450.17133	1.5
454.19601	2.0
468.17856	89.9
472.20999	14.4
605.26202	24.2
635.27405	41.3
636.28229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	1.4
57.03456	1.6
59.01387	2.9
59.79547	0.9
65.16042	1.1
71.01396	2.7
72.99310	1.8
74.52522	1.0
75.00869	10.6
85.02957	10.6
87.00887	5.3
89.02454	1.7
95.05053	1.5
96.96024	1.6
99.00922	1.5
105.03459	2.5
108.02163	1.6
113.02450	2.3
119.05027	68.2
123.04527	2.1
129.01961	1.6
133.02972	22.5
135.04512	12.8
151.04024	1.5
163.04025	100.0
167.03497	2.3
177.01936	8.1
177.04047	6.5
179.03531	13.4
195.05113	16.3
197.11554	1.4
341.08694	17.3
355.06506	1.6
466.18835	1.4
527.46326	1.3
571.21582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34488	0.7
54.23717	0.7
59.01396	4.2
61.98832	8.0
65.33392	0.8
69.37334	0.8
71.01400	3.9
85.02957	1.2
89.02443	1.1
95.19436	0.8
101.02408	1.3
108.02164	1.3
109.02955	44.6
109.03680	1.6
111.00890	0.9
113.02450	3.0
121.03019	1.4
124.01609	1.3
125.68801	0.8
133.02954	33.5
135.04527	30.7
137.02483	1.0
147.04515	1.5
148.05357	1.0
149.06067	6.5
151.04024	3.5
152.01161	16.0
153.00691	2.0
153.01945	76.4
161.02452	100.0
167.03471	1.0
174.03307	1.2
175.03984	11.5
177.05565	5.6
179.03503	20.8
189.05476	1.7
195.03003	63.1
203.03522	42.3
221.04616	4.0
225.04070	8.0
245.04585	3.6
255.05122	35.3
297.06161	3.3
323.36380	1.0
399.07318	1.4
417.08371	14.4
477.10468	61.1
491.19019	1.0
508.15921	0.9
533.20905	1.3
575.14111	75.5
576.13916	1.0
638.04205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3869
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.18974	1.4
50.34510	1.3
50.85682	1.3
52.86075	1.3
59.01400	6.8
63.85167	1.7
66.41657	1.5
71.01379	3.1
96.96064	1.8
129.24556	1.9
133.02925	1.9
150.06868	60.3
161.02406	7.5
163.07669	21.2
164.08427	16.8
171.10266	7.2
179.10796	32.6
190.45721	1.7
195.03116	1.9
255.04961	1.9
327.21817	22.8
339.76462	1.8
401.03925	1.9
489.32031	3.4
506.32410	23.3
507.33389	34.4
656.86981	1.8
669.38745	100.0
670.39429	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	669.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59180	1.4
57.23903	1.4
59.01384	3.7
109.02988	2.7
123.04563	2.4
124.62566	1.9
125.09718	2.7
133.02934	8.2
135.04559	2.7
137.02460	1.6
149.06114	2.7
150.06870	83.0
153.01947	1.9
160.21762	1.8
161.02417	8.6
163.07614	10.5
164.08418	22.4
171.10266	7.4
178.09885	1.9
179.03423	1.8
179.10777	48.2
197.31172	1.7
274.52118	2.0
327.21863	32.7
489.32227	6.9
506.32507	3.4
507.33310	41.6
533.16620	2.5
631.17035	2.2
669.38715	100.0
670.38635	2.6
694.42798	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	669.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25479	1.9
59.01375	11.3
59.75533	2.2
66.66010	2.2
69.99110	2.1
71.01366	3.2
78.95911	3.2
81.03486	2.8
81.41061	2.5
83.05019	2.8
85.03006	3.6
87.00902	2.8
92.10755	6.0
96.95998	3.2
101.02448	3.0
113.02473	4.5
116.92851	4.3
119.04981	3.4
135.04593	3.4
163.04019	3.2
163.11307	2.6
165.12848	4.1
195.13895	3.2
205.12292	3.9
209.11852	100.0
223.13406	32.5
227.12938	16.4
277.27646	2.3
337.64816	2.9
381.76038	3.0
385.49655	3.1
390.63010	2.8
412.65881	2.5
610.54022	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	669.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31813	1.2
53.74918	1.2
54.61129	1.1
56.87578	1.2
59.01379	2.7
67.12222	1.4
71.01369	1.4
75.41333	1.2
77.87785	1.3
82.03000	1.7
85.02966	2.0
90.03528	1.1
94.06609	2.7
96.96024	3.0
111.85682	1.2
112.04050	32.2
112.04780	2.1
113.40562	1.5
116.12118	1.4
120.04560	8.5
122.06129	13.5
135.03270	1.8
138.05672	1.6
138.09254	6.7
146.06178	2.0
148.04066	23.9
149.04819	8.7
150.01964	2.8
150.05611	95.8
159.08139	3.1
160.04024	2.8
161.02409	2.3
161.04816	50.9
161.93658	1.4
163.02783	1.8
163.05150	5.5
164.03560	9.6
168.06645	6.7
173.04840	5.9
174.04266	1.8
174.09238	2.5
175.06422	1.9
176.03625	1.8
176.05820	2.5
176.07204	3.5
186.05598	3.4
187.06374	5.4
189.06717	2.7
190.05197	1.7
190.07504	2.4
191.08279	3.0
194.04561	17.0
200.07187	6.0
201.07951	8.7
202.08771	85.9
211.07280	2.6
215.08267	2.2
217.07683	3.7
217.09827	8.5
218.08313	3.0
219.11456	11.1
228.10333	7.2
230.06941	3.1
243.07791	7.1
243.11305	2.0
244.08531	24.9
244.12294	2.1
245.07117	3.7
245.09317	100.0
245.12973	25.6
246.07719	13.9
246.11404	7.4
262.09766	2.1
263.10352	29.9
271.10892	8.1
287.13934	2.3
289.08829	2.7
289.11951	25.7
307.12973	5.5
333.11127	2.6
354.14670	1.9
382.17505	5.4
400.18674	3.5
412.18854	2.7
414.26120	1.4
430.19913	3.1
456.17154	2.4
456.22522	2.0
457.15353	1.6
458.15775	41.0
474.22690	3.3
483.55072	1.5
500.20135	1.8
502.18390	68.5
553.65112	1.7
595.24133	8.8
625.25153	13.1
639.26843	9.2
647.60858	1.6
669.28180	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80274	1.3
53.72931	1.1
57.03457	2.0
59.01379	42.0
59.01651	2.3
62.30774	1.2
65.03983	1.7
67.80476	1.5
69.03466	2.1
71.01367	21.7
72.99313	1.6
73.02970	1.5
74.42152	1.3
75.00870	6.1
76.94116	1.2
81.03475	8.2
83.01399	2.4
83.05020	1.7
85.02946	33.0
85.18069	1.3
87.00879	3.5
89.02438	27.0
97.02951	2.4
99.00885	1.6
99.04536	12.3
101.02431	18.3
111.00871	23.0
113.02426	13.0
119.03506	9.8
121.02929	2.7
127.03976	13.8
129.01935	39.5
133.96494	1.3
135.04506	20.8
135.79356	1.4
136.96410	1.5
143.03503	1.8
149.00931	13.9
150.01059	1.5
161.04594	1.9
165.04054	10.0
165.55037	1.5
179.03474	14.8
179.05603	6.6
191.05672	1.4
195.05089	5.8
215.03244	6.1
215.91205	1.4
291.03885	2.4
291.07236	86.0
327.04608	21.6
341.10944	31.8
377.08591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99367	3.2
55.02904	3.5
55.03146	3.8
64.12156	4.2
65.38081	3.7
70.24113	4.0
73.60940	4.6
73.81818	4.2
83.05054	3.9
92.10770	16.0
97.02946	5.1
98.16443	4.6
103.27003	4.1
105.73879	4.2
109.90423	5.4
125.06052	5.9
125.09705	6.5
150.54565	4.2
153.09286	18.1
163.11293	20.5
171.10347	7.1
185.11815	5.9
191.14433	6.1
197.11893	6.6
207.60544	4.9
209.11880	100.0
213.51665	4.3
219.59178	4.8
225.11333	8.2
245.19218	9.4
257.37210	4.6
261.18546	5.6
287.16498	6.5
289.18091	62.9
305.17599	89.7
307.19217	86.5
323.18588	33.0
325.20169	26.6
421.39594	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	667.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15299	0.3
54.45827	0.3
58.45913	0.3
59.01379	3.8
68.88424	0.4
76.56942	0.4
96.96014	0.9
120.04534	0.5
121.10342	0.3
122.06131	7.2
145.07671	0.8
146.04918	0.5
147.05693	0.4
159.05672	2.6
160.06432	21.1
161.07216	12.7
171.05675	0.4
172.06442	3.6
173.07196	7.0
186.08003	1.8
187.07346	0.5
187.08817	5.9
188.09579	3.8
189.10352	16.2
192.05418	2.0
199.08771	0.6
204.05396	0.5
213.10504	0.5
214.07465	0.5
214.11099	0.6
215.08298	8.3
215.11664	1.4
218.06960	0.4
220.08524	1.8
229.08614	1.6
230.09378	0.6
233.09303	2.0
242.09329	0.7
252.96924	0.4
259.10742	0.6
266.09283	0.5
267.10104	4.2
279.10138	0.9
281.11771	0.7
282.12509	27.4
283.13449	0.9
294.12552	14.6
294.15649	0.7
295.13351	1.5
303.10010	0.4
306.12427	0.5
308.14020	2.8
309.14749	0.5
310.15646	18.7
325.07199	0.7
336.13608	16.6
336.17282	2.3
351.14597	2.2
354.14658	100.0
355.15073	1.6
371.15082	0.7
379.17773	0.8
380.16168	3.8
398.17258	41.6
405.15759	1.5
423.16785	16.3
449.18698	0.4
467.19525	4.6
505.20844	0.7
549.23578	10.9
567.24683	17.4
571.24091	0.4
667.28839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33372	0.2
55.88974	0.2
58.40406	0.2
66.30289	0.3
67.21018	0.3
70.90160	0.2
73.02930	2.2
83.63003	0.3
84.04571	0.4
86.02505	0.3
92.07626	0.3
92.10826	0.5
95.05042	0.6
96.95960	0.4
98.06136	1.4
102.61068	0.3
111.08082	0.3
112.04069	1.2
120.04558	2.0
121.05349	1.3
122.06121	0.7
124.04037	2.1
124.07661	0.3
124.55914	0.3
129.05574	0.4
136.07675	14.1
138.05594	0.4
145.07724	1.7
148.04045	4.8
151.00186	0.3
151.06372	0.6
152.07266	0.4
154.08749	15.0
160.06548	0.3
161.07219	0.7
162.05692	0.4
162.09259	3.1
171.09338	0.3
172.06418	7.8
172.07759	0.5
173.07201	42.3
177.76628	0.3
180.10275	1.2
184.09737	2.1
186.05534	0.4
186.07968	1.5
187.08783	1.4
189.06693	7.2
198.05595	0.6
198.07994	4.3
199.08760	1.8
200.07100	0.4
201.06693	1.2
203.08241	0.4
204.05379	6.2
206.08325	1.2
213.10242	0.7
215.04620	0.5
215.08366	2.7
215.11894	0.3
224.09299	0.7
228.06738	1.4
229.06094	0.5
230.06897	0.4
231.07738	0.4
243.07767	2.8
247.10892	0.5
251.69571	0.3
254.10448	0.4
258.07648	0.7
259.43484	0.3
260.09210	0.3
272.11606	0.6
275.10388	4.7
278.09125	0.5
279.10052	2.2
294.12521	100.0
295.12836	1.4
297.12558	0.5
301.08392	1.2
302.12772	0.3
303.09821	0.5
308.14066	1.7
320.14090	7.1
334.15848	3.3
336.13556	3.2
346.15662	1.4
368.16385	2.4
380.16013	0.6
394.17551	2.3
403.19043	2.0
404.19659	0.7
406.13647	0.4
412.18835	72.6
413.19382	1.3
438.16580	3.8
439.21396	3.0
457.22601	1.2
460.21136	1.7
475.23404	0.5
482.19479	2.8
504.23721	0.4
505.24393	1.3
513.24866	0.5
557.27777	7.9
575.28662	0.5
605.26556	0.7
623.30237	4.8
667.30341	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	667.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
64.60215	1.2
65.59238	1.1
83.62627	1.1
84.04581	2.0
87.00871	1.6
96.04572	6.8
96.96025	2.3
98.06115	1.2
99.33298	1.1
109.02984	2.0
111.20227	1.3
112.30232	1.2
116.92866	7.2
119.05001	1.5
120.04580	5.4
121.06615	1.9
122.06122	1.5
124.04050	3.1
128.07181	7.2
134.06100	1.5
136.07692	48.6
138.05618	6.5
146.06149	2.8
147.03288	1.1
148.04054	17.4
150.05612	6.2
154.08759	19.8
161.02354	2.7
161.04839	2.0
162.09235	6.1
165.47919	1.4
167.23537	1.2
172.07718	2.4
173.09662	2.0
174.04216	1.3
174.05605	7.4
175.05142	3.1
176.05917	1.4
179.08215	1.6
188.07231	1.5
189.06686	30.0
189.08066	1.9
189.10344	2.5
190.08820	1.6
191.08272	19.7
195.92886	1.3
200.07175	7.3
201.06656	2.8
202.08818	5.4
203.08234	2.1
204.10341	7.8
215.08313	7.8
216.10231	9.7
217.06256	2.0
227.12000	2.9
229.06129	5.4
231.07828	2.1
232.08572	2.6
239.15630	1.6
242.11864	11.5
243.07780	10.7
243.11499	2.7
245.12871	1.5
247.07152	1.9
247.10927	8.3
249.08542	1.6
257.08853	1.4
258.11292	4.8
265.13419	10.2
269.09274	6.5
271.10532	1.3
275.10489	14.2
283.14395	2.9
285.12439	1.9
286.12000	8.4
294.12354	1.6
295.14215	1.3
299.13986	3.2
301.11914	1.6
301.41843	1.6
311.12802	1.9
318.14606	6.9
331.16641	6.0
333.14795	2.1
337.15771	9.4
351.17239	11.7
355.16605	2.4
359.14874	5.9
369.18384	6.2
374.17120	6.4
389.16104	1.6
394.17896	1.6
409.63089	1.4
428.18176	7.1
445.18604	1.7
460.20975	100.0
472.20847	2.9
504.23441	11.7
623.27356	82.8
667.29865	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
63.49125	1.6
70.34736	1.6
77.53447	1.6
79.41563	1.6
82.02996	4.7
104.68015	2.0
112.04054	3.5
114.26683	1.7
120.04529	9.0
122.06094	3.2
123.04536	4.0
125.02438	3.2
129.05556	3.9
133.02997	2.6
135.04510	4.0
138.09258	7.7
148.04060	50.3
149.04802	2.8
150.05615	49.4
159.08122	2.5
160.02824	2.2
160.04013	13.7
161.02527	4.5
161.04814	92.1
162.05577	3.3
164.03545	11.2
168.06746	1.9
173.03575	11.8
173.06094	8.7
174.04314	18.3
174.05614	5.6
175.03848	2.7
175.05151	61.8
176.03516	10.6
176.05887	11.9
186.05487	7.5
187.06393	4.4
189.06664	3.4
190.07483	12.5
191.08208	13.4
194.04573	25.0
200.07138	3.1
201.07727	15.4
201.09515	3.6
202.03831	8.9
202.08772	20.8
211.07423	2.6
226.08791	2.2
228.06676	8.0
229.07491	2.9
231.07797	3.5
232.08479	10.3
233.09315	41.1
242.08275	4.4
243.07669	3.7
244.09843	100.0
245.06909	7.3
245.09323	15.2
246.07664	2.1
259.06882	2.2
287.10501	19.3
288.08765	17.8
305.11536	29.5
352.09341	2.3
370.10379	3.4
424.18875	3.0
454.19766	10.5
455.18390	13.6
472.20743	15.0
500.09924	3.8
500.16769	78.7
501.18134	2.1
637.25928	13.4
667.26538	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26108	1.1
53.85763	0.9
54.82739	1.0
57.03454	1.5
59.01385	2.8
64.88486	0.9
65.57664	1.0
79.05181	1.0
80.88041	1.2
82.02984	9.2
94.02982	1.3
96.04534	2.5
96.96058	1.1
109.02940	1.6
112.04044	1.5
119.05091	1.4
120.04559	4.8
121.06594	2.1
122.06133	5.1
129.05576	5.2
132.04536	1.6
133.03023	1.3
138.05617	1.3
138.09225	5.4
147.03337	1.3
147.04523	1.6
148.04060	51.2
149.04802	1.7
150.05623	40.5
154.05141	2.1
160.02841	2.0
160.04060	17.9
160.92531	1.2
161.02556	2.7
161.04829	91.3
162.05573	5.1
162.36885	1.3
164.03564	13.3
168.06650	2.7
172.05331	1.5
173.03593	9.5
173.06085	8.4
174.04324	17.0
174.05592	2.9
175.05139	66.9
176.03514	6.0
176.05923	8.4
186.05600	7.7
187.06407	2.0
189.06676	4.8
190.07454	16.4
191.08263	11.3
192.03024	1.7
194.04565	24.1
199.07748	1.5
200.07146	6.0
201.03056	1.4
201.07744	11.2
201.09512	2.4
202.03841	6.0
202.08824	19.3
211.07253	2.5
214.05046	1.5
214.11064	1.5
215.05911	2.2
215.08084	2.4
216.06657	5.9
218.08234	1.1
226.08704	1.2
228.06682	8.9
229.07442	2.4
231.07683	2.7
232.08563	12.5
233.09320	34.5
241.09894	1.7
242.08177	2.8
242.10509	1.7
243.09032	2.3
243.11176	1.4
244.09869	100.0
245.07001	2.6
245.09351	13.3
246.07782	4.2
270.07819	2.1
286.09668	2.3
287.07742	1.2
287.10623	17.4
288.08746	14.0
305.11447	26.2
309.08868	5.1
312.13522	1.5
313.12054	1.5
331.09201	1.7
352.09378	2.5
370.10526	2.5
370.17438	1.3
371.11020	1.6
381.18069	1.6
400.18695	1.5
424.18860	5.0
425.17010	1.7
426.17160	1.9
442.19852	7.8
454.19797	6.4
455.18503	11.4
472.20975	17.4
498.18875	2.4
499.15720	2.1
500.16797	68.9
565.23584	1.5
637.25433	10.8
642.99878	1.2
667.26306	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	667.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25903	0.3
58.99868	0.3
59.01394	0.5
71.01385	0.6
71.62547	0.3
72.99331	0.3
74.01127	0.3
75.00878	0.8
87.00891	0.4
89.48235	0.4
92.10873	0.6
93.03474	0.3
96.96000	4.3
113.02438	0.7
114.38120	0.3
115.59404	0.3
119.03596	0.4
119.05005	6.8
125.02391	0.4
133.02917	0.7
134.03757	2.6
135.04526	100.0
136.04816	0.5
145.02953	0.6
160.67586	0.3
161.02438	2.2
163.04012	5.2
163.61021	0.4
164.04349	0.6
177.01912	0.7
179.03502	81.5
187.03969	0.4
195.05075	1.5
211.07649	0.5
265.08893	0.4
281.06683	0.5
325.09354	0.6
327.08972	0.4
341.08783	23.6
567.86255	0.4
571.11041	0.7
576.50909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44526	0.6
54.80730	0.8
57.03463	4.7
59.01384	12.9
60.21114	0.8
70.36082	0.8
71.01376	11.1
72.99321	2.1
73.02938	1.1
75.00867	51.2
78.95903	1.2
84.02164	0.9
85.02932	6.9
87.00870	10.2
89.02449	4.0
93.49047	1.0
96.96004	19.2
99.00865	14.3
101.02450	1.8
111.00919	1.7
113.02459	4.3
129.01941	24.0
132.02164	1.8
133.02980	5.5
135.04553	1.7
137.02425	0.9
141.01964	1.1
159.02983	11.8
159.04317	2.4
160.01697	3.7
160.05348	1.3
161.02383	3.5
165.36012	1.0
172.05316	11.5
174.06712	1.2
175.03990	1.5
177.02040	0.9
179.03522	1.4
185.06085	4.1
187.04018	1.9
195.05112	100.0
199.04057	4.2
200.04846	1.5
205.16010	0.9
213.05652	6.4
227.03502	5.3
229.05113	1.2
283.13449	38.5
296.14297	1.0
299.16647	1.9
301.14557	13.4
325.10938	1.8
325.14471	3.4
326.11719	1.4
343.15643	4.9
345.13300	1.0
353.14301	0.9
371.15033	5.8
389.21606	1.0
389.38870	0.9
425.23346	1.8
443.24283	10.4
451.20999	1.6
469.22360	52.7
665.26654	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	665.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83118	2.0
57.03461	4.2
59.01395	12.9
60.50111	1.9
71.01405	9.4
72.99332	3.8
75.00887	30.2
78.95908	2.5
85.02963	11.7
87.00879	10.6
89.02512	2.4
92.53509	1.9
99.00906	3.5
101.02447	2.9
105.03458	16.8
109.02971	13.0
111.00970	2.4
121.02919	3.9
123.04545	5.1
129.01942	13.4
132.02176	2.5
133.02963	100.0
134.03766	48.2
135.04517	64.1
137.02463	31.3
139.04050	3.4
144.11378	2.3
147.04550	2.2
150.03282	3.8
159.03036	3.6
160.01660	4.0
161.02461	15.7
161.06059	3.1
162.03076	2.4
175.04092	2.5
177.01924	22.1
177.04062	11.0
178.02718	48.8
179.03503	36.1
189.05583	3.7
195.05109	45.0
291.19754	20.7
307.19205	4.2
309.20792	67.1
356.07599	4.8
425.23151	4.2
443.24551	37.8
469.22314	12.5
487.23474	12.5
555.44379	2.5
665.28241	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66062	2.6
57.03472	3.1
57.20845	2.4
59.01389	15.5
60.52720	2.5
70.91259	3.1
71.01405	3.7
85.02503	3.1
85.02962	19.1
87.00879	50.9
89.68611	2.8
95.01429	2.9
96.95998	50.7
101.02488	3.7
109.02981	4.1
113.02449	27.7
116.92805	3.4
133.02948	4.0
135.04614	3.8
153.01913	2.9
155.50836	2.8
161.02490	3.8
172.05309	18.7
185.06000	4.8
195.05118	6.3
197.06042	5.8
199.04002	11.1
200.04814	6.2
201.05585	3.6
215.08286	13.7
227.03503	45.2
228.04243	16.5
233.09367	3.1
283.13406	100.0
301.14496	27.3
309.14990	13.0
311.12860	13.9
325.14566	5.2
327.12512	24.2
327.15930	5.9
329.14108	6.0
330.14874	4.9
345.13428	17.3
345.17136	4.0
353.14069	17.3
371.10910	3.2
371.15039	88.6
414.35919	4.2
474.30878	3.0
489.17810	16.7
533.20551	13.1
577.19025	15.5
621.21588	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	665.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.2
58.92810	1.4
59.01139	1.4
59.01382	13.0
66.42501	1.5
69.49250	1.7
71.01375	6.7
75.00868	35.6
79.48817	1.7
85.02943	7.4
87.00864	3.6
89.02469	6.3
96.96011	6.8
99.00880	7.2
101.02433	3.4
119.03579	1.6
119.05028	41.0
129.01949	16.4
131.96828	1.6
135.04523	42.4
147.42952	1.7
159.02985	9.3
163.04021	45.4
177.04085	2.4
179.03514	45.6
195.05107	100.0
243.06477	2.0
323.13434	11.8
341.08774	24.1
502.43185	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	665.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34515	0.1
59.01385	2.8
71.01379	2.3
73.02946	0.2
83.01392	0.2
85.02957	0.8
87.00907	0.2
89.02444	1.4
91.93272	0.2
92.10768	0.4
96.96009	0.2
101.02431	3.8
105.03517	0.2
107.05032	0.4
108.02241	0.2
109.02963	1.3
113.02454	1.6
117.03458	1.1
119.03422	0.3
121.02948	0.4
123.04536	0.3
125.02455	0.3
132.02173	1.4
133.01915	0.5
133.02959	30.1
134.03757	3.7
135.04526	67.4
136.04898	0.3
137.02441	1.1
143.03679	0.2
148.05368	0.3
149.06094	2.5
152.86301	0.2
159.04404	0.4
161.02449	100.0
162.02789	1.0
163.04033	0.2
175.04024	0.3
177.05560	5.1
178.02713	0.3
179.03505	51.2
180.03859	0.2
184.53728	0.2
189.05637	0.2
203.03429	1.6
205.05089	0.2
207.06465	0.3
215.75014	0.2
221.04559	7.6
222.04776	0.2
233.04549	1.2
236.55186	0.2
251.05624	6.3
263.05585	0.4
281.06708	6.8
293.06732	0.3
305.06641	0.3
309.02502	0.2
323.07739	4.6
341.08554	1.4
503.14136	20.7
504.14322	0.4
665.17383	32.5
666.18231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16611	0.5
54.01085	0.4
61.98834	100.0
67.94167	0.5
72.13454	0.6
78.95925	0.8
89.84520	0.6
175.20979	0.7
363.00665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.5
70.19269	2.2
71.01385	5.3
74.34618	2.1
80.92905	2.4
81.03456	3.0
83.01422	3.3
85.02968	11.3
93.03464	13.3
95.17603	2.1
96.95996	5.8
101.02462	12.3
109.02950	54.0
111.00914	2.7
113.02472	5.0
121.02957	22.1
122.03747	4.8
123.04516	41.8
125.02477	5.7
129.01924	31.9
132.02203	2.4
133.02951	64.4
133.20503	2.3
135.04527	18.9
139.04053	19.9
145.02965	4.3
147.02951	2.6
147.04536	3.1
149.02464	38.6
150.03218	3.8
151.00375	11.3
151.03996	2.7
152.01198	5.9
153.01955	77.6
159.04524	5.0
161.02449	77.1
165.05507	2.4
169.01440	3.5
173.06055	4.0
175.04002	5.1
177.01913	5.7
177.05544	4.4
179.03526	4.0
195.03058	23.4
195.04796	3.6
201.05638	3.0
203.03522	4.6
211.07632	12.0
217.05110	2.5
221.04474	3.3
243.06561	4.2
279.05099	10.3
315.00540	2.6
414.12744	2.8
439.26349	2.9
475.08835	18.1
543.11517	17.5
587.10510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83606	0.9
51.64406	0.8
59.01379	13.2
71.01389	2.8
85.03002	1.3
88.98799	3.3
89.02479	1.2
89.28841	0.8
96.96026	6.0
101.02470	4.0
113.02467	0.8
118.98817	0.7
123.76354	0.7
127.07644	9.6
129.19254	0.7
150.78539	0.7
153.12825	1.3
161.04556	1.0
162.62863	0.7
169.12331	8.5
183.10283	31.7
193.69295	0.7
197.11848	100.0
198.12100	1.1
225.51686	0.8
235.08212	1.8
253.09332	9.4
288.56390	0.9
433.20920	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	662.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94997	1.0
61.30238	1.0
61.98835	100.0
73.38960	1.0
81.43123	1.1
84.53783	1.1
92.64915	1.2
97.74160	1.1
152.99623	1.4
161.68834	1.3
174.37146	1.2
183.68137	1.1
560.89917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27509	0.5
59.01382	9.0
65.35082	0.5
71.01382	3.3
72.99297	0.6
75.00881	0.6
85.02953	0.6
89.02474	0.5
93.03416	0.7
101.02455	0.9
105.01925	5.8
109.02956	19.4
111.00871	1.0
113.02464	1.0
118.19025	0.7
119.04996	2.7
119.94001	0.6
123.04543	1.0
124.01642	0.7
125.02393	1.1
129.01978	0.6
131.07132	3.5
131.08051	0.6
133.02951	1.0
135.04533	1.5
137.02411	0.9
137.23907	0.6
145.02953	1.4
151.04018	1.1
152.01164	17.9
153.01942	35.1
161.02429	1.3
163.04018	2.7
164.24509	0.6
167.03510	1.3
179.03514	0.9
191.05692	0.6
195.02998	81.0
198.81870	0.7
213.91920	0.6
225.04082	0.9
255.05121	100.0
256.05423	1.0
260.65213	0.7
296.07574	0.7
315.07254	13.4
411.09341	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	663.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.9
55.12862	1.0
57.03464	1.3
59.01389	9.1
61.98857	0.9
68.99819	1.4
69.03457	1.2
71.01395	4.6
72.45718	1.0
73.02938	2.3
76.57822	1.2
81.03484	2.0
83.01411	4.3
85.02961	16.0
87.00881	1.2
92.10224	1.4
99.00887	1.2
99.04517	1.9
101.02443	38.3
111.00902	6.0
113.02448	1.1
127.04063	1.4
129.01942	97.4
140.29317	1.0
156.77919	1.2
159.04506	1.8
160.05359	2.2
161.02419	1.0
163.33194	1.0
171.04552	1.2
172.05312	31.5
173.06102	2.5
183.04517	1.2
185.06076	11.3
186.06821	4.9
187.03981	5.4
188.04799	1.7
189.05569	1.1
197.06036	5.0
199.04019	8.8
199.07710	1.2
200.04820	9.1
201.05563	4.2
204.04314	1.8
211.03935	1.6
213.05583	2.0
214.06554	1.3
227.01321	1.4
227.03546	28.9
227.10785	1.5
228.04312	12.7
232.03926	1.7
240.39569	1.2
255.13860	2.1
257.15460	4.2
283.13440	100.0
291.07208	4.5
299.12619	1.5
301.14478	18.1
309.15015	6.4
311.12946	15.4
325.14410	5.8
327.12415	28.8
327.16074	6.8
328.13120	1.3
329.13904	10.6
345.13467	11.9
345.17245	4.2
351.16052	1.4
352.56592	1.3
353.14038	9.7
371.15097	49.7
371.19363	1.8
387.14606	6.9
387.46527	1.0
395.15167	2.2
413.16110	4.5
447.16785	4.0
455.17383	2.5
473.17639	1.6
489.18225	2.5
491.19400	7.2
507.18942	2.0
515.18890	1.5
533.20361	17.2
551.21173	6.6
575.21320	8.5
619.22571	1.8
663.23145	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	659.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01386	1.2
59.50935	0.4
59.56121	0.5
60.55498	0.5
71.01398	1.2
74.22603	0.5
83.01408	0.5
85.02948	8.0
87.00874	9.2
90.80750	0.5
96.96056	0.8
101.02450	1.3
109.02949	19.2
113.02454	15.0
125.02457	0.7
130.08667	0.6
132.02190	1.1
133.02954	29.5
135.04504	10.9
136.01685	0.7
137.02458	1.0
139.73839	0.5
141.91553	0.6
149.02451	0.8
151.04082	0.6
152.01198	2.9
153.00674	1.1
153.01947	48.8
161.02449	100.0
163.04019	0.7
175.04039	0.8
179.03526	6.4
195.03036	7.7
203.03574	2.6
215.55026	0.6
217.05170	0.7
225.04044	4.0
245.04575	0.6
253.82851	0.8
255.05130	3.8
279.05273	0.6
297.06207	22.5
323.04443	0.9
323.07718	4.4
400.38440	0.6
417.08701	0.7
421.39441	0.6
459.09412	7.0
477.10202	5.0
489.01202	0.6
547.11017	21.6
552.84296	0.8
564.58063	0.6
573.12347	7.0
591.13629	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82807	0.5
57.03463	1.0
58.95306	0.5
59.01369	5.2
60.69994	0.5
71.01402	4.2
72.99284	0.7
73.96506	0.5
75.00864	29.5
77.62925	0.5
81.01729	0.6
85.02967	3.6
87.00881	4.2
89.02460	1.3
96.32084	0.7
96.95960	0.6
99.00874	7.7
101.02434	0.7
111.00885	1.0
113.02477	0.6
119.05001	1.1
125.50564	0.6
129.01944	14.8
133.02960	2.8
134.03773	2.5
135.04518	18.1
141.01886	0.6
151.82825	0.5
152.36371	0.5
153.02029	0.8
159.02994	9.3
161.02454	0.6
163.04051	1.3
164.04306	0.6
177.04057	0.8
179.03519	9.1
195.05112	100.0
201.01740	1.1
213.03537	0.6
244.68633	0.6
357.08444	7.5
365.47913	0.7
389.63153	0.6
547.81250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.2
59.65104	0.8
64.34251	1.0
68.46962	0.9
71.01408	1.0
71.05876	1.0
73.02941	1.1
75.00873	11.0
83.96130	1.0
85.02961	10.6
87.00872	4.8
88.68058	1.1
92.10758	1.2
96.95995	2.1
109.02953	1.4
119.05027	74.3
135.04572	1.5
136.92316	0.9
145.03033	1.6
153.01944	1.4
154.31653	1.1
163.04016	100.0
177.04050	6.1
195.03070	1.6
195.05095	7.5
224.09491	0.9
255.05132	2.4
284.25104	1.1
341.08786	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13958	3.0
59.01377	7.6
94.65543	4.2
101.97851	4.2
150.06917	9.1
160.06436	9.7
163.07678	4.9
173.07210	7.1
184.06407	5.3
187.07376	4.7
188.09587	5.7
212.05992	17.6
212.09464	6.6
225.06631	4.6
253.06042	4.9
254.06673	6.3
255.07556	9.3
304.10715	7.7
307.07001	7.3
316.10764	5.7
318.12512	9.1
322.12064	4.5
325.08371	6.2
330.12500	8.4
332.13925	20.4
336.13821	5.6
354.14700	9.6
356.13788	22.3
358.11792	8.3
374.50687	4.5
376.12830	98.8
400.12457	6.1
410.10846	5.9
420.15518	100.0
428.12271	98.8
472.14734	33.3
495.36981	8.4
557.20544	57.4
571.21777	6.4
572.20551	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	656.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29639	0.8
51.37082	0.8
59.01387	10.2
59.53967	1.1
71.01395	4.9
76.64041	0.9
77.99780	1.0
83.01399	1.1
85.02975	1.7
89.02464	5.6
91.30267	1.0
101.02470	6.0
108.02223	1.3
109.02959	21.4
111.00877	1.5
113.02470	2.6
119.03517	2.1
123.00849	1.0
133.02977	31.5
135.04550	21.3
137.02501	1.1
151.84094	1.0
152.01170	6.2
153.01955	27.1
161.02458	100.0
175.03963	2.0
177.05605	2.0
179.03520	14.0
195.02992	16.5
203.03510	4.7
211.13449	1.1
219.77795	0.9
225.04192	1.3
255.05156	7.5
270.83090	1.0
298.12860	1.2
317.26831	1.3
351.61493	1.2
358.15146	18.2
383.18250	1.1
450.18027	2.1
457.47086	1.2
491.11099	1.2
494.16815	8.3
503.66000	1.2
520.18188	16.6
656.20056	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02900	1.3
50.45113	1.1
51.25500	1.0
57.03451	2.0
59.01383	3.0
64.80160	1.4
71.01390	1.5
72.51839	1.5
75.00869	7.0
78.42985	1.3
84.42232	1.2
85.02966	7.5
87.00887	2.8
93.62842	1.4
96.95982	5.6
109.02928	10.1
119.05027	72.3
123.04500	1.5
135.04585	1.6
148.58931	1.6
153.01976	13.9
161.02406	5.9
163.04013	100.0
177.01820	1.5
177.04062	2.5
179.03581	1.7
195.03322	1.3
195.05090	11.3
210.02780	1.4
211.22174	1.5
255.05141	2.5
298.29376	1.6
315.07339	5.0
341.08832	21.8
420.28442	1.6
624.19092	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	655.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23058	3.5
51.44419	4.2
51.76864	3.3
51.88084	3.3
59.01376	38.9
71.01389	22.3
73.02954	5.4
74.09873	3.9
75.00857	4.9
90.35711	4.5
95.40527	4.5
96.96004	11.0
97.06575	4.6
101.02441	6.5
109.06596	23.1
113.02425	6.1
125.09743	6.9
163.11345	9.8
163.45341	5.4
172.05672	4.9
181.12411	5.3
183.13939	6.5
185.11761	6.9
207.10301	57.1
211.13432	100.0
225.11272	24.0
231.14084	5.4
266.33762	6.4
351.93146	5.5
373.23630	8.5
383.22330	8.2
388.54446	5.2
401.23242	34.4
419.24237	7.8
428.59665	5.6
619.31317	6.3
637.32520	70.9
655.33081	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	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88649	0.7
59.01365	1.4
61.98832	25.0
64.34047	0.9
68.48499	0.9
70.07045	0.9
70.07425	0.9
93.03456	1.5
103.30225	0.9
107.01434	3.6
109.02972	8.8
125.02418	1.7
133.02936	4.2
135.00900	1.1
135.04532	5.6
137.02414	1.2
150.41055	1.1
151.00336	2.2
152.01172	2.1
153.01974	12.9
159.04547	1.1
161.02458	17.2
163.00374	3.9
163.04120	1.1
164.01022	1.1
167.05173	0.9
175.03978	2.2
179.03575	2.0
185.06123	3.8
187.03960	3.9
195.02966	8.9
195.04553	1.2
197.06195	1.3
199.04012	1.2
203.03586	5.9
209.63882	1.0
211.04019	3.9
213.05673	1.9
227.03537	44.8
229.05113	15.1
239.03468	3.6
241.05043	1.2
255.03011	73.4
255.04839	3.4
256.03629	6.6
257.04669	9.3
283.02490	1.0
284.03299	89.5
285.04071	100.0
286.04404	1.8
417.08023	1.6
474.35828	1.1
477.10229	10.8
575.13983	8.3
593.15222	90.5
594.15179	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	655.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79309	1.8
55.01893	1.9
59.01380	23.6
60.75656	1.8
63.65079	2.0
71.01398	14.0
73.02972	2.6
76.66502	2.1
78.33480	2.2
85.02982	4.5
87.00912	2.1
89.02455	3.7
95.05027	2.2
97.02955	3.8
97.06602	2.6
101.02448	10.9
103.50035	2.0
109.06577	19.0
113.02479	3.7
125.09746	2.9
161.04602	3.2
161.09668	2.8
163.11328	10.8
168.49631	2.4
183.13953	10.3
185.11864	9.9
186.84720	2.2
193.12454	2.3
207.08360	2.3
207.10318	59.0
209.12074	2.5
211.13431	100.0
225.11365	21.2
229.16377	2.3
233.11801	3.9
253.09319	9.4
281.13715	2.3
329.25095	3.3
355.23004	3.9
373.23877	7.9
383.22321	20.5
391.24948	4.6
401.23392	23.2
419.24506	13.4
609.32471	3.3
619.31012	4.5
637.32391	46.3
655.32935	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.34980	0.5
78.95926	0.8
80.21496	0.4
92.09857	0.5
96.99337	2.2
116.92857	5.8
118.82996	0.6
123.52354	0.6
136.84981	0.5
141.01714	36.4
142.38399	0.6
146.77715	0.6
152.99608	0.6
177.63161	0.6
247.92923	0.6
275.06448	0.8
277.21735	1.3
280.30716	0.6
311.16885	1.1
391.31808	0.6
428.79343	0.7
535.27753	0.7
537.17407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65135	2.0
57.03462	2.5
58.47356	1.7
59.01389	32.6
61.42784	2.1
61.55302	1.7
71.01388	19.8
73.02957	3.0
80.02700	2.5
81.03484	3.0
85.02946	3.3
87.00902	4.7
89.02441	4.3
92.10114	5.0
96.96006	10.2
97.02941	11.7
101.02445	14.8
106.05200	2.1
109.06589	34.1
111.54328	2.0
113.02445	8.6
121.06551	2.4
123.04462	1.9
125.02440	2.2
125.09760	4.4
133.02982	3.1
135.08180	3.8
142.02681	2.7
163.11282	22.5
179.10814	2.3
181.12303	9.2
183.13914	10.9
185.11835	13.4
203.42346	2.0
205.12469	2.5
207.10292	86.2
211.13445	100.0
221.15486	3.5
225.11360	38.5
235.08217	3.3
243.17165	2.2
251.70021	2.7
253.09309	10.3
256.88058	2.8
281.13651	2.5
316.99017	2.5
317.29550	2.2
339.23309	8.6
346.93457	2.4
355.22818	2.9
365.21399	2.4
373.23969	7.9
376.93570	2.4
383.22354	22.5
391.24878	3.2
401.23459	31.4
419.24365	14.6
461.20221	8.7
609.32922	9.0
619.31067	9.6
637.32440	71.3
655.33215	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76293	1.3
59.01390	20.9
59.89893	1.1
62.79547	1.0
67.25454	1.0
68.36109	1.0
71.01397	6.6
73.02943	2.2
73.63394	0.9
83.01415	1.3
85.02997	2.3
93.03471	1.7
99.93925	1.1
101.02429	2.7
106.58350	1.2
108.02216	1.3
121.02982	10.3
121.58403	1.1
122.03748	5.2
123.04533	4.9
133.02895	4.0
134.03741	22.0
135.04520	4.4
136.01657	100.0
137.02449	1.7
149.02458	17.2
149.06093	18.4
150.03235	47.1
151.04015	90.2
161.02415	5.9
164.04836	1.4
165.05571	46.2
178.02693	1.8
180.04329	1.8
181.05096	2.2
191.05444	1.2
193.05080	6.6
195.06677	13.0
217.05019	1.3
220.01056	1.1
228.84908	1.4
229.05063	1.4
235.04144	2.2
236.04826	2.1
241.04933	1.6
252.04210	5.4
255.06708	1.6
284.06900	6.7
299.09213	18.0
341.10635	1.8
359.11325	4.7
407.13495	76.5
408.13718	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18343	0.6
51.21535	0.6
51.70539	0.7
53.11289	0.7
55.10294	0.7
56.14232	0.7
59.01391	100.0
60.12883	0.6
61.98856	1.2
62.41233	0.6
63.74093	0.6
65.82715	0.7
95.59834	0.7
96.99336	4.2
99.92609	3.4
102.98907	0.8
116.92860	38.8
116.97226	1.0
139.74751	0.8
141.01703	35.3
270.05893	0.9
277.21814	1.6
302.95700	1.0
333.78836	0.8
535.27332	1.3
655.37524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
57.03460	1.3
58.00592	0.9
59.01384	45.2
68.99832	0.9
69.03477	1.2
71.01379	31.4
72.99303	1.1
73.02943	5.1
78.95912	1.4
80.96477	0.8
83.01378	2.0
85.02948	10.0
87.00874	5.5
89.02442	27.2
95.01382	1.8
97.02966	7.5
99.00941	1.4
101.02440	24.5
113.02440	12.3
119.03498	4.6
125.02465	9.1
131.03508	0.9
138.68517	0.9
143.03506	4.0
152.99614	1.6
161.04594	4.1
179.05573	3.5
205.19833	1.0
215.96034	1.1
221.06676	1.2
235.08264	10.2
253.09334	1.8
255.23318	100.0
305.08813	1.4
310.04749	1.0
323.10016	1.4
323.26703	1.3
343.25381	1.0
397.13547	63.3
415.14642	21.1
452.18076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
59.01385	8.4
71.01405	3.7
73.02970	0.7
74.06924	0.7
74.16249	0.6
85.02962	1.2
87.00882	1.1
87.04438	0.7
89.02441	0.9
100.27681	0.7
101.01382	0.7
101.02470	3.2
109.02937	6.1
109.06597	2.9
113.02465	1.0
131.70872	0.7
133.02979	1.6
134.03778	1.3
135.04532	100.0
161.02441	3.5
163.11299	1.8
165.32294	0.6
172.01688	6.1
185.11867	1.3
200.01222	3.8
207.10307	9.4
211.13443	13.1
224.69798	0.7
225.11374	4.0
228.00665	1.1
233.11909	0.8
253.09428	0.8
254.99362	1.2
256.00162	82.6
257.00882	1.4
270.01715	1.4
270.99588	1.7
271.02509	47.2
282.01880	0.8
297.03979	1.0
339.23212	1.3
373.24155	1.5
383.22351	4.2
392.05508	3.4
401.23303	6.5
407.07791	70.3
419.24402	1.6
422.09253	0.7
480.62900	0.8
528.82239	0.7
611.14337	3.8
619.31274	1.6
637.32434	9.7
655.33704	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57349	2.1
52.59319	1.9
54.82537	2.5
57.85514	1.9
59.01383	49.1
59.21601	2.6
61.79416	2.1
61.98833	2.4
71.01384	31.2
72.26244	2.6
73.02960	3.3
78.95896	3.2
83.01359	2.6
85.02948	4.5
87.00895	4.4
89.02441	29.1
97.02977	3.1
98.84091	2.2
101.02438	22.6
113.02461	11.6
119.03535	5.8
125.02495	10.0
143.03487	3.5
152.99596	3.8
179.05624	4.0
222.80341	2.6
235.08282	9.9
253.19843	2.4
255.23303	100.0
331.33389	2.7
348.42316	2.6
397.13525	67.4
415.14749	19.8
555.28290	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	653.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38734	0.3
54.82560	0.3
57.60607	0.3
65.83369	0.3
76.01382	0.3
78.95898	100.0
80.96517	0.5
81.76879	0.3
96.96937	0.5
102.06847	0.4
117.19934	0.3
125.30704	0.4
148.99023	0.4
149.00107	7.6
152.99597	2.8
153.57457	0.3
163.26756	0.4
179.01086	0.5
199.09779	0.3
205.15932	3.8
209.11816	1.6
248.52319	0.4
255.23283	2.7
285.12601	4.4
291.19608	1.4
307.19205	1.3
309.20825	6.1
325.20117	1.6
355.16754	3.6
380.65280	0.4
385.17953	1.7
447.13425	6.8
482.31982	0.4
583.54211	0.4
648.52155	0.4
653.30212	47.0
654.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04852	0.4
53.45816	0.5
58.42815	0.4
59.01392	2.9
112.04034	1.0
122.06110	7.9
136.07677	2.9
145.07721	0.8
154.08748	4.1
159.05664	1.1
160.06432	20.6
161.07219	11.3
162.09229	2.4
172.06427	3.3
173.07217	6.5
186.07990	3.2
187.08781	5.0
188.09633	4.6
189.10329	14.7
191.69640	0.5
192.05379	1.9
198.08154	0.6
199.08667	0.6
214.07539	0.9
215.08304	7.1
215.11787	2.0
220.08569	2.2
227.11874	0.5
233.09361	0.9
255.11356	0.6
267.10150	4.9
279.10168	1.2
282.12497	26.4
293.12119	0.5
294.09430	0.8
294.12537	13.2
295.13364	1.8
308.14111	5.3
310.15628	16.4
320.13986	2.3
322.15515	0.8
336.13614	15.2
336.17319	2.6
354.14630	100.0
355.14935	2.8
362.15094	0.6
380.16129	7.2
382.89258	0.5
391.19318	0.6
392.16223	0.8
394.17822	3.2
398.17236	45.1
399.17563	2.0
404.11508	0.5
404.19791	0.5
424.15192	2.0
432.51471	0.6
461.21921	0.8
468.18057	0.9
470.19836	0.8
499.23483	1.0
543.25970	2.3
561.27179	4.1
565.27234	0.6
609.29266	0.8
653.28113	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	653.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
63.66610	2.3
86.43652	2.2
92.05074	2.6
93.89964	2.3
96.04535	3.8
98.06113	3.0
100.28716	2.6
112.04076	34.5
118.55105	2.3
120.04544	33.4
122.06124	5.9
124.86085	2.4
126.35059	2.8
136.07692	51.0
146.06107	5.5
148.04063	77.7
154.08725	56.8
160.06392	12.7
161.04875	3.0
161.07239	9.0
162.05574	3.2
174.04306	4.1
174.09233	11.0
176.05963	17.8
184.09865	3.5
187.03572	2.9
189.06746	4.6
189.10361	4.0
200.07202	65.2
201.08080	9.4
202.08861	18.4
204.10359	17.8
215.08264	3.2
217.09859	100.0
243.07790	25.2
243.11298	9.7
244.06389	3.3
261.08826	29.4
282.12512	18.7
287.10324	5.1
294.12424	5.1
308.55185	2.5
310.15729	10.6
317.15164	3.7
336.13449	10.8
351.14578	3.7
354.14664	68.5
380.16315	13.1
398.17108	16.8
424.15115	37.1
428.18091	5.1
446.19571	28.0
455.22287	2.6
490.21616	5.0
549.23920	2.9
567.25146	4.0
591.24725	13.3
609.25531	43.8
635.26984	9.9
653.28613	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82195	0.4
59.01380	4.9
66.03487	0.9
71.01383	0.8
71.05003	0.5
72.04552	2.3
73.02943	0.6
73.36337	0.5
78.03518	0.6
81.03455	2.8
84.04572	2.6
85.06631	0.8
92.05069	1.0
94.02982	0.6
95.04990	0.7
96.04548	21.5
98.06144	1.0
104.50522	0.5
106.05936	0.5
110.02526	0.8
110.06136	2.0
112.04047	34.1
120.04543	13.5
121.05327	1.0
121.06596	6.3
122.06156	5.2
124.04057	3.2
124.07680	0.7
128.07153	7.6
131.05032	0.9
132.04585	0.8
133.06587	4.4
134.06100	3.6
135.04530	0.8
136.07675	31.5
137.07210	0.7
138.05618	5.8
146.06143	7.4
148.04053	32.8
148.07701	10.6
149.04837	3.0
150.05643	5.4
150.09248	2.4
151.06483	0.8
152.07146	5.0
154.08748	27.0
159.03221	2.8
159.04448	0.6
160.07674	0.7
161.04787	1.0
161.07230	0.9
162.04370	0.9
162.05562	4.8
162.09305	3.7
163.05164	4.0
163.08824	0.8
164.10777	0.9
168.06699	0.5
172.07751	2.2
173.07272	0.8
173.09709	5.7
174.04324	2.0
174.05608	26.0
174.09171	5.5
175.05098	2.7
175.06378	2.7
176.05891	5.1
176.07225	2.2
176.10732	0.8
178.08711	0.8
179.08287	2.3
184.09773	2.7
186.09282	2.4
187.08894	0.7
188.07214	2.2
188.10849	2.6
189.06558	4.5
189.08153	0.9
190.08759	5.2
190.12418	2.2
191.08267	23.5
192.06702	0.8
194.08234	2.0
198.09174	0.6
200.07217	5.4
200.10887	5.0
201.08066	0.9
202.08820	12.0
203.09598	6.6
204.10313	26.4
205.09796	1.3
209.09300	2.1
212.07281	0.6
215.08461	3.9
216.10323	3.3
217.06458	1.4
217.09834	50.6
218.10155	0.8
224.10808	2.6
226.08771	2.7
226.12428	0.7
227.09476	2.4
227.11972	2.1
228.10590	4.0
229.09895	0.5
230.08197	1.8
231.11504	0.6
232.08557	12.6
232.10793	1.1
234.11330	0.8
235.07265	2.3
235.10916	3.2
238.12355	1.2
240.10260	2.5
242.11934	17.5
243.07663	3.3
243.11473	7.0
245.12962	2.3
247.10884	36.9
255.15019	3.8
256.08771	0.7
256.13434	7.7
259.14514	0.6
260.12927	0.7
261.08823	16.0
265.13406	3.0
267.11441	0.6
268.16971	0.7
269.09363	3.0
270.10107	4.9
275.10257	0.6
276.14050	1.0
281.12839	0.7
283.14563	1.2
285.12479	16.1
285.15582	0.6
286.12082	2.3
287.10504	4.0
293.16629	2.9
294.15158	2.6
297.12546	0.7
299.14227	3.7
300.12527	1.0
303.13577	5.0
304.13077	4.6
308.13736	0.7
311.12781	0.8
311.17715	6.5
315.13828	0.7
317.15045	3.0
318.12302	4.1
333.14694	11.9
336.17188	0.6
337.15637	5.5
342.14685	2.4
345.13129	0.9
354.14658	2.8
355.12796	1.0
355.16727	2.7
360.15695	6.7
371.11243	0.7
374.17245	0.8
380.16217	2.6
386.17474	1.2
398.17166	2.2
416.18326	5.0
424.15363	1.0
428.18146	8.3
429.16800	3.3
431.16617	0.6
446.19397	100.0
447.19675	2.1
472.21439	10.1
490.22067	11.1
495.46268	0.6
499.23508	1.0
517.24365	0.7
579.24731	0.7
591.24738	1.2
609.25745	90.9
610.25983	1.2
635.27283	4.3
653.28473	23.7
653.39667	0.9
654.28473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25945	1.6
56.38802	1.4
59.01418	2.3
64.34061	1.8
65.22364	1.7
78.46437	2.3
80.96529	6.9
96.95986	1.7
105.02207	1.9
122.06144	3.0
134.06151	3.0
135.09319	9.7
136.07701	3.2
138.09256	1.9
148.04047	3.5
161.07202	3.7
162.05655	3.3
163.08774	3.5
189.06796	3.1
207.07784	8.8
215.08243	3.4
215.38921	1.8
223.08914	3.2
227.08255	3.6
241.06165	3.1
241.09862	7.4
242.06950	16.7
243.07811	24.5
251.08350	6.5
252.09218	6.9
253.06239	3.0
253.09784	3.1
254.07172	6.4
255.07797	29.4
255.10574	2.2
255.11298	1.8
256.08521	10.6
257.09387	4.3
264.09021	2.4
265.09784	13.7
265.13672	2.2
266.10638	38.3
267.08493	2.5
267.11444	21.9
268.08475	4.1
269.09293	24.7
270.10141	16.1
271.11105	7.7
283.10962	9.9
284.11694	11.1
285.00589	2.3
285.12448	9.8
311.10461	2.2
314.08975	6.2
315.09811	14.2
327.09818	2.9
329.11572	12.0
330.12943	2.3
344.10361	3.8
344.14026	3.0
358.12238	2.3
359.12607	2.2
360.13678	7.9
372.13531	22.8
373.14417	3.0
376.13065	2.5
386.14999	8.8
387.15955	9.0
388.16702	33.8
414.14722	2.4
432.15771	48.8
449.15948	2.6
450.16791	31.1
466.19855	2.6
496.21045	21.1
587.25159	6.8
617.26288	100.0
653.28955	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	653.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	57.5
71.01385	56.7
72.47034	9.0
82.46587	8.3
85.02965	14.9
87.00880	10.1
92.10181	13.5
96.96014	100.0
99.00830	8.9
101.02465	12.5
113.02479	14.8
121.02951	10.5
122.74674	9.6
132.35603	9.3
133.02911	10.8
134.03731	19.6
141.08897	10.4
148.04027	15.8
149.04839	12.8
150.05560	21.0
161.04668	10.4
162.05577	41.9
174.04335	45.9
177.19832	9.1
190.07521	20.4
221.08220	54.8
231.07835	10.1
232.08488	48.1
241.13887	9.5
310.21844	11.6
369.22971	10.9
380.16132	68.7
381.11908	19.2
449.19083	12.6
454.19958	51.4
543.17334	75.3
594.14960	11.4
617.26068	68.6
639.60248	10.6
653.23895	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82147	1.5
55.01885	8.3
57.03454	3.7
59.01380	55.9
64.78844	1.5
71.01380	68.9
71.05016	2.8
72.99306	2.0
73.02943	24.8
75.00892	2.1
83.01389	11.0
85.02948	40.6
87.00886	12.5
89.02433	19.1
95.01362	6.3
96.95995	9.3
97.02885	1.7
99.00875	10.3
101.02441	48.7
103.00434	1.8
112.98785	2.7
113.02445	30.8
115.04002	47.5
119.03583	5.3
119.05027	60.1
120.05392	1.6
133.02960	2.1
135.04520	2.0
149.00909	12.9
149.06125	3.2
150.03183	3.6
159.03020	2.9
161.04556	24.9
163.04015	100.0
163.05396	3.6
164.04399	2.1
165.05521	2.8
179.05615	3.8
195.05070	8.5
233.10297	17.7
277.09320	90.0
282.58743	1.8
295.04636	22.6
344.33755	1.7
354.96976	1.6
494.13962	1.6
549.00177	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	653.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
59.81974	0.3
71.01409	0.4
72.99305	3.9
75.00875	0.8
76.57368	0.4
78.02309	0.3
78.95877	0.3
87.00870	13.2
89.02448	0.4
91.05502	0.4
103.00379	3.4
105.01932	0.4
107.05028	2.3
112.98807	0.7
119.04951	0.4
124.58414	0.4
128.04269	0.4
130.99898	0.4
133.02983	0.5
134.03735	5.7
135.04521	98.3
136.04875	0.9
146.56880	0.4
149.00917	73.6
152.87917	0.3
159.02968	0.3
179.03500	100.0
180.03867	0.7
189.65121	0.4
195.05119	3.2
311.04132	14.1
311.09735	0.6
561.21008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
67.83599	0.7
71.01399	0.7
71.10368	0.6
74.08249	0.6
77.34920	0.6
77.54194	0.7
80.33028	0.6
80.96522	1.1
85.02973	0.8
92.10836	0.9
93.03447	9.0
96.96027	1.1
104.86454	0.6
107.41090	0.6
113.02431	1.0
116.43317	0.6
119.05013	32.0
120.65336	0.6
133.02937	0.9
137.02420	1.1
161.02478	1.3
185.02429	4.5
189.10295	0.6
197.02495	1.4
201.01913	2.7
213.01973	7.0
229.01442	8.5
241.01488	11.2
256.00125	0.8
257.00958	12.1
258.01611	1.2
259.02420	2.2
282.87387	0.7
283.02667	1.1
283.99689	3.2
285.00436	100.0
286.00900	1.0
291.78275	0.7
299.02051	2.5
311.02042	15.4
329.15851	0.7
354.14536	0.7
405.06204	99.5
406.06625	1.3
609.12665	1.3
635.26318	1.0
653.28534	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	653.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49638	0.3
54.72385	0.3
58.64353	0.3
59.01383	6.0
67.06533	0.3
69.08105	0.3
72.99301	1.9
75.00874	1.9
83.75974	0.3
84.99310	0.6
87.00875	11.0
87.01350	0.4
88.12103	0.3
92.10175	0.9
95.81746	0.3
97.28759	0.3
103.00386	3.0
103.79723	0.3
105.01961	0.4
111.88976	0.3
112.98805	5.4
116.46859	0.4
119.05019	71.5
119.23312	0.3
129.01944	0.6
130.99876	0.8
133.02948	2.1
135.04532	1.2
140.54573	0.3
149.00920	33.8
151.53848	0.3
163.04012	100.0
164.04373	0.5
175.25066	0.3
180.75241	0.4
195.03340	0.5
195.05133	4.3
279.67441	0.4
295.04611	23.4
306.98520	0.3
421.65710	0.4
565.88043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67200	2.1
70.54362	2.5
78.95905	87.6
89.17050	2.0
93.19303	2.2
96.96983	9.7
152.99602	74.3
153.00789	3.9
159.25208	1.8
191.19981	2.0
200.20198	2.1
201.59528	2.3
209.11879	33.0
255.23297	100.0
303.98883	2.4
309.54160	2.4
358.75327	2.1
391.22638	13.1
398.41275	2.3
409.23630	3.7
619.36340	41.9
651.38849	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	651.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11404	0.6
51.93760	0.6
59.01391	1.1
71.01387	1.2
73.02950	2.0
82.01213	0.9
85.02910	1.1
92.10809	2.0
94.03010	1.0
96.04539	0.9
96.96037	1.2
108.04558	1.0
109.02982	1.7
113.30247	0.8
119.04987	1.3
120.04556	5.0
122.06125	2.0
133.02991	1.1
134.06133	3.5
135.04579	0.9
136.07678	35.1
138.05542	1.1
138.09259	6.3
147.03276	0.9
148.04057	29.8
149.04781	0.9
150.05611	28.2
153.01979	2.0
157.06613	0.9
158.06155	1.1
159.05624	1.0
160.04088	3.6
161.02499	1.4
161.04843	14.2
161.07150	1.4
162.04330	2.8
162.05595	10.2
163.05087	1.1
172.03996	3.1
172.07608	1.0
173.03476	1.4
173.04836	9.8
174.04233	1.4
174.05612	20.1
175.05093	3.2
175.06400	8.2
176.05896	15.5
176.07236	1.6
177.06686	1.3
179.08267	10.1
180.06662	1.8
184.07713	1.5
186.05592	12.1
187.06390	9.4
188.07196	8.9
189.06703	33.6
190.07478	42.2
191.08273	9.9
192.06688	0.9
195.02997	1.1
200.07204	11.6
200.79506	1.0
201.06697	4.5
202.07471	6.7
202.08781	6.1
203.08313	8.4
213.04305	1.6
215.08167	1.4
215.50285	0.9
216.05412	3.2
217.06186	5.1
217.09834	3.7
218.08261	1.2
227.05902	1.2
228.06700	37.7
228.10196	1.6
229.06076	8.9
230.07053	4.2
243.07738	12.3
243.15973	1.4
244.08510	37.2
245.09334	100.0
249.03586	0.9
252.02342	0.9
260.09286	38.1
261.09906	1.1
271.07230	5.3
271.10898	1.6
272.09375	4.4
275.10367	4.1
276.11191	8.0
277.11948	26.9
287.14111	1.2
289.11935	15.9
303.09921	21.8
303.13226	1.8
304.11954	10.6
315.09903	1.8
321.14578	4.7
328.16718	1.6
347.12473	8.0
354.14697	1.2
382.17664	6.1
396.15591	1.2
403.23782	1.0
408.15686	1.8
412.18787	1.3
414.20425	11.1
439.17636	4.0
440.18335	52.3
444.21436	14.8
452.18344	10.8
484.21005	34.6
488.24066	5.4
577.26434	6.6
607.27966	23.5
651.30579	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	651.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.2
64.34306	0.9
66.75673	0.8
69.03531	0.8
71.01386	1.9
82.03004	0.8
83.01414	1.3
85.02943	1.8
96.04562	1.0
96.96014	1.5
101.02454	1.3
108.95005	1.0
109.02977	1.9
109.51768	0.9
113.02457	0.9
113.64392	0.8
119.05032	3.5
120.04567	1.5
122.06137	4.2
123.04512	1.3
124.04005	1.1
125.02486	1.2
129.01967	1.2
133.02979	4.8
135.04539	3.7
136.07701	6.6
148.04103	2.1
150.05646	1.6
153.01932	1.8
154.08751	5.7
159.05641	2.0
160.06415	12.7
161.02499	8.1
161.04773	1.6
161.07190	18.4
162.05664	1.7
162.09280	1.2
167.03474	1.6
172.06416	3.6
173.03545	3.6
173.07224	10.6
175.05142	1.5
186.07870	1.6
187.08766	5.9
188.09508	2.1
189.06758	1.3
189.10327	7.5
199.08844	1.2
201.06621	1.6
202.07420	6.4
203.08322	7.9
213.06636	3.6
214.07484	1.5
214.10986	0.9
215.08290	18.9
215.11763	1.2
217.09779	1.4
229.06195	1.0
229.09930	2.0
233.09369	5.8
239.11960	1.1
241.04909	1.5
241.09821	4.5
242.08447	1.6
242.10719	1.0
243.07878	1.4
243.16121	1.5
255.11478	1.8
265.05002	1.7
267.10181	2.0
269.04633	1.8
281.11801	1.3
282.12537	17.0
284.10504	1.0
285.08734	1.3
294.12524	20.2
303.09732	1.3
308.14087	3.3
310.15616	7.5
314.15256	1.0
320.14142	1.7
324.13562	35.9
336.09781	1.8
336.13574	23.1
336.17294	1.5
347.12628	1.3
350.15244	1.0
354.14664	33.0
358.14194	8.4
362.15549	1.3
373.07364	0.9
378.14655	1.1
380.16495	3.2
384.12140	1.7
393.15689	1.5
394.17642	0.9
396.15677	100.0
397.15967	1.5
399.05127	1.2
401.06732	1.7
403.23416	4.1
419.07886	4.5
465.17926	1.9
466.16147	5.5
484.17090	10.5
488.20190	3.6
541.24438	1.3
547.22028	3.3
559.25763	5.3
565.23187	8.1
607.27948	5.7
621.25775	6.6
633.25153	1.2
651.26794	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	651.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01929	1.2
55.41787	1.2
56.24342	1.2
57.03448	1.4
59.01377	1.6
64.84419	1.5
69.51891	1.4
71.86017	1.2
72.80684	1.3
73.21484	1.4
74.68146	1.4
74.93875	1.3
75.00914	1.8
85.02975	1.5
92.10887	1.8
93.03456	1.5
104.22215	1.5
109.02943	5.6
115.00331	2.4
117.41724	1.5
119.05021	100.0
121.02917	1.9
125.02441	3.1
133.02951	3.1
135.04547	6.5
137.02412	2.2
149.06085	9.5
161.02452	9.2
163.04005	67.1
172.56125	1.6
177.02010	3.2
179.03494	3.1
186.16911	1.6
195.05090	2.2
219.02939	1.9
242.85147	1.5
248.03203	1.7
325.09393	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	651.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
58.18233	2.3
59.01404	9.4
63.32081	2.2
64.34123	2.4
65.27510	2.2
65.92757	2.3
69.06105	2.3
73.02956	3.1
74.47012	2.4
82.03004	5.4
87.00899	3.2
96.96004	3.3
101.02457	3.6
112.04089	8.7
119.05025	6.1
124.58932	2.6
129.05534	3.0
134.06079	3.0
136.07669	32.7
138.05598	3.1
148.04056	15.9
150.05550	3.8
154.08786	24.5
161.02458	12.7
161.04826	15.7
161.07141	25.2
162.05609	10.8
162.09270	13.4
173.03577	26.3
173.07222	14.8
174.04335	4.7
175.05173	15.4
176.05840	3.0
177.05237	3.1
180.10280	4.7
189.06662	4.5
189.10364	5.8
206.08133	3.9
213.06622	3.3
213.10310	3.7
215.08298	100.0
215.11836	11.9
217.09822	10.3
224.09325	5.2
229.13496	3.3
231.07832	6.1
233.09319	36.5
241.09897	34.7
242.08238	18.1
243.07866	6.0
243.16110	3.4
244.09769	10.8
254.10396	5.9
255.11388	12.6
259.10883	4.2
285.08859	12.2
303.09872	15.8
323.13947	4.3
347.12399	3.7
378.18250	9.6
396.15509	44.4
396.19513	3.6
416.18347	3.4
422.17288	4.6
466.16000	13.9
471.48807	2.8
488.20383	14.6
651.26904	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79347	0.6
57.03479	0.7
59.01387	20.1
64.38513	0.7
64.85159	0.7
69.22718	0.7
71.01388	6.5
72.99325	1.2
75.00877	10.5
78.95922	1.4
79.23808	0.7
85.02955	6.2
87.00889	3.6
89.02466	3.9
96.96003	5.1
96.96954	2.8
99.00919	1.1
100.32748	0.7
101.02465	1.4
113.02464	1.5
115.00352	0.7
119.03534	1.1
119.05013	10.1
121.02954	100.0
129.01964	6.0
133.02975	1.3
135.04521	8.5
159.02998	2.9
163.03983	6.2
177.03998	6.3
179.03534	1.3
179.05611	1.2
181.05070	51.4
195.05116	16.6
196.05400	0.8
212.40504	0.8
247.77718	0.7
254.92079	0.8
341.08832	1.5
359.09869	29.7
657.52307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05451	3.5
56.75688	4.1
59.01383	24.4
60.82631	4.6
71.01385	7.5
73.10908	4.5
83.05032	5.6
85.02956	21.1
99.04546	4.7
111.00888	4.8
113.93422	5.5
117.57765	5.4
125.06045	5.7
125.09670	7.2
135.08156	7.1
143.60460	4.4
153.09244	6.3
153.61499	5.1
163.11299	7.9
171.10239	10.8
185.11740	5.7
191.14360	5.2
197.11826	7.4
207.10190	6.9
208.83696	4.9
209.11847	100.0
233.44353	5.0
238.61314	4.9
245.19043	9.8
255.23268	5.6
283.13391	9.2
287.16391	6.2
289.18164	17.8
305.17633	44.0
307.19092	43.8
323.18665	10.7
325.20230	21.4
340.61700	4.7
358.17331	5.1
604.37793	5.4
613.37677	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	649.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
61.67686	0.1
65.99862	0.1
73.02946	1.1
78.95908	0.2
83.80801	0.1
84.04546	0.9
85.02948	2.2
85.03386	0.1
89.95753	0.1
90.90099	0.1
93.70499	0.1
94.44482	0.1
96.96010	0.3
99.04511	0.1
101.48215	0.1
120.04562	0.1
122.06125	0.5
123.99899	0.1
132.04529	0.3
143.34882	0.1
145.07709	0.8
151.04039	0.2
153.88562	0.1
159.05640	0.8
160.01717	0.1
160.06450	0.4
161.07181	0.8
167.10765	0.9
167.39389	0.1
171.05701	0.9
172.06439	8.1
173.07202	41.1
174.07608	0.2
185.07239	0.1
187.08717	0.2
196.06392	1.5
197.07230	1.3
198.08044	0.3
199.08815	0.2
204.05421	6.7
213.06761	0.2
214.07562	0.3
215.08281	2.1
215.11624	0.1
223.07501	0.8
224.05974	0.5
224.08331	0.5
225.06743	3.0
228.05544	0.2
239.08089	0.2
245.09462	0.1
246.15530	0.1
247.10822	0.3
251.11987	0.2
253.09312	0.7
255.06541	0.2
256.04868	0.8
278.09369	0.5
279.10150	2.1
294.12524	100.0
295.12787	1.4
308.10620	0.1
308.14050	0.2
318.12454	1.3
319.13257	0.2
334.15659	0.2
336.13672	3.0
345.13589	4.0
346.11984	3.3
347.12744	2.4
353.23489	1.7
360.13626	0.2
368.16263	2.2
371.14996	0.2
380.16159	1.4
387.46600	0.1
392.16174	0.2
403.14194	0.3
412.18829	60.8
413.19388	0.9
418.18094	0.2
420.15567	1.1
431.17068	0.9
445.19421	0.2
463.19995	0.5
464.18387	0.3
465.20712	0.2
487.23557	0.2
549.23761	4.1
564.23706	0.3
575.44568	0.1
649.28943	9.1
650.28802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32495	1.2
59.01382	4.6
60.72029	0.9
71.01402	1.1
72.25406	1.0
78.95908	1.4
81.36960	1.1
88.98796	1.2
95.03781	1.7
96.96007	5.8
114.63813	1.2
116.15351	1.1
124.07713	2.1
133.02989	9.8
134.03777	1.4
134.06114	2.5
135.04512	2.1
136.07678	26.0
138.09268	10.5
148.05318	1.5
160.06511	1.2
161.02423	4.3
162.05597	2.7
164.10812	23.8
173.07230	2.2
175.08783	4.8
177.01917	1.2
179.03497	1.4
185.07184	1.8
185.10838	2.3
188.09546	5.4
189.10355	2.6
197.10825	1.8
199.08755	5.2
199.12448	24.7
201.10361	2.6
208.09842	10.9
211.74619	1.1
213.06705	11.7
213.10339	2.3
213.13936	4.5
214.07535	10.1
214.11140	5.0
215.08359	10.1
215.11880	8.9
216.12706	1.3
225.10414	20.2
227.08267	17.4
228.12776	1.9
229.09796	19.2
229.13284	1.5
238.11002	1.8
239.08260	2.7
239.11897	20.0
240.09126	10.6
241.09836	43.9
242.10570	8.5
243.11378	1.4
247.10928	5.7
253.09674	1.5
254.10605	4.9
255.11461	16.1
268.08475	2.4
269.09363	11.9
269.12790	5.1
273.12531	2.4
275.14142	9.7
283.10858	2.0
285.09082	1.7
287.13815	1.8
299.10403	8.9
301.11978	100.0
308.17691	2.5
317.11359	2.0
319.13022	52.4
333.14722	2.0
336.20996	1.9
345.10886	1.7
362.18719	26.6
371.15167	2.1
380.19775	5.1
383.17752	1.3
406.17822	7.2
438.20325	21.3
456.21539	41.6
468.21249	2.5
482.19238	9.7
486.22754	8.2
617.37769	1.6
619.27808	69.8
620.28802	2.1
641.34253	1.3
649.28973	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	649.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
71.01367	0.4
73.02953	0.8
73.86301	0.3
84.04566	0.4
85.02926	2.6
96.96027	2.0
122.06116	0.7
133.02939	1.8
135.04527	0.5
137.88411	0.4
145.07687	0.8
159.05652	0.7
161.02464	0.6
161.07202	1.6
172.05115	0.4
172.06462	6.8
173.07199	42.6
196.06418	1.8
197.07372	0.7
204.05444	7.2
215.08267	1.9
223.07541	0.8
224.06052	0.5
224.08235	0.5
225.06647	2.4
279.10229	2.1
283.93112	0.5
294.12518	100.0
295.12808	0.5
308.14188	0.4
318.12375	0.7
336.13620	4.0
345.13614	3.7
346.12036	2.3
347.12805	2.3
368.16168	1.9
380.16309	0.6
408.67404	0.4
412.18820	63.5
431.17264	1.7
463.20349	0.4
549.23401	4.4
564.23297	0.5
649.28851	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.0
61.98860	0.4
66.92372	0.4
71.01389	2.1
73.02962	0.5
78.95914	0.9
83.53861	0.4
96.96008	2.6
96.96976	0.7
101.02494	0.7
109.02998	0.5
109.35007	0.5
122.06116	1.8
130.34053	0.4
133.02927	0.9
137.02437	0.6
142.65201	0.5
151.00375	0.5
161.02409	0.9
172.06468	0.6
173.07204	8.8
173.10841	0.9
186.04332	1.8
186.06367	0.6
186.07942	4.1
186.52043	0.5
187.08720	3.6
199.08885	3.9
212.09610	0.7
213.06937	0.5
213.10446	0.8
214.07581	1.0
214.11238	3.2
215.08327	9.8
215.11847	7.4
241.09747	2.1
246.10251	0.5
253.09106	0.6
258.10068	2.9
259.10913	6.8
268.10745	0.7
283.09656	0.6
284.10596	0.5
290.09070	5.9
294.12473	5.7
308.14102	2.2
320.13953	1.0
321.14804	0.9
327.12311	3.7
328.13058	0.8
336.13559	4.0
336.17252	3.2
353.13858	0.8
371.15079	0.6
380.16187	100.0
381.16354	1.8
406.17743	0.5
407.17245	0.5
449.18292	14.0
487.23553	0.7
531.22577	13.3
549.23621	12.8
605.30017	2.0
649.26849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93005	0.4
59.01391	3.1
64.34312	0.5
71.01407	0.7
71.99023	0.4
89.02444	0.7
96.96008	2.7
101.02428	0.5
109.02911	0.6
119.77296	0.5
122.06116	0.5
132.06966	0.6
133.04089	0.6
136.07658	5.2
145.07744	2.9
146.04903	1.1
147.09268	3.1
148.04054	2.6
149.04852	0.5
150.05618	2.2
151.04068	0.6
153.01933	0.5
159.05653	1.1
160.04025	0.7
160.06424	3.1
161.02415	0.5
161.04758	0.9
161.07071	0.5
162.05615	2.2
172.05327	0.9
173.07166	2.1
174.04305	2.2
175.08771	9.8
177.06696	2.9
185.07271	0.8
186.05626	2.3
187.08894	0.6
188.05867	3.5
188.07310	9.1
189.04887	0.4
189.06624	3.6
190.07446	0.7
192.05406	0.7
201.06693	12.6
201.08319	0.7
203.08284	72.7
204.08815	1.1
209.11842	2.8
213.06757	2.2
215.04524	1.8
215.08276	0.6
227.08272	5.3
228.05409	3.6
229.06190	100.0
230.06648	2.2
231.07776	11.2
232.06219	0.7
232.08481	1.1
244.08478	1.1
246.07741	0.6
247.07245	46.5
249.08861	5.2
253.09518	0.6
255.07889	0.9
256.08420	0.7
269.13000	0.7
283.13504	3.2
295.10242	0.6
300.68839	0.5
324.13461	0.6
371.15109	1.9
378.14813	0.7
396.15659	2.1
398.16357	0.5
410.13632	51.3
411.14148	0.6
412.15244	13.2
436.18777	0.7
437.17172	2.1
450.16983	0.6
454.20081	3.1
464.18460	0.6
491.19345	0.5
631.24182	0.7
649.24384	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	648.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	0.6
59.01392	4.5
87.00872	1.6
113.02558	0.7
115.05541	5.5
116.05073	1.3
119.05055	1.2
125.02428	0.7
128.05064	0.8
130.06625	8.8
132.04535	3.2
133.02911	1.0
135.04524	9.0
141.26744	0.7
144.04585	3.9
146.06094	5.5
158.06119	100.0
159.06384	0.8
161.02470	6.4
162.02824	1.2
163.03990	1.1
174.05611	31.5
179.03484	2.7
191.05614	2.6
192.06009	1.0
202.05124	62.6
202.59525	0.7
215.81908	0.7
220.06171	4.1
262.07227	13.0
294.79602	0.9
341.09045	0.9
412.09320	0.8
424.50467	0.8
430.09106	0.8
456.12183	1.0
582.80438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57487	1.4
75.00873	2.7
76.06476	1.2
78.95917	2.1
85.02973	1.5
86.05367	1.4
87.00917	2.5
116.92866	19.9
116.97300	2.2
133.02972	3.5
134.03751	25.7
135.04529	100.0
137.02412	2.6
161.02469	1.7
177.04048	1.9
178.02747	6.7
178.70644	1.5
179.03488	21.8
291.19824	1.8
425.23065	7.2
469.22302	13.2
630.06763	1.6
647.27582	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55426	0.5
58.63504	0.6
59.01383	7.5
61.98822	1.2
68.99821	0.7
71.01392	4.1
71.79500	0.5
73.02930	0.7
74.36269	0.5
76.79856	0.6
82.03247	0.7
85.02958	2.9
89.02461	0.9
92.10777	2.3
95.01398	1.1
96.96021	3.8
101.02489	0.8
106.76502	0.7
109.02971	1.4
111.00868	0.8
113.02467	3.0
133.02969	0.8
134.03760	0.8
135.04536	1.1
145.79825	0.6
159.04497	2.9
160.05312	2.9
161.02411	2.3
172.05309	22.0
173.06110	3.0
174.03018	0.7
185.06081	10.8
186.06819	1.3
187.04074	5.3
187.07576	0.8
197.06126	3.2
199.04045	2.8
199.07700	1.0
200.04784	4.2
201.05663	4.8
201.11325	0.7
202.06380	0.8
204.04283	6.0
211.04008	0.9
214.06401	1.3
215.07172	0.8
227.03526	18.9
227.10616	0.8
228.04317	8.1
229.05141	1.0
241.05127	0.9
241.12430	0.8
245.04579	1.0
255.13971	2.6
257.15417	2.9
267.13989	0.8
283.13422	100.0
297.15030	0.9
301.14487	27.9
309.14951	10.4
311.12952	7.5
325.14462	2.8
327.12399	26.3
327.16077	8.0
329.13959	5.0
345.13440	16.3
345.17178	9.5
353.14063	8.2
369.13440	4.7
371.15033	44.2
387.14520	23.6
389.16339	1.1
399.14545	0.7
413.16141	0.9
417.15460	2.9
431.17072	3.0
446.35626	0.7
447.16672	12.1
461.18329	8.8
489.17749	0.7
491.19342	29.2
507.18607	6.3
533.20795	0.8
545.52173	0.8
551.21436	19.1
603.20636	5.5
611.32837	0.7
647.23303	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19166	0.2
51.76004	0.2
55.01421	0.2
57.03448	1.9
57.50291	0.2
59.01373	4.9
71.01376	3.5
72.99321	1.4
75.00867	27.3
83.01395	0.3
85.02949	2.6
87.00876	4.3
89.02445	2.2
99.00877	8.8
101.02421	0.4
101.19030	0.2
109.02943	0.2
111.00870	1.3
119.04963	0.3
129.01941	16.5
133.02943	0.6
134.03716	0.4
135.03491	0.5
135.04527	12.9
141.01985	0.6
143.59045	0.3
153.01949	0.3
155.29005	0.3
159.03000	10.3
161.02399	1.3
163.04013	0.5
177.04074	1.1
179.03500	5.9
193.45883	0.3
194.07085	0.3
195.05110	100.0
196.05498	0.3
203.07854	0.3
357.08331	11.6
415.84821	0.3
432.02930	0.3
663.47656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.4
59.01386	4.4
59.95921	0.6
71.01392	1.4
73.02953	1.0
75.00870	9.4
83.01389	1.6
85.02943	1.2
87.00883	1.5
88.48392	0.6
94.01646	0.6
96.25466	0.7
99.00908	1.4
100.90000	0.8
101.02406	0.9
109.02966	4.0
111.00894	1.0
121.02951	1.5
125.02439	100.0
129.01924	3.9
133.02960	1.4
135.04520	10.7
136.11473	0.7
137.02440	1.2
142.99834	0.9
145.02960	6.6
147.04448	0.7
149.02370	2.5
150.03186	1.6
151.04005	0.8
159.02905	1.2
161.02458	15.6
161.06100	0.8
164.01109	3.3
165.01978	1.0
175.03987	3.4
177.01903	8.0
178.02676	0.7
179.03522	2.9
183.04535	0.8
185.06076	0.6
187.03976	2.6
195.05133	15.7
203.07144	1.1
215.07137	0.8
241.05124	0.9
245.04341	0.8
257.08051	0.9
269.04532	1.3
271.06189	12.3
287.05621	3.9
297.04047	5.8
297.07703	3.2
301.07291	1.3
313.07285	1.1
396.80624	0.8
411.27625	0.7
423.10904	22.3
427.19864	2.6
645.14410	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	645.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85514	4.0
56.53289	3.4
56.87545	3.9
57.16706	3.9
59.01401	20.7
60.99307	6.3
65.00332	6.1
67.06660	3.5
67.19280	3.5
71.01388	3.4
85.02979	8.1
88.98805	43.3
97.02972	3.7
101.02453	7.9
107.01422	20.0
113.02496	10.1
119.05051	23.1
121.84839	4.4
125.32549	3.7
129.01956	5.5
133.02962	16.3
136.60144	4.1
145.03035	5.7
151.00400	42.0
161.02452	8.5
165.88870	3.9
220.03827	4.9
239.03503	5.8
268.00092	5.1
269.04675	6.2
283.02484	53.0
325.03540	15.2
331.18985	5.2
403.08350	30.4
416.22733	5.1
555.09467	100.0
631.25128	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	643.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
71.01395	2.9
83.05032	3.3
84.07163	1.3
89.02473	1.8
91.89303	1.3
96.96028	2.3
101.02447	2.9
123.35617	1.4
123.89048	1.3
156.14262	1.4
163.11298	2.4
165.12805	2.4
169.12331	9.9
171.10287	2.1
184.19991	1.3
197.11842	100.0
199.13429	1.6
209.11859	87.2
227.12859	10.2
235.08240	2.4
253.09277	7.7
433.20920	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	645.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51179	2.1
53.98692	2.4
59.01394	13.1
60.99318	13.6
61.98845	3.8
64.34488	2.9
65.00337	6.3
71.01407	3.4
76.31852	2.8
83.01414	3.9
88.98801	49.1
92.10777	2.8
93.03491	4.8
107.01410	14.6
109.02943	3.0
119.05015	29.5
120.93060	2.9
129.01862	2.8
133.02988	5.5
151.00372	41.8
161.02480	6.9
177.02019	2.9
178.02731	3.2
201.41409	2.8
220.03853	4.7
255.02858	3.6
257.04535	5.0
268.00229	5.0
283.02527	62.9
297.04089	5.5
309.03955	3.2
325.03601	15.5
384.66833	3.0
403.08276	39.1
417.94580	2.9
555.09412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.0
62.59879	0.5
64.34032	0.6
67.01910	0.6
69.03503	0.7
71.01398	2.7
73.02963	0.6
85.02953	1.1
87.00830	0.6
89.02457	0.6
92.10857	1.0
97.02967	0.9
101.02461	1.5
107.60892	0.6
108.02150	1.1
109.02950	42.6
111.00895	3.2
113.02467	3.1
116.82681	0.6
121.02946	1.1
123.04539	1.1
125.02411	0.6
133.02950	32.6
134.03728	1.4
135.03477	1.1
135.04521	32.5
136.01656	9.0
137.02492	1.1
147.04507	1.5
148.05316	0.8
149.06097	3.8
151.04013	16.1
152.01169	14.3
153.01938	72.4
161.02444	100.0
174.03247	0.7
175.03976	9.5
177.05591	8.3
179.03494	17.8
179.04929	1.1
195.02997	60.4
203.03522	33.6
215.99910	0.6
217.05077	1.2
221.04530	2.9
225.04044	6.3
233.04408	0.8
237.04018	1.3
245.04504	3.6
255.05118	30.7
275.49689	0.7
297.06104	3.0
357.13580	7.4
417.08301	12.5
477.10443	52.2
575.14105	59.5
576.14178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
73.13462	0.7
73.90125	0.6
92.10802	2.1
115.09013	0.8
132.98186	1.5
153.26257	0.8
155.20700	0.9
157.03609	5.7
159.01488	3.6
174.99252	21.9
176.98123	1.8
191.11153	0.8
201.02594	57.3
216.49741	0.7
217.00334	78.4
258.49075	0.8
343.03711	10.3
359.01541	49.5
360.01434	1.1
403.72662	0.9
439.17627	0.9
501.02161	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	641.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18630	0.6
81.79797	0.8
104.40371	0.7
108.61828	0.7
168.66455	0.9
210.95181	0.9
264.05338	0.8
283.26456	100.0
284.26865	1.0
582.02344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03719	0.3
57.03466	0.4
57.18345	0.4
59.01388	9.6
71.01382	6.4
73.02956	0.7
80.05072	0.5
83.08880	0.4
83.60097	0.5
85.02961	2.2
87.00899	0.5
89.02444	8.8
95.01397	0.7
96.04565	2.5
101.02461	5.7
105.03486	0.6
109.02962	11.0
113.02449	3.4
119.03493	3.6
121.44506	0.4
123.00952	0.5
124.01594	0.6
131.11339	0.4
132.02220	0.8
133.02963	40.8
134.03748	0.8
135.04533	13.3
137.02454	0.7
152.01166	0.5
153.01955	11.3
161.02455	100.0
162.02730	0.6
166.08711	0.6
179.03508	4.3
179.05659	0.6
182.08180	1.8
195.03001	2.9
219.24150	0.5
255.05113	1.1
280.95694	0.5
326.12500	1.9
344.13550	31.6
417.13800	0.5
462.14206	5.6
480.15167	16.4
506.16827	3.7
510.31644	0.5
624.16895	0.7
642.18427	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	95.9
59.01393	69.7
60.32838	0.9
71.01402	2.0
72.03091	1.2
75.81874	1.2
80.25853	0.9
89.02460	2.4
96.96007	4.3
99.04517	100.0
101.02450	17.0
113.02434	1.7
119.03503	1.4
119.05054	1.2
121.05066	10.0
122.03743	1.5
125.02456	19.4
125.20479	1.0
143.03526	2.6
161.04568	2.4
163.04024	1.7
163.06114	5.5
203.09232	2.0
265.09317	76.6
265.12216	2.7
338.63889	1.2
401.64096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31497	1.4
56.56343	1.4
56.90811	1.6
64.27458	1.5
73.01460	1.7
87.47697	1.7
87.85065	1.8
88.35462	1.5
92.66432	1.8
93.03481	3.1
94.65636	2.0
97.02944	2.2
107.05058	2.1
141.09175	2.0
151.07608	2.8
163.11272	7.3
165.12810	7.5
166.61226	1.7
168.72319	2.2
181.12369	2.5
207.10071	4.6
210.49298	2.2
231.10118	2.1
247.20564	7.4
248.10335	8.4
256.06241	1.9
285.18573	1.9
287.16299	4.0
291.19647	49.6
309.20755	54.8
313.14569	5.4
313.17905	46.4
331.15247	9.5
331.18915	100.0
338.05649	1.9
342.74088	2.1
580.14777	1.9
641.40222	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	641.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38962	0.3
57.03452	5.8
57.03680	0.4
58.63028	0.2
59.01381	3.3
60.46388	0.3
69.89124	0.3
71.01384	2.3
73.02950	0.4
75.23930	0.3
77.11131	0.3
81.03475	0.6
83.01383	0.4
85.02950	10.8
85.03459	0.5
87.00878	2.9
88.98843	0.4
89.02443	0.3
93.03448	4.3
101.02470	0.6
109.02959	5.4
111.04524	1.8
113.02462	1.3
114.38832	0.3
123.04549	0.6
125.02444	35.0
127.04050	1.8
129.01926	0.4
133.02960	2.7
135.04518	2.7
137.02441	1.8
145.02930	1.3
147.04520	0.7
149.02440	0.4
150.03227	1.5
153.01955	2.5
159.04590	0.4
161.02446	13.9
161.04547	0.4
162.03276	0.4
163.04028	0.4
164.01164	1.3
165.01889	0.4
165.05573	0.7
171.03011	0.4
173.04567	1.7
173.06038	0.4
175.04001	0.6
177.01927	1.8
179.03534	0.8
183.04568	0.4
185.06035	0.4
187.04053	0.8
191.05626	100.0
192.06026	0.6
195.02953	0.6
201.05594	0.7
209.06126	0.6
211.04051	0.6
215.07140	0.4
217.05087	0.6
224.04724	0.4
225.05600	2.1
227.03484	0.7
229.04973	2.3
235.03882	0.4
235.20995	0.3
241.05093	1.3
245.04562	0.5
253.05017	2.5
269.04602	2.0
271.06134	0.7
279.03006	1.6
280.03781	0.4
283.06006	1.2
287.05661	2.3
295.06113	0.4
297.04025	21.3
298.04819	0.7
299.05707	0.5
323.05655	0.8
327.05161	0.5
353.04855	0.5
353.08920	5.4
387.32281	0.5
405.10178	0.5
449.08710	4.1
545.98651	0.3
565.12250	0.5
641.15277	20.4
641.24841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56953	0.4
57.03454	0.6
59.01384	10.2
67.01911	2.0
71.01380	4.0
73.02973	0.6
76.31210	0.4
81.03451	7.7
85.02957	0.9
89.02465	3.4
95.01398	5.0
97.02951	1.1
101.02441	2.1
107.01373	6.4
109.02966	7.0
113.02446	1.1
119.03517	1.0
121.02956	2.4
123.00877	8.9
125.02444	14.4
133.02962	22.3
134.03757	2.1
135.04527	25.0
137.02449	0.8
149.02480	0.8
149.06070	1.8
150.03226	2.3
151.00386	27.9
154.76938	0.5
155.77466	0.5
161.02451	100.0
161.06081	4.4
162.03008	0.6
163.04018	0.7
165.05647	0.7
168.75096	0.6
175.04015	3.0
177.05602	5.4
179.03513	30.8
179.05127	1.1
189.05594	0.9
189.09204	3.5
195.31512	0.6
197.06084	2.3
199.07642	4.5
200.70695	0.6
203.03517	18.2
213.05690	0.7
215.07190	0.7
221.04593	6.0
223.97496	0.5
225.05577	0.6
233.04636	0.6
233.65695	0.5
241.05165	1.0
243.06577	2.8
251.05537	0.7
269.04617	2.9
281.06793	4.6
287.05676	1.0
313.03738	0.6
323.07639	2.2
341.08835	41.6
439.12558	30.9
471.15109	3.5
490.24307	0.6
493.10196	2.6
578.13269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23603	1.7
59.01395	10.8
59.09653	2.1
70.42915	1.9
71.01388	4.3
72.99329	10.2
73.02960	4.0
75.00878	2.3
77.36851	2.2
80.05080	12.2
80.24933	2.4
81.03455	2.7
87.00914	4.2
96.96037	4.8
104.05099	3.6
108.04542	2.6
109.02993	5.0
113.02538	2.7
119.05038	16.6
120.05350	2.6
121.05367	2.4
122.06142	13.9
123.04514	2.8
124.04053	3.8
125.02448	11.5
132.04515	4.0
132.62511	2.2
133.02933	4.8
134.06053	2.3
135.04552	15.1
136.01674	4.0
137.02486	3.7
139.44069	2.4
148.04062	15.5
151.00391	8.9
158.06129	3.9
160.07730	5.1
161.02448	24.1
163.04044	13.2
168.81438	2.2
172.07747	12.5
179.03523	13.1
186.09244	11.2
187.08794	9.2
188.07219	19.5
189.10318	2.6
199.06418	3.2
200.07170	3.2
211.09003	2.8
213.10384	3.0
214.08899	15.6
218.08263	9.6
231.11423	2.9
232.06303	2.9
232.08411	15.8
233.09323	3.6
239.08325	21.2
241.09843	13.9
251.08328	5.4
257.09323	50.2
262.07224	3.9
269.09204	9.2
275.10422	18.6
301.08377	100.0
313.08344	3.3
319.09430	3.6
341.08881	15.1
343.09439	9.6
375.08429	9.5
393.09442	30.5
439.12607	4.7
505.14810	25.4
510.12601	3.0
579.15057	5.4
597.15729	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.6
59.01383	14.9
60.86364	0.6
67.33456	0.7
71.01390	1.7
73.02953	4.0
77.89494	0.7
83.01378	1.4
85.02950	1.0
92.10152	1.1
93.03452	1.3
101.02454	2.7
105.03451	0.8
108.02217	1.3
109.02962	0.8
110.29484	0.6
113.02449	1.1
116.92876	4.0
119.05052	1.2
121.02945	12.1
121.06583	1.0
122.03729	8.7
123.04532	6.1
125.02495	0.7
132.02202	3.3
133.02951	7.4
134.03781	5.8
135.04539	7.8
136.01677	1.1
136.05296	28.5
137.02446	1.1
137.06068	3.1
147.04500	2.5
148.01639	0.8
149.02457	38.8
149.06102	4.7
150.03233	91.0
151.04030	16.7
151.07661	1.7
161.02454	1.3
162.03255	0.7
162.83168	0.7
164.04823	11.1
165.05579	54.3
176.28078	0.6
180.04384	4.8
180.56328	0.6
181.05098	5.8
191.05629	1.5
193.05113	1.2
194.05553	0.9
195.06645	42.4
204.04201	1.1
204.32918	0.9
207.01199	0.8
229.09991	0.9
241.08719	1.3
269.08118	1.6
270.08450	0.8
280.94382	0.8
283.09805	11.0
284.10571	2.8
299.09259	1.6
310.08844	0.9
311.09259	12.8
323.12714	1.0
325.10889	3.1
343.11914	95.0
344.12170	1.4
367.11813	4.0
385.13220	2.5
391.14011	100.0
392.14474	1.0
487.46375	0.8
535.31537	0.8
662.90857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11400	0.2
59.01386	1.2
63.11818	0.3
66.77328	0.3
73.29111	0.3
78.95911	0.4
88.98822	0.6
93.03452	14.5
107.72967	0.3
119.05019	57.4
120.05367	0.4
132.02170	1.3
133.02988	0.4
145.02951	0.8
147.00909	0.5
148.01695	1.3
172.01669	11.2
200.01186	10.8
212.01128	1.9
213.01910	0.7
214.02722	0.4
226.02751	0.6
226.99788	0.6
228.00655	5.9
229.01457	0.6
230.02144	0.4
241.01471	0.3
242.02103	0.4
254.02095	0.6
254.99411	2.1
256.00159	99.3
257.00827	3.8
269.00824	1.2
270.01672	4.8
271.02509	34.1
276.47519	0.3
282.01682	8.0
283.02460	1.9
285.04034	1.9
297.04031	5.4
375.05228	1.3
376.05963	19.7
391.08298	100.0
392.08691	1.5
535.12750	0.6
579.08801	0.4
595.14532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	5.7
69.03496	0.9
70.20419	0.9
92.10798	1.2
95.86476	1.0
101.02483	1.5
109.02947	29.6
111.00914	1.2
113.02448	2.0
132.02182	1.7
133.02950	42.5
134.03735	2.1
135.04521	31.3
145.02983	1.5
152.01155	4.3
153.01949	48.8
161.02446	100.0
175.04031	2.1
179.03520	14.3
195.02997	15.7
203.03549	9.5
205.19606	1.2
225.04077	1.3
237.04147	1.2
245.04492	1.2
255.05110	6.6
297.06107	6.3
323.07632	1.3
417.08414	4.3
455.08530	1.3
459.09369	20.2
463.39255	1.1
477.10693	9.7
639.02997	1.2
639.13690	37.2
639.24573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51971	0.7
54.82389	0.8
57.49955	0.8
59.01394	1.4
63.93981	0.9
68.40442	0.8
69.48196	0.8
74.95840	0.9
77.60102	0.8
78.95910	1.1
85.02944	1.1
88.98828	4.4
89.02451	0.9
92.10173	2.7
93.03452	28.2
93.04012	1.4
97.87971	0.8
101.92571	0.8
119.05014	68.0
125.02525	0.9
133.03056	1.0
151.00357	1.0
153.01939	1.2
172.01595	6.3
200.01190	15.4
208.36835	0.9
213.01947	1.2
226.99841	8.5
228.00656	10.0
242.02293	1.1
253.01590	1.9
254.02182	1.3
254.99371	90.8
256.00146	85.7
257.00735	5.0
269.00912	4.4
270.01727	43.7
271.02505	31.8
281.00903	5.7
282.01697	12.6
283.02402	1.4
285.04114	7.4
297.04010	11.2
375.05093	30.5
376.05878	19.9
389.06378	1.1
390.07642	8.4
391.08270	100.0
392.08810	1.7
475.09152	6.3
528.29181	0.9
579.09137	2.1
595.05096	1.6
595.14673	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.4
61.32137	2.0
65.03962	2.8
71.01398	11.8
71.09307	2.2
78.95927	2.3
85.02958	5.2
86.92659	2.4
87.00910	2.3
89.02494	2.3
101.02464	13.6
113.02468	3.9
125.09727	16.5
185.11887	2.4
187.14914	3.3
195.04988	2.7
209.11862	4.3
213.12810	5.2
231.13902	16.6
274.58856	2.5
383.22278	14.4
393.26425	3.0
401.23288	14.7
510.54395	3.2
590.90991	2.8
619.31268	100.0
637.31647	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	637.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14909	0.8
56.26809	0.9
57.03466	1.1
59.01402	9.6
68.86872	1.0
71.01399	4.9
73.02946	6.6
74.35726	0.9
76.23428	0.8
78.33031	0.8
78.95911	0.9
83.05038	4.0
85.02961	1.7
87.00881	3.6
87.04531	1.8
96.96061	1.5
97.06586	8.5
97.59209	0.9
99.04521	1.0
99.92587	5.2
101.02466	2.3
109.02951	4.7
109.06635	1.1
113.02467	4.3
116.92860	37.1
125.09743	1.7
133.02934	3.9
135.04547	1.9
137.02422	1.4
153.01978	3.5
161.02364	7.0
171.10265	7.1
183.13858	1.1
185.11758	1.4
195.02995	1.4
198.75436	0.8
199.13498	1.1
229.14563	1.6
237.14967	1.5
241.14650	1.0
243.16028	11.1
255.05125	1.9
255.16028	2.2
267.02948	1.2
273.17111	27.4
359.24396	5.0
371.24469	7.6
382.18246	1.0
389.25513	100.0
390.25818	3.4
409.51270	0.9
431.26175	1.0
437.13980	1.0
460.21970	0.9
593.31744	6.2
642.91754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.4
63.07628	0.8
66.05023	0.9
72.02399	0.9
96.04546	2.3
104.08380	1.0
105.92655	1.1
107.05036	1.5
108.04554	1.3
109.42135	1.0
112.04044	42.6
120.04557	5.1
122.06075	7.3
124.04026	2.2
127.78113	1.0
134.06119	1.2
135.03294	1.2
136.07683	12.9
138.09215	2.5
138.49509	0.9
148.04060	20.6
149.04799	7.9
150.02011	2.2
150.05603	100.0
155.12976	0.9
155.88055	1.0
159.08064	1.1
160.04030	6.6
161.04823	48.5
162.05542	6.0
163.02705	1.5
163.69162	1.1
164.03526	7.2
164.07178	2.3
165.06593	1.5
173.04816	1.3
174.04308	1.3
174.05641	2.0
174.09189	1.7
175.05060	4.6
175.06374	11.9
176.05811	5.6
176.07184	1.5
177.06650	1.5
178.07376	1.4
179.08237	4.1
186.05602	1.2
187.06360	6.8
188.07149	6.5
189.06642	2.3
190.07466	5.8
191.08310	9.5
200.07173	2.0
201.07965	1.9
202.08766	48.7
204.08916	1.2
217.07526	3.7
217.09818	7.3
218.08157	1.3
219.11407	21.1
228.10287	3.9
230.07014	1.7
243.07549	1.1
243.11371	1.7
244.08301	2.1
245.09309	48.1
245.12958	6.0
246.07643	3.6
247.08473	1.6
262.09506	4.0
263.10382	41.9
285.12439	4.3
287.14032	5.5
289.08710	2.8
289.11938	10.3
307.12918	5.6
360.29160	1.4
389.25272	1.2
394.81647	1.1
400.18719	1.9
426.16711	63.6
430.19949	2.1
452.18027	4.1
469.18582	1.5
470.19360	57.0
474.22186	2.1
509.97336	1.1
563.25275	7.1
593.26208	4.9
607.28021	4.2
637.28815	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	637.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41290	0.3
59.01390	5.3
66.03503	0.5
71.01414	0.9
73.02945	0.5
79.05521	0.5
81.03434	0.5
82.03001	2.2
85.81956	0.4
94.02960	0.5
94.06645	0.7
96.04549	3.2
102.02178	0.4
107.05033	2.2
108.04561	2.2
109.06548	0.7
110.02492	1.9
112.04051	49.8
120.04550	3.9
120.87337	0.4
120.90491	0.4
121.01637	0.4
121.05366	0.5
122.06110	8.1
124.04045	2.0
125.01225	0.4
134.06116	2.2
135.03253	0.8
136.07677	13.8
137.70532	0.4
138.05649	0.5
138.09253	5.1
139.02806	0.4
146.06111	2.5
147.03262	0.5
147.06894	0.5
148.04062	18.6
148.07683	0.9
149.01169	1.0
149.04843	11.0
150.02113	3.0
150.05615	100.0
151.05994	0.7
152.07172	2.0
152.96158	0.4
158.06107	0.8
158.09697	0.5
159.08170	3.9
160.04070	5.4
160.07690	0.9
161.04829	44.5
162.05598	6.4
163.02779	2.6
164.03557	6.7
164.07188	5.1
165.06708	2.1
172.04079	0.9
172.07774	0.6
173.03549	0.5
173.04814	3.6
174.04414	1.0
174.05614	4.1
174.09232	1.8
175.05107	1.1
175.06410	13.7
176.05876	4.8
176.07219	2.2
176.10878	3.0
177.06662	2.5
178.07530	0.9
179.08287	4.4
186.05623	2.8
187.06401	10.2
188.07222	6.9
189.06738	3.9
190.07497	6.3
191.08281	7.4
200.07166	2.3
201.08054	1.0
201.10373	0.5
202.08786	51.7
203.08360	2.6
204.08911	0.9
204.10544	0.6
207.05368	0.5
217.07619	0.8
217.09810	7.7
218.08298	0.5
218.10574	0.7
219.11418	18.5
228.06647	0.5
228.10391	3.6
228.12643	0.4
230.06949	3.1
243.07675	0.8
243.11481	1.7
244.08322	4.4
245.09326	45.6
245.12920	8.1
246.07693	5.7
246.11345	2.0
247.08443	2.7
248.09177	0.7
261.08929	0.6
262.09515	5.2
263.10391	42.3
264.10754	0.5
269.08478	0.4
271.10977	2.8
285.12421	3.1
287.11044	0.6
287.13834	3.8
289.08710	1.0
289.11926	8.9
290.10498	0.8
307.13055	5.3
343.12067	0.9
382.17819	1.7
389.25919	3.2
390.14682	0.5
392.38840	0.5
400.18900	2.9
408.15491	0.8
425.16013	0.9
426.16748	53.5
427.17349	0.6
430.19818	4.4
452.18326	2.5
456.21533	1.6
470.19394	53.7
474.22879	0.5
483.98279	0.5
563.25067	7.9
593.25873	3.8
607.28107	4.2
637.28821	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	637.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
59.01383	5.2
64.79574	0.2
71.01385	3.8
72.99321	1.5
73.02976	0.3
75.00873	26.5
76.13293	0.3
80.06474	0.3
83.84065	0.2
85.02948	3.1
87.00887	4.6
89.02441	2.4
92.10104	0.3
99.00877	7.8
101.02468	1.3
108.85828	0.3
111.00896	1.6
119.05026	5.8
125.13842	0.3
129.01942	14.7
133.02953	1.6
134.03757	1.2
135.04521	10.1
137.40739	0.3
149.00920	2.7
159.02991	10.7
161.02539	0.4
163.04013	6.2
177.02014	0.3
177.04059	0.6
179.03526	5.5
184.98390	0.3
195.05116	100.0
196.05522	0.4
221.49371	0.4
270.20163	0.3
279.05688	0.3
279.10950	0.3
295.04657	0.5
357.08316	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	637.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61252	0.2
55.85698	0.3
57.82122	0.2
59.01383	6.2
70.51266	0.2
72.99316	0.4
84.99320	0.6
87.00874	6.8
93.03468	0.4
96.90559	0.3
103.00350	2.3
112.98811	6.3
115.12759	0.3
119.05025	62.3
130.99854	0.5
149.00984	1.8
163.04019	100.0
163.16089	0.2
163.67967	0.2
164.04323	0.4
195.05110	0.4
295.04630	23.4
505.13718	0.3
593.10931	0.3
647.98218	0.3
666.82715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03459	0.4
59.01387	5.2
71.01373	2.6
73.02966	0.3
81.03461	0.4
83.01383	1.3
83.05055	0.3
85.02955	5.7
87.00873	0.4
89.02464	1.5
99.00876	0.4
99.04540	1.2
101.02447	9.0
109.02960	0.5
111.00863	2.8
111.04536	0.4
113.02446	0.8
117.03442	0.4
121.02922	2.3
123.04505	0.3
127.04014	1.2
129.01944	27.5
132.02177	1.6
133.02959	30.7
134.03758	2.3
135.03481	0.5
135.04524	13.2
137.02484	1.8
139.04041	0.4
147.04567	0.4
149.06084	0.5
150.03255	0.7
161.02452	100.0
162.02776	0.8
163.04063	0.4
165.05600	0.7
172.35245	0.3
175.04027	0.5
177.05618	0.6
178.02690	0.6
179.03505	7.4
182.71016	0.3
183.04539	0.3
193.05067	2.0
203.03490	2.2
203.07150	0.7
213.50468	0.3
221.04489	0.6
239.03345	0.4
241.05087	0.4
243.17535	0.3
269.04636	1.2
281.06702	0.6
291.07166	0.7
295.02487	0.7
301.07239	3.4
306.96103	0.4
327.05115	1.8
331.79037	0.4
341.08878	2.0
348.68506	0.3
409.11215	0.4
434.16550	0.4
453.10452	36.7
609.45349	0.4
627.66144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62060	1.2
54.96207	1.1
59.01381	10.3
60.64091	1.1
66.00167	1.2
71.01380	5.6
78.95925	1.3
80.96556	1.2
85.02980	3.0
87.00912	1.5
87.10092	1.2
98.97742	1.3
101.02431	1.9
122.06114	6.9
133.02968	6.7
135.04539	1.8
159.05637	1.7
159.10252	1.8
160.06415	15.6
161.02403	1.6
161.07201	9.8
169.69058	1.5
172.06496	2.4
173.07239	5.9
180.83284	1.4
184.06522	2.3
188.09557	2.2
189.10393	13.3
191.05560	1.9
192.05441	1.9
197.11838	2.8
215.08342	5.4
267.10205	7.4
282.12527	23.9
294.12506	19.4
295.13104	2.5
295.82138	1.6
310.15726	15.5
334.15796	1.8
336.13663	13.0
336.17099	2.4
354.14651	100.0
362.15265	3.2
377.48602	1.4
382.53784	1.4
398.17239	50.9
406.14316	3.3
424.13861	1.8
491.19635	1.9
535.21875	2.2
635.27435	18.0
635.37689	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	635.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01381	1.4
83.07318	0.7
89.02457	3.1
108.01855	0.6
135.39761	0.7
142.13185	0.7
165.58849	0.7
179.05647	0.7
295.29721	0.6
331.63254	0.8
386.13138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
62.41986	0.3
70.64220	0.3
71.01404	0.7
84.04546	0.7
85.02955	3.8
87.00900	0.4
89.48908	0.3
96.96001	0.6
100.59232	0.4
101.02423	0.5
120.04523	0.4
122.06116	7.5
129.01930	0.5
139.47931	0.4
145.07753	0.7
146.04851	0.8
157.07797	0.4
159.05650	2.2
160.06430	20.5
161.07207	13.8
171.09296	0.6
172.06407	3.6
173.05843	0.6
173.07208	7.4
184.06454	1.7
185.07204	0.4
186.08073	0.5
187.08795	3.2
188.09592	3.7
189.10349	14.9
192.05444	3.3
199.08852	0.5
204.05403	0.5
211.07518	0.5
212.05891	0.8
212.09674	1.5
213.10414	3.5
214.07567	1.6
215.08313	7.8
215.11763	0.7
220.08554	3.3
220.11223	0.3
233.09351	2.1
240.09116	1.5
244.08537	0.6
246.06512	0.5
266.09424	0.7
267.10101	5.7
279.10202	0.9
281.11700	1.3
282.12503	31.0
292.14102	0.4
294.12509	15.8
295.13318	2.4
299.58911	0.4
306.12454	0.8
308.14236	0.6
310.15646	18.3
318.12381	1.5
319.13223	0.4
334.15726	2.7
336.13593	15.1
336.17203	0.9
354.14639	100.0
355.14975	0.5
362.15036	5.4
380.16272	2.1
398.17255	47.4
405.15704	1.9
406.14130	6.0
491.19214	2.6
535.22058	7.3
550.21857	1.3
593.44098	0.4
608.55450	0.4
608.65552	0.4
635.27362	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86759	1.5
59.01395	19.4
61.98846	4.6
63.81158	1.5
71.01397	7.9
88.98799	4.3
96.40717	1.7
101.02437	1.8
112.66475	2.0
113.02467	3.1
115.83035	2.1
122.06105	4.5
133.02945	9.2
135.04535	3.1
137.02451	1.9
160.01691	2.2
160.06400	15.8
161.07198	12.7
173.07202	3.6
187.08815	3.3
189.08809	2.2
189.10265	14.3
200.07120	2.1
215.08374	6.6
219.36671	2.0
267.10242	9.5
282.12476	29.3
294.12512	13.9
306.11801	2.1
310.15546	22.0
336.13565	15.5
354.14645	100.0
362.15277	3.4
380.16376	2.1
398.17212	47.6
406.14166	7.5
491.19397	2.7
535.21619	3.9
572.08777	2.9
635.27368	21.3
635.38232	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	635.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21436	0.3
54.82315	0.3
56.96666	0.2
59.01387	2.5
62.63204	0.3
64.87136	0.3
68.89404	0.3
76.50923	0.3
84.04570	1.3
85.02515	0.3
85.02937	2.3
103.65533	0.3
107.03738	0.4
117.00118	0.3
120.04526	0.4
122.06127	8.6
122.39364	0.3
128.77069	0.3
145.07735	0.9
146.04907	0.6
147.05640	0.3
159.05655	1.8
160.06432	24.2
161.07208	13.8
171.05595	0.4
171.15089	0.4
172.06424	4.0
173.07213	7.3
184.06474	0.7
185.07242	0.4
186.07867	0.5
187.08754	4.8
188.09590	4.3
189.10355	18.8
192.05383	2.5
192.06934	0.3
204.05475	0.6
211.07477	0.6
212.05936	1.6
212.09578	1.9
213.10315	3.8
214.07486	1.8
214.11081	0.4
215.08287	10.3
215.11748	0.7
220.08513	1.7
233.09346	1.9
240.09048	0.7
241.09731	0.4
254.12993	0.4
266.09424	1.4
267.10114	5.6
279.10138	1.6
280.10916	0.5
281.11603	0.8
282.12512	30.1
290.12997	0.5
292.14291	0.6
294.12521	16.6
295.13278	2.2
306.12552	1.4
308.14175	1.5
310.15634	17.3
311.15857	0.3
319.13257	0.4
333.13660	0.4
334.15762	2.5
336.13626	16.3
336.17300	2.3
354.14648	100.0
355.15085	1.3
362.15195	5.7
380.16257	2.0
398.17264	49.4
405.15714	3.5
406.14200	5.6
491.19104	2.4
535.22046	7.9
550.22668	0.5
635.27307	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	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
60.43378	0.7
71.01379	1.0
72.04539	1.0
73.02946	1.4
84.04523	1.4
94.06638	4.6
96.04540	6.8
96.96033	1.3
97.06598	0.9
122.06198	1.2
124.04032	1.9
128.07184	6.5
132.21333	1.0
133.06540	0.9
134.06171	1.1
136.07697	22.5
138.05629	5.3
146.06137	2.0
148.04059	7.4
148.07642	3.2
150.05576	2.0
151.06474	0.9
152.07146	1.3
154.08778	15.6
157.75291	0.9
161.02473	2.1
161.04791	1.4
161.07198	1.3
162.05687	1.9
173.07204	0.9
173.09732	1.9
174.05624	3.9
174.09273	3.9
175.05052	1.0
175.06404	1.0
176.07179	3.6
184.09755	1.1
190.08731	1.2
191.08286	8.9
191.11855	3.3
200.10936	1.4
202.08824	4.3
203.09544	1.2
204.10316	9.4
215.04610	1.1
215.08383	1.4
216.10327	21.7
216.14037	0.9
217.09885	4.6
218.08299	1.2
224.10944	1.1
226.08778	7.6
226.12402	3.6
230.06859	3.0
232.08565	2.0
235.10869	8.0
240.10414	1.1
241.09944	1.5
241.13477	0.8
242.12007	8.5
243.07787	27.2
243.11389	12.9
244.08501	3.4
247.10893	10.3
269.09357	8.6
269.12924	4.1
270.09863	1.2
281.13043	8.8
282.11343	6.2
283.12048	1.3
284.11780	1.0
285.12479	4.5
286.12057	12.9
287.10416	4.0
293.16672	1.3
297.12384	1.2
299.14093	18.7
299.17545	1.4
308.11349	1.0
319.14740	12.3
319.18158	1.9
322.13226	1.2
325.15466	3.4
325.36856	0.9
327.12183	1.5
330.14481	1.2
333.14658	3.9
337.15671	35.6
342.14520	5.0
342.18384	1.4
354.14731	4.7
355.16464	6.6
366.14523	2.0
368.16287	1.5
371.14810	1.7
380.16138	1.8
385.17755	2.0
386.17181	2.1
387.23938	5.3
398.17206	3.9
406.17825	1.4
413.15933	4.1
420.18964	1.1
428.18253	36.7
472.20981	89.9
473.21387	1.4
498.18927	1.2
539.13928	0.9
562.25903	1.0
565.33008	1.0
573.41998	1.0
591.30768	0.9
617.25909	1.2
635.27380	100.0
636.27954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07731	1.8
52.38416	1.9
53.54229	1.7
59.01389	11.2
61.98848	2.9
71.01425	3.5
75.53714	2.1
85.02966	2.7
88.98822	4.5
90.97181	2.1
92.65143	2.4
109.02964	2.5
122.06131	3.3
125.02425	2.2
133.02936	10.5
135.04523	5.5
160.06427	15.5
161.07214	5.8
179.03409	2.6
189.10333	17.4
215.08334	8.9
267.10016	4.7
282.12476	30.5
294.12570	11.2
310.15646	14.2
336.13736	17.3
354.14679	100.0
362.15320	2.8
398.17343	38.2
406.14203	3.8
535.22491	5.4
635.17889	2.6
635.27069	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.7
60.50204	0.6
60.54669	0.6
63.24921	0.6
82.02984	8.5
83.05035	0.8
96.04562	1.8
112.04069	3.1
120.04543	7.1
121.06618	1.4
122.06100	0.8
129.05600	3.9
132.04602	2.3
133.02916	0.7
136.07684	6.2
138.05583	1.4
138.09279	3.9
147.04553	1.0
147.05682	1.2
148.04051	52.3
149.04825	4.2
150.02036	0.9
150.05611	31.3
154.05116	4.7
160.02759	1.4
160.04042	17.4
161.04829	89.8
162.05620	7.1
163.02802	1.1
164.03546	4.9
164.07124	1.3
173.03545	6.8
173.04828	2.7
173.06059	0.8
174.04320	13.1
174.05632	6.8
175.05132	86.3
175.06374	4.7
176.03580	1.0
176.05887	8.2
177.06715	2.8
186.05617	1.3
187.06387	6.1
189.06656	7.2
190.07494	17.3
190.09053	1.2
191.08255	11.2
200.07146	1.8
201.07779	3.0
201.09511	5.2
201.10776	0.8
202.03865	1.6
202.07568	1.7
202.08853	15.3
203.04643	19.2
203.06364	1.3
203.08263	3.1
204.06715	1.1
213.10284	0.7
214.05142	0.8
214.11060	1.6
215.05853	3.2
215.08182	1.5
215.11868	1.0
216.06680	8.0
217.07523	2.9
217.09857	1.1
219.11421	1.2
226.08829	1.5
227.09398	0.9
228.06691	3.1
229.07507	3.3
231.07718	1.7
232.08527	15.4
233.06979	1.6
233.09309	37.7
233.11591	1.5
241.09872	1.0
242.08276	1.4
243.07503	2.5
243.11360	0.9
244.09853	100.0
245.09334	9.5
246.07794	1.2
261.12491	1.0
263.10416	2.8
263.59720	0.9
269.09229	0.8
285.08997	1.0
286.09619	3.7
287.10437	8.6
287.13788	1.4
288.08871	11.4
293.32028	0.7
295.10770	1.4
305.11450	24.6
312.13589	1.5
338.11560	12.1
339.12225	1.1
370.17914	3.8
380.16238	5.5
382.17834	1.5
400.19052	3.0
406.17673	0.8
424.18945	1.7
426.16406	0.9
442.20032	6.5
449.15753	1.0
450.17245	0.8
454.20181	1.4
455.18018	0.8
467.16974	1.3
468.17804	60.0
472.20932	11.9
482.17261	0.8
561.05115	0.8
563.25012	0.9
605.26300	10.9
635.27509	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	635.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23054	0.4
53.95748	0.4
55.71044	0.5
59.01385	7.9
63.65218	0.5
67.19545	0.5
71.01386	2.4
82.02995	0.6
85.02959	0.8
87.04601	0.6
96.96020	0.9
101.02432	0.6
104.93519	0.6
106.03520	0.7
109.02983	0.6
112.86665	0.5
113.02464	0.6
120.04544	1.2
122.06136	6.4
130.65762	0.5
133.02979	0.9
135.04468	0.6
136.07692	3.0
137.02573	0.7
138.09300	2.4
140.08246	0.6
145.07716	1.1
148.04048	6.5
148.07727	0.9
150.01817	0.5
150.05560	5.1
159.04448	1.0
159.05637	9.7
160.05148	0.5
160.06419	18.2
161.04956	5.4
161.07202	19.6
162.05617	1.2
162.54404	0.6
164.10846	0.7
172.06464	2.3
173.03572	1.3
173.07233	13.2
174.04378	1.0
175.05191	7.4
175.08795	2.2
186.08031	1.0
187.08772	15.8
188.09641	4.0
189.06766	1.1
189.10349	33.5
190.07542	1.2
192.05388	2.6
199.08784	1.2
200.09468	1.0
201.10416	0.8
213.06755	1.3
213.10345	1.3
214.07478	2.8
214.11093	0.9
215.08305	18.5
215.11615	4.3
217.09888	0.6
220.08627	3.8
229.13499	1.4
231.07803	1.0
232.08455	0.9
233.09331	12.9
237.10420	1.3
241.09808	6.6
243.11429	0.9
244.09892	4.4
245.09441	1.0
255.11479	3.0
259.10870	0.8
266.09406	3.1
267.10272	3.6
269.09393	0.9
279.10117	0.9
280.10928	3.3
281.11734	21.4
282.12509	23.9
294.12515	16.1
295.13388	2.4
303.09952	0.7
305.11514	2.8
306.12439	0.7
307.72287	0.7
308.14136	3.5
309.14978	0.6
310.12149	1.3
310.15656	30.4
313.10803	3.6
320.14261	0.9
324.13745	0.7
335.12836	0.7
336.13562	9.9
336.17386	3.5
353.17548	0.8
354.14679	29.8
354.18423	1.2
369.23193	0.9
380.16257	2.5
382.21695	0.7
387.24060	2.4
394.17130	0.6
396.15723	4.7
398.17084	0.8
406.17657	1.2
408.19370	2.2
411.27905	0.7
424.18765	1.0
426.20349	2.7
442.20041	2.3
454.19766	0.9
466.16324	1.0
468.17972	4.6
472.20877	3.7
475.24490	3.8
487.23413	3.9
501.25192	1.1
503.26645	6.5
529.24707	8.7
547.25732	100.0
548.26251	2.8
549.32635	0.6
573.27527	4.0
591.28381	47.4
592.29169	0.7
605.26221	2.3
635.27527	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	635.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82327	1.5
59.01380	1.5
60.91279	1.1
71.45984	1.1
74.12443	1.3
82.02997	8.6
94.02955	1.8
103.18370	1.2
108.04544	1.6
112.04054	2.0
120.04552	6.8
122.06074	1.7
129.05617	4.5
136.07684	6.9
138.05640	2.1
138.09215	2.2
148.04057	55.5
149.04771	2.4
150.05602	35.2
154.05107	2.6
160.04063	16.5
161.04825	97.4
162.05576	5.8
163.02800	1.9
164.03485	2.6
173.03560	7.4
173.04866	2.1
173.06067	2.0
174.04327	15.1
174.05637	4.9
175.05122	83.5
175.06345	4.3
176.05945	9.2
186.05547	2.4
187.06311	4.8
188.07256	1.9
189.06715	6.6
190.07446	18.3
191.08267	12.0
201.07825	2.8
201.09460	1.8
202.03833	1.5
202.08847	16.4
203.04660	22.6
215.06079	2.4
215.08165	3.8
216.06714	9.5
226.08768	1.4
228.06696	2.8
229.07350	2.3
231.07605	1.8
232.08505	14.3
233.09308	36.8
243.07413	1.5
244.09821	100.0
245.09270	10.7
263.10266	2.0
282.12625	1.8
286.09613	5.3
287.10492	11.2
287.13544	1.6
288.08810	13.6
305.11496	28.3
312.13583	2.0
322.55362	1.2
338.11493	10.3
354.14661	9.9
370.17749	1.8
380.16132	5.2
387.23941	2.6
442.19745	6.0
467.16769	2.5
468.17743	59.2
472.20938	14.8
605.26617	9.7
635.27167	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	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33408	0.5
54.01910	0.6
59.01398	1.4
84.04592	1.4
85.02979	3.7
90.39428	0.6
103.96964	0.7
122.06161	7.3
147.05728	1.0
159.05659	1.5
160.06445	21.2
161.07228	13.8
172.06413	3.6
173.07188	5.9
187.08755	4.2
188.09570	5.9
189.10364	17.6
192.05327	1.5
192.79327	0.7
211.07555	0.7
213.10347	3.8
214.07416	1.0
215.08290	8.9
220.08562	1.7
263.11639	0.9
266.09454	0.9
267.10159	4.8
280.10785	0.9
282.12494	30.8
294.12567	15.6
295.13202	1.2
306.12772	1.4
310.15646	16.6
334.15778	1.2
336.13589	16.7
336.17203	1.4
354.14664	100.0
355.15045	1.2
362.15176	4.0
365.55954	0.9
380.16385	3.0
391.30450	0.9
398.17297	51.2
405.15814	2.9
406.14102	4.7
491.19370	1.6
535.21844	7.2
635.27423	17.0
636.26782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62799	0.7
53.36461	0.9
57.44171	0.7
59.01392	3.7
65.55271	0.8
67.33576	0.7
72.49341	0.9
76.88602	0.9
81.03452	0.9
82.02990	10.5
92.10104	1.7
96.04572	1.4
110.02510	0.9
112.04066	2.2
120.04562	7.4
122.02483	1.0
122.06112	1.2
129.05603	3.8
132.04659	0.9
136.07617	6.7
138.05544	1.2
138.09254	4.6
147.04535	1.2
147.05632	0.9
148.04047	61.3
149.04837	2.2
150.05618	32.5
152.34070	0.9
154.05125	3.8
154.08849	1.0
160.02774	1.5
160.04031	19.2
160.07684	1.5
161.04829	96.4
162.05603	6.0
164.03531	4.3
173.03539	7.0
173.04828	2.9
173.06097	1.4
174.04338	14.3
174.05640	5.2
175.05122	80.4
175.06303	3.8
176.03450	1.1
176.05869	7.8
177.06656	1.7
186.05649	1.5
187.06364	6.6
188.07263	2.2
189.06592	6.4
190.07465	23.4
191.08266	12.3
200.07246	1.9
201.07919	6.0
201.09441	3.4
202.03871	1.1
202.08856	16.2
203.04634	19.7
203.08305	4.1
204.06633	1.0
214.05089	1.7
214.11078	1.6
215.05988	1.8
215.08269	1.6
216.06725	9.3
216.10243	3.3
217.07635	1.4
217.09854	1.4
219.11497	1.7
226.08774	3.6
228.06664	1.6
229.07503	1.9
231.07709	2.3
232.08531	17.0
233.09306	37.8
235.38152	1.0
243.07764	5.9
243.11465	2.2
244.09851	100.0
245.06953	1.9
245.09375	9.2
263.10486	1.3
286.09555	4.3
287.10376	9.2
287.13828	1.9
288.08868	9.7
289.09540	1.8
295.10620	2.7
304.10809	1.4
305.11484	28.1
312.13782	1.5
338.11478	12.5
339.67850	1.0
370.17880	2.2
387.23877	1.2
400.18616	2.0
424.18887	1.8
442.19943	6.8
467.17108	1.7
468.17795	56.5
472.21054	13.5
591.30255	1.4
605.26038	10.4
635.27454	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	635.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91508	0.9
53.01821	0.9
59.01384	100.0
63.83794	0.9
64.34047	1.1
74.73852	1.0
118.95590	1.1
180.57437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64599	0.8
57.03455	1.9
59.01395	6.2
67.73136	0.8
71.01403	3.9
71.22758	1.0
75.00876	24.6
81.28844	0.8
85.02939	1.0
87.00896	4.0
89.02454	1.4
96.96006	1.4
99.00932	6.8
111.00983	1.1
119.05035	9.5
129.01929	12.9
134.03737	1.1
135.04532	91.8
137.26361	1.1
159.02968	7.7
163.04027	11.6
172.09944	0.9
173.62125	1.1
179.03516	100.0
189.08568	1.1
195.05132	90.2
293.12445	1.3
341.08820	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	633.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83585	1.3
52.47989	1.5
53.78063	1.5
54.82241	1.6
56.64390	1.5
57.03486	2.1
57.45980	1.6
59.01396	2.6
71.01380	2.2
77.98174	1.7
78.95922	3.5
78.96674	1.8
79.13963	1.8
80.02684	2.1
83.05038	3.1
95.05035	2.3
97.02965	2.2
97.06602	3.0
99.04552	2.1
108.99940	1.7
109.06622	1.7
115.07635	2.2
116.85270	1.9
118.92754	2.3
125.02483	2.3
125.09727	8.1
127.07622	8.7
135.08148	3.2
135.27594	1.9
139.07716	2.5
152.99722	2.0
153.09238	10.8
163.11278	7.9
171.10280	14.4
178.09978	2.0
185.11845	15.4
186.20033	1.8
191.14478	3.8
197.11885	19.1
207.10234	2.9
209.11861	60.2
238.12138	2.2
245.19118	13.8
256.15927	1.9
289.18164	43.1
307.19199	100.0
325.20267	59.4
615.39178	3.5
633.40118	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83160	0.7
58.90197	0.6
59.01379	6.1
68.90447	0.6
71.03265	0.5
81.75317	0.5
85.02975	2.5
96.95992	2.3
122.06109	5.6
130.81462	0.6
159.05647	1.4
160.06424	14.1
161.07214	19.8
164.28310	0.6
172.06438	5.3
173.07198	9.4
185.07170	1.3
186.07970	0.8
187.08784	3.6
188.09608	1.4
189.10382	9.3
192.05409	1.2
202.07515	8.6
203.08284	10.0
204.05386	0.9
213.06696	1.4
213.10297	1.2
214.07483	3.6
215.08296	11.1
220.08502	0.9
226.07500	0.7
233.09402	1.3
239.08260	0.8
252.86992	0.7
266.13089	0.9
267.10175	4.3
279.10275	0.9
282.12518	19.1
294.12549	29.2
295.13440	0.7
306.12485	1.1
308.13892	1.4
310.15665	8.4
324.13574	34.4
336.13571	24.9
352.16797	1.5
354.14691	35.5
366.88565	0.7
375.14569	1.0
376.13065	2.7
378.14658	1.3
388.13239	0.7
396.15689	100.0
397.15884	1.1
405.15903	0.9
447.16861	0.9
448.15161	1.2
533.20447	10.5
633.25720	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	632.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32542	0.3
53.29979	0.3
56.77380	0.3
59.01377	5.6
59.81172	0.3
61.98840	2.4
75.00871	0.5
106.41551	0.4
109.02922	0.4
109.42132	0.3
115.05531	4.7
115.70119	0.3
116.05051	3.3
119.04993	3.9
120.05386	0.4
121.02962	0.5
125.02457	0.8
128.05086	0.4
130.06616	8.2
131.03740	0.5
132.04549	4.1
135.04506	0.7
144.04565	3.6
146.06131	7.0
149.02483	0.4
151.03899	0.4
157.05312	1.4
158.06114	100.0
159.06381	0.4
161.02470	0.8
163.04010	3.6
174.05600	26.7
176.07243	0.4
177.01965	0.7
191.03563	0.4
191.05579	0.9
192.05922	0.4
202.05121	55.9
203.05475	0.5
220.06178	5.2
259.36789	0.4
262.07217	11.0
289.07193	0.7
496.12109	0.4
579.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70387	0.3
65.68756	0.3
73.02956	0.5
82.31119	0.3
99.00900	0.5
99.92588	9.7
114.93446	0.3
115.68244	0.3
116.92862	100.0
116.97246	3.6
117.01978	1.3
117.92857	0.6
136.08836	0.3
138.07242	0.3
175.07155	0.3
194.03409	0.3
337.65048	0.3
387.35684	0.3
392.79483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91386	0.3
54.08179	0.3
57.56420	0.3
60.15759	0.3
73.02958	0.8
99.00903	0.6
99.92593	10.4
107.73796	0.3
116.92862	100.0
116.97244	4.9
117.01965	0.7
213.51085	0.4
222.25093	0.4
607.73834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67094	3.2
60.65754	4.2
66.29361	3.9
76.57246	4.1
78.95936	4.5
80.29440	4.4
82.05289	4.0
83.05033	6.7
97.06606	4.5
107.05054	7.1
109.06609	5.9
123.04527	5.7
125.09796	6.3
153.09180	26.6
153.64316	4.1
163.11270	18.4
171.10225	17.3
178.09866	5.1
185.11923	10.1
191.10640	4.2
191.14363	8.0
197.11749	9.5
207.10271	18.7
209.11830	100.0
225.11359	6.1
245.19110	6.5
287.16165	6.9
288.18546	4.7
289.18103	63.2
302.17694	4.2
305.17606	77.7
307.19177	62.0
323.07495	4.8
323.18567	16.9
325.20135	17.8
400.23779	6.4
400.38553	6.2
440.24066	4.5
489.40335	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.9
61.56172	3.7
61.73650	4.4
70.19868	3.6
73.73414	3.2
78.95941	3.8
80.45264	3.6
99.09036	3.8
107.05050	6.7
124.42198	4.0
125.09704	17.4
149.39082	3.8
153.09189	6.5
197.11810	8.6
209.11841	100.0
287.16705	4.9
305.17667	93.7
307.19202	17.5
313.66107	4.2
323.18671	35.5
325.20465	5.8
453.89056	4.5
539.66467	4.9
595.37213	5.5
613.37512	16.9
631.39038	8.0
657.90503	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	630.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82468	1.2
58.02969	8.9
59.01390	5.3
61.98836	6.0
71.01404	1.6
74.02462	16.0
74.02805	1.1
82.03035	1.3
86.02478	7.3
86.06105	1.2
86.99105	1.6
87.00867	1.3
87.05643	4.4
87.20361	1.2
90.00221	1.1
94.90184	1.1
96.96005	1.2
97.04089	2.0
99.05645	18.5
101.02426	1.1
101.07251	4.1
102.05619	2.3
108.76381	1.2
109.02965	1.1
109.04127	1.3
111.88858	1.1
112.04055	2.5
113.02463	1.8
119.03467	1.2
124.04074	1.2
125.03494	1.4
127.05132	2.2
128.03535	45.6
129.01965	1.3
135.05637	6.0
141.06709	2.7
143.04633	64.7
145.06178	4.2
146.04590	6.6
153.01952	2.6
153.06657	1.9
154.58244	1.3
160.00726	17.9
161.02412	1.5
166.09894	2.5
166.54877	1.1
167.04628	6.2
167.08263	1.8
177.03381	4.5
179.04677	12.7
185.05745	1.8
192.07809	1.5
198.08885	1.5
210.08911	11.9
254.07835	9.4
255.04901	1.3
256.06177	1.4
272.08875	16.7
288.06552	6.2
306.07697	100.0
378.60724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43298	3.3
59.01377	64.6
66.23274	3.8
69.03468	9.1
71.01394	22.5
78.95931	4.5
80.64852	4.0
85.02970	5.1
89.02464	18.9
92.22816	4.4
101.02459	23.3
111.08149	18.8
113.02441	10.3
116.50751	4.4
161.04466	5.3
193.12326	39.3
199.68510	4.5
221.11769	5.6
223.13387	5.8
235.13332	9.0
253.09288	62.2
286.10156	5.2
315.19684	35.6
333.20734	100.0
431.39859	4.4
593.68665	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	629.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18671	3.1
57.03456	7.4
58.75075	3.3
59.01383	75.6
61.98855	24.2
69.03472	9.0
71.01379	26.2
75.00906	3.8
79.93225	3.2
83.01431	4.7
85.02967	7.2
89.02467	21.4
101.02460	26.1
109.02961	3.8
111.08163	17.0
119.03481	5.7
119.05100	3.6
119.30988	3.6
121.10295	5.1
138.55667	3.7
153.01944	5.9
159.51752	4.5
161.04471	5.7
173.13203	5.2
193.12415	33.4
195.04945	4.0
221.11821	6.2
223.13466	9.1
229.08667	5.1
235.13322	5.3
253.09302	67.7
271.20596	4.7
286.50662	4.2
306.66467	3.9
315.19678	43.6
333.20786	100.0
404.52982	3.9
407.21506	4.2
427.04581	4.2
441.71567	3.8
602.16711	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	629.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84793	1.3
57.03455	8.5
59.01385	12.7
60.69828	1.2
71.01385	10.1
72.99321	2.5
75.00867	31.7
81.03470	1.4
82.36219	1.2
83.01418	2.9
85.02943	15.6
86.37848	1.1
87.00870	9.6
89.02440	2.6
91.65540	1.4
95.91649	1.3
99.00888	12.8
103.66187	1.4
109.02962	6.0
113.02451	7.3
123.04525	2.8
125.02448	29.9
129.01952	22.7
133.02934	2.6
135.04536	16.6
137.02477	9.4
145.03001	1.5
151.04012	5.8
153.01938	2.2
159.03008	13.0
161.02415	13.6
164.01173	15.3
165.01917	5.3
167.10632	1.4
177.01915	6.8
177.04118	2.9
179.03572	5.0
185.68260	1.4
191.05547	1.8
195.05116	100.0
255.03189	1.9
271.06155	16.8
297.04068	8.2
318.82767	1.3
339.07385	2.3
357.08405	18.0
407.11539	7.9
424.96149	1.8
451.10855	2.7
458.90521	1.5
629.15369	26.1
629.93073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99167	0.3
59.01389	1.2
63.02389	0.6
65.00333	0.4
76.00311	0.3
76.57696	0.3
83.01402	1.2
85.02953	0.7
87.00875	0.6
93.03456	1.6
96.96053	0.4
101.02451	0.5
107.01385	2.6
108.02193	0.5
109.02955	8.7
110.03962	0.3
111.00934	0.4
113.02457	2.5
117.03539	0.4
125.02409	1.8
132.02164	0.8
133.02962	5.0
135.00894	2.4
135.04526	5.2
136.01668	0.5
137.02417	0.5
141.07132	0.3
143.05077	1.3
145.02965	0.4
149.02458	0.5
149.06061	0.5
151.00360	3.1
152.01218	2.6
153.01944	14.8
157.06543	0.6
159.04500	1.5
161.02446	15.9
162.02913	0.4
163.00357	3.5
164.01163	0.7
167.05043	0.4
169.01329	0.4
169.06607	1.5
171.04559	0.7
175.04010	2.7
177.05504	0.7
179.03450	3.0
183.04500	0.7
185.06032	3.9
187.04018	4.8
189.05571	1.8
190.19499	0.3
195.02986	10.6
195.04559	0.6
197.06111	1.3
199.04008	1.7
201.05560	0.6
203.03510	5.7
211.04085	3.5
212.04707	0.4
213.05659	3.1
215.03503	0.4
221.04608	0.6
225.04056	1.3
227.03519	43.0
228.04092	0.3
229.05066	16.4
239.03470	2.3
240.04233	1.5
241.05037	1.9
245.04524	0.4
255.02982	73.4
255.04965	4.2
256.03772	5.5
257.04575	9.5
267.03027	1.8
269.04535	0.5
284.03281	86.6
285.04062	100.0
286.04395	1.6
297.06259	1.3
327.05142	1.6
340.41568	0.4
417.08511	2.6
477.10416	6.8
478.10992	0.4
575.14130	10.0
593.15228	88.3
594.15106	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	628.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02279	1.0
53.31448	0.8
53.42760	0.9
57.94703	0.9
58.93521	0.9
59.01379	10.4
69.14387	0.9
71.01399	2.4
72.29581	1.2
73.02975	1.4
78.95960	1.4
80.82525	1.2
85.02965	4.7
88.82030	1.1
89.02455	5.9
96.96017	6.4
101.02470	5.1
109.02952	29.7
109.85560	1.1
113.02456	5.0
119.03521	1.6
119.05002	1.8
123.04588	1.4
128.18201	1.0
132.02234	1.3
133.02956	33.6
134.03664	1.6
135.04523	18.5
145.02985	6.5
152.01173	9.2
152.07210	1.6
153.01947	38.1
154.02272	1.8
154.09077	1.1
159.04518	1.4
161.02455	100.0
162.02896	1.5
175.04004	2.2
177.05603	2.1
179.03477	8.3
179.05769	1.5
180.68877	1.2
187.04111	2.6
195.03023	28.2
196.03326	4.4
203.03535	5.6
221.04564	1.5
255.05119	13.6
256.05405	1.2
330.12061	20.0
401.08810	5.3
402.09177	5.8
426.96310	1.1
429.12280	1.2
461.10886	1.3
462.11340	2.2
466.13586	10.1
492.15274	12.8
584.18134	5.0
628.16870	47.7
628.24988	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	627.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85139	0.1
58.16529	0.2
74.09332	0.2
105.13900	0.2
113.03731	0.2
153.89394	0.2
269.24893	100.0
270.25235	1.2
325.79102	0.2
352.01245	0.2
374.23383	0.2
495.86282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89989	0.6
59.01382	7.9
63.53593	0.7
64.47278	0.7
66.34392	0.7
71.01347	0.7
72.99313	6.2
78.78072	0.8
87.00875	18.6
91.18124	0.7
103.00359	3.4
105.01981	0.9
105.03477	1.0
107.05052	1.8
119.05030	5.9
129.01964	1.0
130.99936	1.2
133.02943	5.0
134.03763	7.0
135.04526	100.0
149.00919	85.7
152.74315	0.9
153.01904	1.1
155.63861	0.7
161.02475	1.1
162.68130	0.8
163.03989	8.0
177.01926	1.3
179.03510	98.9
195.05070	1.7
250.87248	0.7
295.04715	0.7
311.04175	11.7
315.07175	1.6
343.71979	0.7
351.15628	0.7
437.50461	0.8
569.35822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
65.29174	0.8
71.01378	1.6
71.66547	0.8
73.02954	0.7
85.02938	1.1
92.65691	0.8
93.03453	0.9
107.55307	0.9
109.02963	5.2
110.03208	0.9
112.09627	0.8
113.02441	1.5
113.91409	0.8
116.92872	4.6
121.02962	6.8
122.03712	1.8
125.02491	0.9
133.02936	1.7
135.04535	5.5
137.02454	1.4
149.02452	100.0
150.03224	22.3
152.01151	3.7
153.01939	8.1
161.02470	2.0
164.04836	17.7
165.05566	25.1
166.06328	3.5
167.07143	5.7
174.29793	0.8
179.03488	1.3
180.04027	0.9
181.08751	1.3
195.03009	6.5
195.06653	8.2
229.72755	0.9
255.05093	1.7
280.76453	0.9
283.09845	1.7
314.11658	33.0
329.14001	88.6
371.14923	4.0
377.11765	1.4
377.16077	14.8
495.11560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.5
55.97316	0.4
57.03451	5.1
58.00592	0.8
59.01382	63.3
68.99821	0.6
69.03448	0.9
70.81528	0.5
71.01379	21.6
71.01781	0.9
72.99316	2.2
73.02942	7.7
75.00860	0.6
81.03439	0.6
83.01379	7.8
85.02943	15.8
86.00121	2.3
87.00890	2.4
89.02443	2.6
93.03454	2.6
95.01400	3.8
95.05012	0.8
97.02941	1.1
98.00826	0.5
99.00855	3.7
101.02435	17.0
105.03468	0.5
108.02188	2.1
109.02946	8.6
110.58474	0.5
111.00881	2.2
112.01680	2.4
113.02443	10.5
119.05008	0.6
121.02946	11.5
122.03728	12.5
123.04510	2.8
124.01663	0.8
125.02461	2.2
125.40192	0.5
132.02158	4.0
133.02953	23.2
134.03731	4.1
135.04523	6.7
136.01665	2.2
137.02437	6.1
145.03029	0.6
147.04512	3.9
148.05284	0.6
149.02443	93.1
149.06035	4.3
150.03229	100.0
151.03934	1.1
152.01176	2.6
153.00708	0.6
153.01939	17.0
161.02444	11.2
161.04536	0.7
162.03223	1.0
163.04002	1.7
164.04790	17.2
165.05563	67.4
166.06346	8.6
167.07141	2.6
175.03941	1.0
177.05560	1.1
179.03473	2.2
180.04292	5.1
181.08708	11.0
195.02989	12.0
195.06638	17.1
203.03474	4.7
225.04018	1.1
231.78006	0.6
255.05138	5.1
270.09048	2.2
271.09961	0.7
283.09760	2.1
297.06216	3.4
297.11313	0.7
305.80994	0.5
306.26520	0.6
310.10532	0.9
314.11597	9.9
315.12338	3.1
325.12906	13.3
329.13977	26.4
343.14203	5.7
357.15573	0.8
385.15286	1.0
406.52478	0.5
413.16156	0.8
417.08469	2.0
435.09283	2.1
443.17334	0.9
458.15915	2.2
473.18204	67.9
477.10416	5.4
491.19266	32.8
492.19693	0.6
495.11670	5.2
512.98956	0.6
521.20459	3.6
533.20306	40.8
539.21283	6.9
563.21442	0.7
575.14032	1.8
581.22491	30.8
582.23273	0.8
593.15613	0.6
650.04071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66916	0.2
56.28527	0.2
57.03453	4.5
59.01378	2.8
59.52638	0.3
60.76699	0.2
67.01898	0.6
71.01389	1.7
81.03466	0.7
83.01392	0.7
83.05034	0.6
84.95815	0.3
85.02953	11.6
85.03454	0.4
87.00871	4.3
93.03455	7.7
95.01379	0.3
99.00909	0.4
107.05025	0.3
109.02966	5.0
111.04516	1.3
113.02468	1.4
119.05052	1.8
121.02972	0.5
121.21582	0.4
123.04533	1.9
124.01665	0.4
125.02444	30.0
127.04002	3.2
133.02951	4.4
135.04529	3.9
136.04849	0.5
137.02486	2.5
143.05022	0.5
145.02974	1.4
149.02481	1.2
150.03226	2.2
151.04015	2.0
153.01924	3.1
154.02271	0.6
161.02460	14.9
162.02882	1.9
163.04115	0.4
164.01152	4.5
165.01938	1.9
171.03021	0.6
173.04565	2.1
173.05914	0.4
175.04016	0.4
177.01938	7.3
178.02782	0.3
179.03568	1.1
187.04047	0.5
187.28242	0.3
191.05634	100.0
192.05991	0.6
193.06599	0.7
195.03011	1.2
199.04236	0.4
201.05653	0.5
209.06116	0.4
215.07004	0.4
225.05618	0.6
227.03564	0.5
229.05168	0.4
237.05545	0.5
243.06754	0.3
253.05080	1.4
255.02664	0.3
255.06590	1.4
263.06674	0.3
267.06689	1.5
269.04675	1.1
269.07779	0.3
271.06180	1.3
281.04584	16.6
281.07709	0.8
282.05240	1.3
283.06134	1.9
285.07654	1.9
287.05490	1.5
297.04004	6.0
299.05557	0.4
307.06192	0.4
321.11261	0.4
347.09436	0.5
353.08908	5.0
371.09396	0.3
389.10278	1.2
407.11349	1.8
433.09470	6.0
451.09808	0.3
549.11340	0.5
575.13226	0.3
593.14020	1.4
625.15674	19.2
625.25940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56737	0.5
57.03460	0.9
57.89006	0.5
59.01385	16.2
60.10707	0.5
61.11180	0.5
71.01395	3.6
71.29506	0.5
73.02966	2.9
75.00896	0.9
75.61919	0.5
83.01408	2.3
85.02962	3.0
87.00900	0.7
87.04526	0.7
89.02458	2.7
97.02981	0.5
97.06600	2.4
98.44466	0.6
101.02428	5.5
109.02994	1.1
113.02459	3.7
120.04552	0.6
120.83710	0.5
122.06110	7.1
125.02438	0.6
129.01949	2.9
137.02325	0.7
145.07727	0.9
146.04877	0.5
153.01949	2.6
159.05681	0.9
160.06412	18.9
160.07628	0.8
161.02464	3.8
161.07227	12.4
171.14011	0.6
172.06465	3.8
173.07193	6.6
186.08017	3.2
187.08775	5.2
188.09511	2.8
189.10352	16.9
192.05391	2.6
195.04951	0.7
198.07861	0.7
199.08812	1.0
215.08324	8.1
215.68082	0.5
220.08553	3.1
225.40776	0.6
233.09332	2.2
241.05052	1.1
243.96332	0.6
266.09344	0.8
267.02957	1.2
267.10175	4.5
269.04581	2.7
279.10141	0.8
280.10840	0.7
281.11508	0.7
282.12488	28.8
294.12531	13.1
295.02551	2.3
295.13174	1.1
308.14096	3.7
310.15646	15.3
313.03522	0.8
320.14145	2.0
322.94583	0.6
334.15869	0.9
336.13583	14.6
336.17191	1.6
352.34137	0.7
354.14642	100.0
355.14886	1.2
373.26001	0.7
374.26453	0.8
375.27521	5.8
380.16074	6.2
392.16385	0.6
394.17664	0.8
398.11975	1.4
398.17218	40.6
457.07706	1.0
468.17679	2.0
499.23511	2.3
519.31842	10.1
537.32776	2.3
579.33966	3.8
587.10468	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03452	1.5
59.01387	14.9
68.76694	0.6
69.03481	0.6
71.01385	3.6
73.02956	3.7
79.05537	0.6
85.02973	1.5
87.00839	0.7
88.98826	0.8
89.02456	0.8
96.96011	0.9
97.06573	2.8
98.06940	0.7
101.02448	3.4
109.02980	3.4
113.02467	1.4
116.64014	0.7
122.06132	6.9
125.02467	1.1
129.01984	0.7
133.02975	0.9
135.04559	1.4
137.02455	0.9
145.07716	0.9
147.05664	0.6
153.01932	1.5
159.05652	2.6
160.06435	22.7
161.02443	3.6
161.07237	13.2
164.01102	0.7
171.10258	0.9
172.06427	4.3
173.07204	6.6
186.07977	3.9
187.08852	5.9
188.09569	2.5
189.10335	15.1
192.05380	2.8
195.05029	0.8
198.07922	0.9
199.08698	1.0
211.13423	1.1
213.10402	0.8
214.07364	0.8
215.08307	6.1
215.11893	1.2
218.07062	0.7
220.08530	2.6
229.14499	0.7
233.09283	2.8
253.09465	1.3
257.17529	2.9
258.17969	1.6
259.18021	2.5
266.09216	1.4
267.10156	4.5
279.10199	1.0
282.12509	27.3
294.12555	12.3
295.13129	1.1
297.06165	0.6
308.13989	5.6
310.15634	16.1
310.48236	0.7
320.13928	1.0
327.21667	4.5
334.15521	0.8
336.13596	14.0
336.17282	2.4
345.25443	1.4
354.14655	100.0
355.15262	2.3
357.26166	2.6
373.26010	11.0
374.26404	11.8
375.27167	26.3
380.16122	5.6
392.15845	1.0
394.17441	1.1
398.17255	39.9
452.26212	0.7
464.34891	0.6
517.25104	0.9
519.31702	3.9
537.32281	1.3
563.30780	0.9
579.33655	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	623.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01386	8.9
71.01385	1.5
75.00883	1.0
83.01395	0.5
85.02928	0.6
88.05441	0.5
89.02445	0.7
93.03451	1.1
96.95988	3.5
109.02959	31.2
113.02436	0.9
119.05032	5.1
121.02932	3.6
123.00797	0.7
123.04508	1.4
125.02432	1.1
129.01970	1.0
133.02942	4.9
135.04498	4.4
136.01660	14.0
137.02423	1.4
145.02954	2.6
146.03714	4.5
147.04529	2.5
149.02373	0.7
151.04007	17.4
153.01950	0.8
158.03732	1.1
159.04533	1.2
160.05307	1.1
161.02440	6.3
161.06114	4.5
163.04028	5.5
171.04471	0.6
172.05304	2.6
173.05983	1.5
175.03972	8.8
176.04779	6.8
179.03493	2.5
187.03958	1.0
189.05626	5.2
190.06355	4.7
191.07153	7.8
195.03107	0.8
195.05038	2.7
205.08574	0.6
223.07657	1.2
225.05602	0.6
239.07150	4.5
249.05650	1.3
250.06339	1.3
251.07144	3.2
261.05563	1.0
266.05923	2.5
267.06644	60.2
268.07318	1.0
270.47931	0.7
277.05212	0.7
278.05847	1.2
279.06696	10.6
281.08215	0.9
282.08990	51.1
283.09314	0.8
293.08145	1.1
294.09091	5.6
297.07910	6.0
297.11322	100.0
298.11728	1.5
300.01086	0.7
309.11273	1.1
309.23065	0.7
312.10037	17.2
327.09091	2.2
327.12418	58.9
328.12830	0.7
341.08832	0.8
345.13477	34.2
357.13425	7.7
375.14536	45.2
377.42688	0.7
399.95966	0.7
579.21057	5.2
634.49652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31324	0.7
54.12241	0.7
55.01883	0.8
55.78939	0.8
57.03461	1.7
59.01390	72.3
71.01388	24.7
73.02953	36.2
73.03354	1.2
75.00911	0.9
83.01393	11.2
85.02963	9.9
87.00909	2.2
89.02441	6.8
93.03472	3.4
95.01370	1.3
95.05022	0.8
99.00864	1.3
101.02444	27.8
107.13847	0.9
108.02130	1.0
109.02950	4.7
113.02465	12.2
113.05878	0.9
119.03520	1.7
121.02978	8.0
122.03751	14.4
123.04539	3.8
125.02474	1.3
131.03461	1.8
132.02158	1.2
133.02969	10.1
134.03755	2.2
135.04524	12.5
136.01677	1.9
137.02426	2.0
145.02953	5.3
146.03743	5.5
147.04555	1.7
149.02449	87.2
149.04459	4.2
150.03236	100.0
151.04028	1.1
151.39169	1.2
153.01929	4.3
161.02461	10.4
161.04556	10.0
161.05827	1.4
162.03217	6.8
163.03992	3.9
164.04788	22.7
165.05576	72.5
177.01894	2.1
177.05545	5.2
179.03476	6.7
179.07170	4.4
180.04308	6.6
187.04033	1.4
195.02994	3.6
195.06648	24.3
221.06667	2.1
255.05066	1.2
269.08340	1.3
283.09717	6.0
309.11563	1.2
312.10080	20.8
327.12418	82.9
339.12418	3.7
375.10641	1.8
471.16577	10.1
519.19012	1.1
531.18835	9.0
537.19843	3.1
579.20880	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	623.163
Annotation	Isorhamnetin 3-O-rutinoside
Peak:m/z	Relative Intensity
55.01884	0.4
57.03456	1.1
59.01381	2.4
60.49287	0.3
65.54678	0.4
70.73267	0.3
71.01385	2.1
73.02951	0.6
74.91583	0.2
75.32523	0.2
83.01373	0.5
84.86540	0.3
84.99380	0.3
85.02951	7.8
87.00880	8.8
91.01924	0.6
95.01396	0.4
99.35184	0.3
101.02448	1.9
108.02182	0.4
109.02957	22.2
111.00862	0.6
113.02454	16.8
123.04543	0.4
125.02438	0.4
132.02177	2.1
133.02956	36.7
134.03680	0.3
135.04536	8.9
137.02473	0.3
151.04030	0.6
151.11804	0.3
152.01152	3.6
153.01949	48.2
161.02452	100.0
162.02815	1.3
163.03987	0.4
175.03992	1.2
177.02000	0.7
177.05513	0.7
179.03499	4.8
187.18176	0.3
195.02982	8.3
203.03555	2.7
225.04114	3.7
238.60141	0.3
243.02914	1.3
245.04636	0.4
255.03044	0.3
255.05226	3.9
261.07596	0.3
271.02524	1.6
279.05222	1.3
297.06174	20.1
299.02127	1.3
300.02866	1.3
314.04279	0.4
315.05164	1.9
323.04294	0.9
323.07825	2.2
399.07526	0.3
417.08417	1.8
459.09430	8.5
477.10434	6.7
519.31976	1.1
547.11053	29.9
548.11597	0.6
573.12646	10.2
591.13690	25.9
592.14044	0.4
623.16272	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	623.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97275	0.4
59.01383	5.1
71.01395	2.2
73.02939	3.7
77.03943	0.5
82.95410	0.7
83.01380	0.5
87.00864	0.4
89.03956	0.5
91.02307	0.4
101.02483	1.6
105.03455	2.5
108.02206	0.8
109.02978	3.6
113.02470	0.7
117.03470	1.7
119.05043	0.5
121.02958	2.1
122.03745	1.0
123.04510	0.9
125.02369	0.5
132.02173	15.1
133.02953	48.6
134.03732	5.2
135.04524	22.4
135.05423	0.5
135.05602	0.6
136.01634	1.9
137.02437	3.8
139.04010	0.8
145.02946	0.5
146.03760	5.7
147.04500	1.0
149.02457	5.0
149.06114	2.7
150.03227	12.9
151.04027	2.0
152.01320	0.4
153.01933	0.7
159.04495	2.0
160.01668	24.3
161.02446	100.0
161.06097	2.8
162.02895	0.8
164.04800	4.0
165.05568	11.8
175.04050	2.8
176.04832	0.6
177.01935	11.5
177.05591	2.3
178.02716	5.4
179.02034	0.9
179.03502	17.1
179.07106	7.0
180.04230	0.5
184.28969	0.4
186.03156	0.4
187.04004	0.6
189.05588	1.0
190.06343	0.5
193.94553	0.4
195.02948	0.5
195.06635	6.1
203.03523	3.7
215.03563	2.5
220.03841	0.5
221.04680	1.5
233.04515	2.3
267.06683	1.6
279.06601	0.7
289.29745	0.4
297.07791	0.5
297.11185	0.8
309.07800	0.5
312.10028	3.0
327.08749	2.4
327.12442	8.8
339.08896	3.4
341.08694	0.7
345.13327	0.5
357.09854	3.1
357.13678	0.8
368.48441	0.4
375.10645	0.8
381.09579	0.9
382.09106	17.2
383.09875	21.0
437.11050	2.8
531.14923	0.8
561.16034	1.8
579.17468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91499	0.3
55.01878	0.5
57.03462	0.7
59.01388	5.8
62.28404	0.4
63.57307	0.4
65.00382	0.4
67.01885	0.5
68.10501	0.4
71.01378	3.0
72.99313	0.4
73.02961	0.4
75.00861	0.9
78.95905	3.9
79.95730	2.2
81.03442	3.6
83.01386	0.7
85.02943	5.7
87.00874	0.6
89.02446	0.9
93.03498	0.4
95.01394	2.0
96.96006	100.0
96.96900	6.2
97.02971	0.4
99.00878	0.4
99.04559	0.7
101.02438	7.3
107.01370	1.7
109.02967	2.3
111.00878	2.4
113.02464	0.8
119.05023	0.7
121.02961	1.0
123.00854	2.2
125.02460	3.8
127.04067	0.7
129.01938	30.0
132.02138	0.8
133.01442	0.8
133.02954	24.6
134.03749	0.6
135.02989	0.5
135.04521	11.8
151.00385	7.6
160.01624	0.8
161.02449	88.8
162.02751	0.5
163.03967	0.6
167.03464	0.8
175.04097	0.6
177.05568	0.5
179.03514	7.1
185.06000	0.6
195.04662	0.7
197.06299	0.8
203.03494	2.3
203.07152	0.8
213.05600	1.8
223.04082	0.7
224.04823	2.1
225.05563	0.6
229.05089	0.6
240.04233	0.7
241.05144	5.4
243.06555	0.8
267.02802	0.6
269.04578	21.4
287.05695	0.9
289.07248	0.6
291.07355	0.7
313.03714	2.7
323.07861	0.7
341.08597	2.9
409.11273	0.6
453.10434	47.6
454.10397	0.4
605.11816	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	621.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42958	0.2
50.69944	0.2
51.04548	0.2
57.03457	1.3
58.00593	0.8
58.90690	0.2
59.01385	4.6
71.01380	1.9
73.02946	1.5
79.05530	0.2
80.17204	0.2
83.01414	0.3
83.05030	0.2
85.02958	0.5
87.04533	1.1
89.02444	0.4
91.63681	0.2
92.10800	0.5
93.07103	0.3
95.01374	0.3
95.05040	0.4
97.02942	0.2
97.06585	6.6
101.02437	0.9
109.02966	0.4
109.06602	0.5
113.02441	0.3
121.83525	0.3
125.02484	0.3
125.09727	1.0
128.95059	0.2
155.10785	0.4
171.10281	1.2
183.13910	1.4
185.11826	2.4
185.15465	0.8
199.13591	0.2
201.11354	0.5
211.17030	0.3
213.15005	3.8
225.15004	1.4
227.16548	6.1
239.16498	3.3
241.18106	0.5
255.16016	2.0
257.17618	20.7
271.19205	1.2
279.23389	0.3
295.23029	0.2
307.22983	1.1
313.23846	0.5
325.23883	1.4
337.23788	0.5
343.24954	5.8
355.24930	7.9
371.24744	0.3
373.26010	100.0
374.26373	1.0
384.71997	0.2
415.26999	1.7
517.30206	0.4
535.31317	1.7
577.32465	9.9
621.29462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82339	0.4
55.01881	0.3
57.03467	2.7
59.01383	6.2
61.79504	0.3
71.01382	3.4
72.99314	0.9
75.00877	30.3
78.03072	0.4
85.02969	4.0
87.00885	4.2
89.02457	3.5
89.84357	0.4
92.10176	0.6
96.96013	1.8
97.02943	0.5
99.00884	7.8
99.04495	0.4
101.02455	0.6
102.98618	0.4
107.05038	0.6
111.00896	0.6
113.02445	0.4
119.05022	3.7
129.01944	14.7
134.03761	2.9
135.04530	22.1
141.02007	0.5
149.00943	0.7
159.02998	8.7
161.02409	1.5
163.04002	4.7
169.07643	0.4
177.04060	1.8
179.03514	10.1
193.05064	0.5
195.05116	100.0
220.16570	0.4
233.58733	0.4
242.21713	0.4
293.93774	0.5
357.08249	6.3
566.11078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.9
70.57373	0.5
71.01394	4.8
73.02950	8.3
77.72009	0.5
81.20024	0.5
83.01392	2.5
85.02972	1.0
87.00871	0.8
92.10027	0.9
93.03469	0.9
94.91292	0.5
101.02435	3.3
107.54857	0.5
108.02185	1.3
109.02929	1.0
111.35824	0.5
111.67157	0.6
113.02446	1.1
121.02952	18.3
122.03745	1.3
123.04533	3.9
134.03755	0.8
135.04527	3.1
136.01656	17.2
145.02950	2.6
147.04538	3.3
149.06085	0.7
151.02847	1.0
151.04024	23.9
153.01881	0.7
159.04475	0.6
160.05315	0.8
161.02457	2.8
162.06818	0.8
175.07660	0.7
177.05528	0.5
193.05048	0.7
194.05820	0.9
203.39021	0.6
211.07657	0.6
212.04797	0.6
213.11412	0.5
223.07649	1.0
225.05534	1.1
225.09248	0.9
226.06349	0.8
235.07570	0.8
237.05658	2.9
239.07150	3.5
240.04301	2.3
241.05092	2.7
241.08688	3.3
249.05644	0.8
251.07181	2.5
252.07970	2.1
253.05029	2.3
253.08688	2.5
254.05856	3.1
255.06664	7.3
256.07413	0.8
263.07162	2.1
264.07849	1.1
265.08575	2.2
266.05975	0.6
267.06708	12.3
267.09930	1.7
268.07428	7.4
269.05307	1.4
269.08209	36.1
272.07007	0.6
279.06647	1.0
280.07428	5.6
281.08228	10.5
283.09775	23.9
284.10562	7.6
295.06415	1.3
295.09750	7.9
296.10559	3.1
298.08347	0.7
299.12900	2.2
309.07761	2.7
310.08521	1.0
311.09290	20.4
312.09937	0.9
323.09402	1.0
324.09698	0.7
325.07199	2.0
325.10794	5.1
328.09467	9.9
337.11008	1.1
339.12296	1.2
340.09564	24.4
342.11029	2.6
343.11917	100.0
355.11911	45.8
355.16425	1.1
357.13480	23.4
367.11826	0.7
373.12994	13.0
382.10617	0.6
385.12854	8.0
397.12866	3.4
637.31415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.6
59.01383	27.1
61.46790	1.1
71.01374	11.5
73.02951	10.6
74.97265	1.1
81.50717	1.4
83.01406	2.1
85.02969	7.8
87.00871	10.5
89.02464	2.0
96.29237	1.2
96.96004	1.8
99.00910	1.8
100.90500	1.3
101.02403	9.0
109.02961	17.6
111.00912	2.5
113.02451	15.3
121.02952	6.5
129.01903	1.6
130.19107	1.4
131.72340	1.3
133.02931	18.7
134.03755	40.6
135.04552	9.1
136.01639	7.6
137.02426	12.1
139.04114	1.3
141.01979	1.8
145.02998	2.1
147.04510	8.1
148.05299	1.8
149.02449	3.0
149.06100	19.5
151.04016	8.5
152.01172	1.7
153.01953	20.8
160.01685	13.8
161.02457	27.0
175.04018	13.2
176.04810	12.1
177.01991	2.0
178.02742	34.0
179.03439	6.2
187.07646	2.2
191.07230	10.7
193.05078	100.0
195.02983	8.3
203.03502	2.2
213.05577	2.6
220.03613	1.7
223.04094	1.7
224.05029	1.5
231.06709	1.4
235.06030	14.6
239.03317	1.5
241.05182	9.6
251.06580	1.3
255.05098	3.0
257.07977	1.6
266.02161	2.0
267.02969	7.2
267.06757	1.5
269.04614	19.2
281.08176	2.8
293.08066	2.0
295.02628	9.0
300.83218	1.3
309.07718	11.9
313.03537	11.3
324.09750	5.3
339.12357	5.7
341.10297	2.1
342.10684	2.0
353.10226	2.5
355.04517	1.5
355.11307	2.2
355.24969	2.8
357.13406	2.9
372.11905	1.9
373.12863	13.4
373.26080	27.6
378.18723	1.4
415.06863	2.6
417.08246	1.7
457.07843	10.9
477.10532	2.0
511.63931	1.5
517.30164	3.1
545.09454	10.8
577.32050	3.1
589.12201	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	620.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30545	1.3
57.03456	10.3
59.01387	8.5
59.26837	1.5
61.98832	66.2
64.29115	1.3
65.00326	3.5
66.85827	1.5
71.01399	1.4
78.95910	2.2
81.03445	2.3
83.00943	2.7
83.01379	19.8
84.87044	1.7
89.02444	2.6
93.03460	3.0
107.01379	7.9
119.05016	34.7
123.04524	39.7
125.02441	64.3
125.03310	3.0
143.05032	2.0
151.00395	22.8
159.62308	1.9
161.02432	1.7
167.03502	100.0
175.04039	3.5
184.76060	1.6
185.56738	1.8
187.03952	3.2
197.02577	2.2
199.03987	8.5
201.01927	11.0
213.01990	3.1
223.04063	6.1
239.03505	6.6
241.04967	2.4
243.02994	10.4
256.00131	5.7
267.02997	32.6
269.00897	32.5
283.02692	3.0
283.13321	3.2
285.04074	10.6
311.02002	35.6
374.14151	1.7
376.05920	3.4
387.08859	3.9
389.06738	42.2
405.09772	11.9
431.07718	11.3
557.10950	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69238	1.1
57.03461	6.4
59.01396	9.0
59.37989	1.2
60.98709	1.1
61.98840	100.0
62.15306	1.0
65.00354	1.9
65.23973	1.1
71.01385	1.6
78.87988	1.4
78.95911	17.9
81.03474	2.2
83.01387	10.0
84.89224	1.3
87.00919	2.1
93.03446	2.3
95.01427	1.3
96.95957	1.5
96.96963	6.1
97.32796	1.4
101.02475	1.3
102.95541	1.1
107.01392	5.2
119.05016	21.3
123.04535	18.9
125.02452	41.1
133.02937	6.8
143.05038	1.5
149.00905	2.5
151.00337	12.8
161.02423	1.4
167.03500	63.1
167.04913	2.5
175.04007	5.0
177.01895	1.8
189.01776	1.5
199.04059	5.5
201.01933	7.0
213.02058	2.4
217.05045	1.2
223.04065	1.8
225.01976	1.5
226.04248	1.3
228.04285	1.8
239.03574	2.7
243.02963	6.9
254.00996	1.3
256.00116	2.9
267.03015	21.3
269.00876	19.2
283.02292	1.4
285.04114	6.4
308.50208	1.5
311.02017	24.3
346.05643	6.9
371.24338	2.6
382.16742	1.5
387.08713	3.0
389.06750	26.9
405.09695	2.4
431.07770	6.1
463.15085	5.5
557.10919	37.8
620.25031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2893
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
51.91412	0.7
54.24813	1.0
59.01391	7.0
60.86637	0.9
61.98843	1.1
62.41459	0.9
69.27811	0.9
69.55186	0.9
78.95903	72.0
96.96951	15.7
149.48256	1.1
150.84492	1.1
152.99597	91.9
171.00627	1.7
223.00134	12.2
241.01213	24.7
259.02310	1.4
259.24326	5.9
291.03186	1.2
303.23322	31.6
315.04916	12.1
619.29022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52534	1.3
52.28072	1.1
57.03469	3.8
57.06332	1.3
59.01392	14.1
61.98840	100.0
65.00352	1.4
71.01377	2.2
78.95924	1.8
81.03474	1.4
83.01401	8.1
85.02988	2.0
87.00883	2.9
89.80392	1.5
90.61489	1.5
92.65154	1.7
93.03469	2.1
109.50805	1.5
111.37256	1.5
112.57143	1.8
113.02412	1.8
119.05016	16.5
123.04522	17.9
125.02452	32.2
133.02953	2.2
149.00893	6.5
151.00374	13.1
167.03517	57.5
167.30257	1.7
173.02335	2.8
185.06036	1.8
187.03978	2.2
195.18156	1.5
199.04021	3.6
201.02040	3.3
223.04053	2.2
243.02913	3.5
256.00122	2.5
267.03043	15.2
269.01019	17.2
283.13446	2.2
285.04156	7.9
311.01801	16.5
327.25479	3.6
371.24316	2.1
387.08691	2.4
389.06677	23.8
405.09772	2.9
431.07834	3.3
459.04327	1.6
527.85004	1.8
557.10840	28.9
575.34155	6.4
576.34540	2.9
622.57416	1.8
640.53949	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	619.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05383	0.5
50.37072	0.4
58.02973	0.5
59.01385	1.2
64.67674	0.4
66.03502	0.7
71.01378	0.8
71.31160	0.5
82.32597	0.6
92.05054	0.9
94.06625	3.1
96.04569	2.4
96.95991	0.8
108.04557	1.3
109.02971	1.2
120.03757	0.8
120.04555	9.5
122.06155	5.0
134.06111	4.0
136.07678	13.0
138.05603	2.6
138.09221	3.7
140.07167	0.7
142.69754	0.6
146.06079	0.6
147.03261	1.1
148.04062	38.8
148.07664	0.7
149.01115	0.8
149.04807	4.3
150.01967	1.2
150.05609	38.7
150.51845	0.5
160.04025	9.6
160.07660	0.7
161.02354	0.8
161.03612	0.8
161.04840	13.2
161.07143	1.0
162.04333	1.7
162.05611	11.9
163.02721	0.9
164.03561	3.4
172.04036	0.9
172.07658	1.9
173.03529	2.6
173.04814	10.7
174.04294	4.5
174.05634	2.0
174.09183	0.6
175.05095	3.6
175.06322	1.2
176.05899	14.3
176.07227	3.2
177.06612	0.7
179.08269	6.3
185.08395	3.1
185.09753	2.4
186.05617	3.1
186.09248	2.3
187.06355	3.1
188.05904	1.3
189.06615	2.6
190.08698	2.0
198.05615	3.1
198.23285	0.6
199.06410	3.4
200.07243	4.3
200.10831	5.7
201.06589	0.9
201.08167	0.9
202.03868	1.2
202.07187	5.8
202.08881	3.1
202.12415	1.2
203.04590	2.3
203.08286	3.6
204.08960	1.1
212.07191	2.9
213.06201	0.7
213.08008	7.0
214.08794	4.9
215.04697	1.1
215.08295	5.0
216.05421	6.8
216.08858	4.0
217.09837	6.9
217.13306	0.8
226.08830	0.6
227.11925	0.8
228.06671	4.4
228.10339	54.7
229.06177	0.7
229.11232	5.6
230.06857	2.0
230.10606	2.6
242.06818	1.0
243.07768	32.6
243.11421	6.9
244.08542	73.6
244.12318	3.6
245.09291	49.0
245.12944	35.4
255.07654	2.1
256.08524	1.2
257.09256	1.3
270.10165	1.2
271.10880	12.4
272.09299	56.6
273.10016	2.8
283.10803	0.6
287.10632	4.0
287.13446	0.7
288.11243	4.3
289.11972	46.7
315.09909	47.9
339.12347	1.3
371.24414	6.7
382.17764	9.3
408.19403	1.3
412.18613	4.8
426.20377	2.8
431.09277	0.6
434.17599	0.9
451.17426	6.3
452.18338	100.0
453.18576	2.2
456.21463	24.2
509.78238	0.6
571.25720	0.8
589.26831	4.1
601.27271	0.8
619.27795	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.257
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.47560	1.4
78.95914	3.1
96.95998	2.0
98.26146	2.3
107.93131	2.0
110.12415	2.2
132.22655	2.0
255.54156	2.3
389.15372	2.4
401.13684	2.4
415.15836	2.5
416.16467	11.8
448.04483	2.3
458.17630	2.3
459.18341	100.0
473.20099	13.6
474.20749	2.3
490.27509	2.0
494.38010	2.3
518.19611	35.2
532.21161	3.6
533.22046	48.5
587.22809	3.3
619.10278	3.9
619.25647	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	619.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26799	0.6
59.01390	26.7
61.98835	0.6
66.34632	0.5
71.01392	9.3
73.02969	1.0
73.46054	0.5
75.00890	0.9
80.74609	0.6
83.01386	1.0
85.02966	4.4
85.06586	6.8
87.00879	2.7
89.02445	15.4
93.03454	0.7
93.60615	0.6
96.96029	1.0
101.02428	9.9
105.03468	1.5
109.02954	1.1
110.12341	0.6
113.02461	5.9
113.06065	1.3
115.07678	0.8
117.03551	0.8
119.03552	5.1
119.05020	100.0
120.05357	0.9
125.02431	0.6
127.07673	0.9
128.90126	1.1
129.01920	0.8
131.07132	34.0
133.02948	12.4
135.04530	1.2
145.02962	6.2
149.06065	1.5
159.04507	0.8
161.02415	2.8
161.06047	1.0
163.04012	74.9
165.04002	0.7
165.45956	0.6
173.08174	0.8
177.01933	6.3
179.03511	2.6
179.05606	0.7
187.04051	1.6
191.05589	1.0
193.94598	0.6
209.08191	1.2
211.31783	0.6
263.03119	0.6
293.12442	80.4
310.26129	0.6
325.05884	1.0
325.09344	9.7
339.04895	0.6
371.13391	3.3
394.00714	0.7
411.64087	0.8
424.91013	0.8
619.13208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06342	0.4
58.68700	0.3
59.01381	9.0
61.06097	0.3
61.13393	0.3
68.23372	0.3
69.03459	0.5
71.01372	5.6
73.02939	6.7
81.03458	0.3
83.01384	0.9
85.02979	0.9
89.02433	0.6
89.17779	0.4
96.96009	3.1
97.02973	0.7
101.02432	2.6
108.02155	2.2
109.02962	1.7
113.02445	1.9
117.03437	0.8
119.05045	1.8
121.02953	5.4
123.04520	1.7
125.02428	0.7
133.02959	1.6
134.03769	0.5
135.04526	1.6
145.02988	3.0
146.03728	0.9
147.04547	3.0
148.05324	3.2
149.02400	0.6
151.00455	0.5
153.01897	0.5
159.04485	1.6
160.05309	0.9
161.02451	2.3
161.06090	0.8
173.02441	2.0
174.03198	5.7
175.04117	0.6
176.04723	1.0
179.03477	0.6
180.04300	0.6
187.04088	0.7
188.04869	0.7
191.03490	3.8
191.07108	3.7
192.04256	0.9
193.05045	0.5
193.06654	0.7
194.05772	0.7
195.02933	0.5
195.04553	0.8
195.08162	1.8
196.05363	0.7
197.06041	0.8
202.02771	1.8
205.06610	0.7
206.02138	1.3
206.07375	0.7
207.08281	3.0
209.06151	2.2
211.07666	2.4
215.03517	2.6
220.03703	1.6
221.06151	4.0
222.06859	3.3
223.07652	4.5
224.04884	0.9
225.05618	1.5
229.05069	2.0
232.05385	0.6
233.06183	4.6
234.06851	1.7
235.04013	0.8
235.07793	4.9
237.05577	5.9
237.09183	0.6
238.04790	2.4
238.06755	0.5
239.07169	10.1
240.04218	0.7
241.05031	1.8
247.03807	0.5
247.07683	0.5
248.04694	1.8
248.08290	0.6
249.05576	7.9
249.09258	0.5
250.06381	7.4
251.07147	21.6
252.07898	2.1
253.04948	1.6
253.08824	0.5
255.05078	0.4
256.07416	0.5
257.08347	0.6
260.04770	0.7
261.05530	4.3
262.06299	4.3
263.07123	12.3
264.04767	0.7
264.07913	5.9
265.05154	6.2
265.08521	3.9
266.05823	4.1
267.06638	45.5
268.07352	1.9
269.04712	0.7
271.09772	0.5
275.03558	0.6
276.04227	0.9
276.07895	0.6
277.05048	7.1
277.08682	2.4
278.05832	4.4
278.09384	2.0
279.06644	29.0
279.09897	1.6
280.07507	2.8
280.10516	0.4
281.08121	3.6
282.08966	19.2
283.09628	1.4
289.04987	2.8
290.05759	0.6
291.06677	1.9
292.07422	2.8
293.04544	5.6
293.08200	5.6
294.05368	11.5
294.08984	10.8
295.06149	12.5
295.09485	1.3
296.10358	0.5
297.07922	0.7
297.11276	8.6
304.07480	3.3
305.04611	5.8
305.08038	1.2
306.05402	2.1
307.06198	6.4
308.07001	8.0
309.07690	16.4
309.11212	0.8
310.08450	4.8
311.05560	2.9
320.07004	2.1
321.07703	5.0
322.08481	9.6
323.05621	31.3
323.09277	13.1
324.10120	2.1
325.07062	0.7
326.04419	0.8
326.08023	13.7
327.08838	0.7
327.12463	0.7
335.09207	2.8
336.10046	1.8
337.07126	4.2
338.07983	31.2
339.08469	0.7
339.12234	0.9
341.10321	55.2
347.05508	0.5
349.07352	0.9
350.08044	1.4
353.10330	100.0
354.10901	1.4
364.09619	2.2
365.06653	4.9
365.10471	1.4
367.12244	0.6
368.08853	0.6
371.11432	18.0
380.09219	3.4
383.11435	6.6
395.11432	21.1
402.09802	0.5
413.12411	0.9
515.15118	0.6
545.16724	4.1
555.80597	0.5
557.16370	0.7
575.17804	4.6
605.91888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.6
63.67112	0.9
71.01381	1.8
73.02946	1.2
78.98142	1.0
85.02970	2.1
96.96040	1.2
101.02452	2.0
109.02951	19.5
113.02470	1.4
125.02463	1.5
133.02957	36.3
135.04539	15.3
137.02460	24.6
153.01962	16.6
161.02458	100.0
179.03532	4.8
183.23140	1.0
186.10864	1.1
195.03004	2.2
223.84471	1.1
371.03799	1.1
420.13104	1.6
438.14139	20.5
464.15799	5.3
480.14941	1.9
600.17340	49.6
618.18323	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	619.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13234	2.4
59.01384	35.3
61.98820	4.1
69.78962	2.7
71.01395	14.7
73.02958	15.3
85.02967	6.7
87.00896	3.9
96.96014	5.4
97.03053	2.8
101.02460	6.3
108.28307	2.7
109.02982	4.7
113.02457	5.8
121.02980	4.5
133.02956	3.8
135.04491	4.0
136.01431	2.6
138.01581	2.7
153.01900	3.6
154.27194	3.0
161.02415	11.9
195.03061	5.6
198.07642	2.9
207.08202	3.2
235.07735	4.5
239.06978	3.5
245.09602	3.4
249.05452	2.8
251.07126	16.4
263.07086	5.2
264.07822	3.4
265.09006	2.7
267.03784	2.8
267.06604	32.6
267.09235	4.7
272.09106	3.0
277.05099	3.4
279.06647	18.9
282.09027	15.3
294.05487	4.2
294.09006	13.3
295.06308	10.6
305.04709	4.2
307.06110	3.5
308.06955	3.0
309.07840	4.9
310.08582	3.1
320.07092	3.8
321.07700	3.3
322.08383	5.9
323.05798	20.1
325.67172	3.2
338.08337	24.3
341.10333	36.5
341.23450	4.4
353.10324	100.0
371.24417	57.4
383.11316	5.5
395.11334	16.5
575.30664	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	618.09
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01392	3.4
61.42951	0.5
61.98830	7.5
63.02381	0.8
65.00327	8.1
68.99834	0.5
71.01382	1.2
82.02962	0.5
83.01401	4.7
93.03462	4.2
96.96023	0.9
101.02446	0.6
107.01395	12.2
109.02930	0.7
114.38940	0.5
117.03448	0.6
117.57954	0.5
119.05027	26.6
120.04534	0.6
122.22224	0.5
125.02438	3.5
133.02969	0.5
145.02965	2.3
148.04044	4.7
149.04823	1.0
150.05623	5.4
150.09256	0.7
151.00385	35.0
151.05901	0.8
154.05132	0.6
159.04509	0.6
161.02451	0.5
161.04767	1.8
163.04056	0.5
164.03545	1.0
171.04495	2.3
173.02429	1.9
173.03673	0.9
173.07191	3.2
174.04318	5.4
175.04826	1.0
175.06415	0.5
183.04501	2.0
186.07973	0.5
187.03976	2.7
187.08731	0.8
189.06702	3.2
190.07462	7.9
191.07855	1.0
193.01387	1.9
211.04005	3.9
213.10316	1.1
214.11108	0.9
215.03491	1.9
215.08321	2.8
215.11955	4.1
227.03511	4.3
231.07718	2.0
232.08549	9.1
233.09026	3.5
239.03561	7.2
241.01306	0.7
241.09851	0.6
243.07971	0.5
244.08516	2.9
255.03047	3.9
257.04599	6.9
257.09268	2.1
259.10910	1.2
268.00232	5.2
268.02820	0.5
269.00626	0.5
269.04654	2.3
281.04672	1.1
282.01910	0.5
283.02512	60.2
284.02939	0.7
286.09766	0.9
294.12555	1.2
295.06149	0.5
297.04227	5.4
299.14029	1.1
300.14462	1.0
308.14026	0.7
309.00433	2.7
309.04053	4.8
313.23663	0.5
323.05719	2.4
325.03592	13.2
336.13623	0.9
336.17377	1.9
337.17603	0.8
341.06750	1.1
349.03574	3.4
365.06683	0.7
367.04633	5.8
369.22903	5.1
370.23242	2.7
380.16248	7.6
381.16660	4.9
382.17642	4.6
383.17914	2.2
391.04749	1.9
394.17819	0.8
403.08316	32.9
409.05542	0.8
429.06277	1.8
435.03616	1.1
436.18927	0.9
437.18942	0.8
454.19897	7.8
455.20230	6.7
555.09430	100.0
556.09851	3.4
573.27380	19.2
574.27692	33.7
617.26324	2.1
618.26868	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	618.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88095	0.3
57.63876	0.3
59.01392	0.6
61.98834	100.0
62.33672	0.3
65.00327	2.1
75.12551	0.3
88.98804	1.3
93.03471	0.4
107.01421	2.7
119.05045	4.5
119.72897	0.3
125.02419	0.5
135.66884	0.3
151.00397	6.6
183.04456	0.4
187.04039	0.5
211.04012	0.6
227.03508	0.6
236.66029	0.3
239.03436	0.6
255.03128	0.4
257.04620	0.5
269.04660	0.5
283.02518	11.6
297.03903	0.7
323.05371	0.4
325.03690	2.4
367.04468	0.6
403.08228	6.3
429.05988	0.4
481.60931	0.4
555.09436	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	618.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.3
61.98836	4.2
64.25879	0.3
65.00327	5.3
70.77738	0.3
71.01401	2.0
83.01418	2.1
84.04565	0.5
85.02955	2.3
93.03465	3.5
96.96044	0.3
107.01405	7.9
117.03493	0.3
119.05030	17.9
120.04546	0.5
122.06124	2.9
123.06527	0.4
125.02431	2.7
143.05040	0.5
145.02977	1.4
145.07741	0.4
147.04558	0.4
148.04086	1.7
149.02539	0.4
149.04790	0.7
150.05612	2.0
151.00380	24.3
152.00694	0.4
161.02432	0.6
161.04839	0.5
164.03590	1.1
169.01331	0.4
171.04504	1.2
172.06490	1.0
173.02399	1.7
173.03717	0.7
173.07196	14.8
173.10812	1.5
174.04347	3.1
174.07507	3.4
175.04865	0.6
175.06317	0.5
183.04520	1.6
185.07304	0.6
186.04388	2.4
186.07990	6.0
187.04045	1.3
187.08685	4.9
188.09146	1.2
189.06740	1.3
190.07480	3.6
191.08034	0.4
193.01404	1.5
198.07912	0.4
199.08754	5.1
200.07341	0.4
200.09297	3.0
202.07484	1.6
203.07854	0.4
204.05409	0.7
211.04013	3.1
213.01874	0.5
213.06883	0.4
213.10355	1.9
214.07489	4.3
214.11174	4.3
215.03575	0.5
215.08334	13.6
215.11882	14.6
216.08684	3.9
216.12231	4.6
223.08784	0.5
227.03548	2.4
231.07733	0.6
232.08530	3.1
233.09015	1.2
237.05498	0.5
238.07405	0.4
239.03589	4.2
239.08109	0.4
239.11876	1.2
241.01389	0.4
241.05261	0.4
241.09775	2.0
242.10226	1.2
244.08684	0.4
245.09300	0.4
246.10104	0.6
253.05045	0.4
255.02998	2.9
257.04660	3.2
257.09314	0.5
258.09985	3.0
259.10861	9.0
260.11240	3.6
266.09372	0.4
267.07629	1.2
268.00095	2.9
268.08301	0.4
269.04608	2.0
281.04666	0.5
282.10040	2.0
283.02512	38.6
283.10553	1.3
284.02893	0.5
286.09659	0.5
290.09091	7.5
291.09415	2.4
294.12564	5.7
294.15857	0.6
295.13013	2.1
297.04037	4.0
299.14133	0.4
301.03555	0.5
307.13458	0.4
308.13998	3.6
309.00491	1.4
309.04123	2.9
309.11209	0.5
309.14432	1.2
310.11826	0.5
318.12308	0.4
320.14044	1.9
321.04166	0.6
321.14655	2.0
322.15143	1.2
323.05655	1.9
325.03583	7.9
336.13535	4.2
336.17279	5.6
337.13806	2.2
337.17621	3.0
349.03558	1.2
362.15097	1.5
363.15378	0.5
365.06708	0.6
367.04617	2.7
369.22739	0.7
380.16196	100.0
381.16522	83.4
382.17844	1.2
383.18100	0.5
391.04980	0.7
403.08310	20.5
404.16098	0.4
409.05798	1.4
429.06137	1.8
431.17368	2.9
432.16519	4.7
433.16061	3.3
435.03586	1.9
436.18951	0.5
454.19913	2.7
455.20175	3.1
517.21057	2.2
518.21429	4.6
533.21661	0.5
555.09399	61.1
556.09418	2.2
573.27344	1.3
574.27289	3.2
617.26129	6.4
618.26569	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	617.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62415	4.2
59.89430	4.5
63.36389	4.3
72.22747	5.6
75.73112	5.1
78.84035	4.9
85.87590	5.4
92.10813	31.8
102.42670	5.3
111.08157	13.3
120.66234	5.3
121.40059	5.4
123.04610	5.3
138.43323	5.5
153.09232	5.9
171.10223	19.5
185.11896	8.6
197.11859	45.3
245.19199	21.6
289.18185	89.6
307.19174	100.0
309.20813	30.1
325.20175	32.9
373.94534	7.2
469.65826	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	618.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90755	0.7
59.01384	1.3
61.98840	29.2
63.02400	0.6
65.00329	9.1
73.88326	0.6
83.01405	2.9
93.03487	4.7
107.01395	11.8
119.05032	24.7
125.02455	3.2
145.03018	0.7
151.00389	40.5
161.02388	0.7
171.04648	2.1
173.02405	1.3
183.04526	1.1
187.04016	3.5
193.01395	0.8
211.04030	2.9
215.03596	1.0
227.03447	3.4
227.86853	0.7
239.03514	5.5
255.02911	1.3
256.03796	0.7
257.04581	7.0
268.00159	5.4
269.04440	1.1
281.00790	1.0
283.02521	59.0
289.18164	1.0
297.04144	5.7
309.00449	2.4
309.04089	4.4
323.05621	3.7
325.03662	10.8
341.06778	0.9
349.03513	1.2
365.06711	1.4
367.04709	3.7
380.16220	1.5
391.04630	1.0
403.08249	36.7
409.05560	1.3
429.06223	3.1
435.03537	2.9
555.09430	100.0
556.09509	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	617.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35181	1.0
57.03476	1.1
59.01361	1.1
64.16428	1.1
71.01376	1.5
78.95910	5.1
83.05033	5.0
84.02196	1.1
109.06562	1.5
111.08176	1.7
125.09727	2.0
126.56490	1.3
127.07653	5.7
127.11238	1.7
151.11336	1.7
152.99580	6.8
153.12848	7.4
155.10803	2.3
163.11212	2.0
165.12819	1.5
167.10806	2.0
179.14435	2.1
181.12395	5.1
185.11819	5.6
197.04114	1.1
197.11789	9.3
199.13498	1.1
207.13943	2.5
209.11876	34.4
227.12758	1.6
245.19051	1.7
247.20723	2.2
255.23302	2.0
263.20139	1.9
273.18744	1.4
289.18109	5.7
291.19708	33.5
307.19183	36.4
309.20770	100.0
325.20212	20.2
463.49414	1.3
581.38477	5.4
599.39410	4.8
617.40686	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	617.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91698	5.3
82.10838	5.5
82.72541	5.7
86.13705	6.6
120.61578	5.2
123.08143	5.8
125.09753	6.8
127.11240	5.9
128.94469	6.2
153.09192	9.0
156.66942	5.0
171.10217	25.5
181.12306	7.1
191.14490	11.0
196.24835	5.7
207.10260	10.3
209.11905	10.6
225.11398	6.6
245.19145	29.5
247.20700	11.8
289.18085	100.0
291.19742	72.9
307.19186	97.6
309.13379	5.8
309.20822	89.0
324.04367	6.5
325.20227	32.5
581.38440	6.2
599.39478	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	617.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53906	0.7
54.82152	1.0
59.01384	4.1
59.23771	0.7
60.19027	0.7
65.99868	0.8
68.07845	0.8
71.01392	1.2
73.02940	0.8
82.02981	8.5
92.10739	1.9
108.04574	1.1
112.04052	1.9
119.05043	2.1
120.04530	4.3
122.06125	1.1
125.13513	0.8
129.05637	3.2
135.03247	1.4
136.07718	4.7
138.05548	1.3
141.42183	0.9
147.03241	3.6
148.04062	37.6
149.04808	13.7
150.05612	36.7
150.09218	7.8
154.05173	1.9
160.04016	4.0
161.04829	11.5
162.05632	4.2
163.02765	5.6
163.95656	0.9
164.03551	10.5
173.03549	14.4
173.04858	2.2
174.04338	50.4
174.05531	2.1
175.02768	1.5
175.05115	10.8
175.06421	5.8
176.05890	1.5
177.06795	1.1
186.05635	2.1
187.06444	6.4
188.07260	2.0
189.06717	22.4
190.07486	52.3
191.08258	4.4
199.03958	0.9
199.06088	1.1
200.07219	4.9
201.07982	7.5
202.07237	7.2
202.09019	2.5
203.08205	3.5
213.06772	1.1
213.10289	3.2
214.11157	5.3
215.08218	1.7
216.06737	1.4
217.07480	3.6
217.09836	3.5
218.10583	1.5
228.06693	2.0
231.07733	20.5
232.08539	65.4
233.07317	1.0
233.09268	8.8
234.07535	1.1
241.10054	1.2
242.08188	5.1
242.10712	3.7
243.07622	4.2
243.09381	1.4
243.11342	1.2
244.08293	19.6
245.06982	1.1
245.09265	6.7
246.07700	1.7
262.09625	5.6
268.08508	3.3
285.08832	4.7
286.09747	14.1
287.10513	1.2
289.09500	5.1
299.14041	14.2
303.09821	1.7
304.10703	3.5
324.13388	7.0
325.12112	1.4
331.73868	1.0
337.10706	1.5
340.16660	1.6
369.22803	10.3
380.16315	5.0
382.17758	36.8
394.17639	8.1
395.15958	1.3
412.18683	4.8
418.18069	1.4
436.18826	20.7
437.16959	6.2
449.16000	1.9
454.19931	100.0
455.20105	1.2
463.10361	1.5
467.17209	9.4
521.16968	1.0
545.23981	5.6
573.29199	5.1
599.25171	6.2
604.88403	1.0
617.26288	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	617.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01432	0.2
71.01415	0.4
84.04572	0.3
85.02965	1.4
106.89486	0.2
122.06114	1.6
145.07733	0.2
148.04034	0.2
150.05612	0.2
159.05646	0.4
160.06445	0.3
161.07133	0.2
171.05640	0.4
172.06479	1.0
173.07208	8.1
173.08601	0.3
173.10846	1.0
174.04446	0.4
185.07285	0.8
186.04318	1.3
186.07964	4.5
187.08783	2.6
190.07451	0.2
197.07172	0.2
198.08006	0.3
199.08781	3.8
200.09578	1.0
201.06714	0.3
202.07506	0.3
204.05344	0.3
213.06743	0.4
213.10381	0.7
214.07558	2.6
214.11108	2.6
215.08327	9.4
215.11870	9.7
218.06963	0.3
232.08560	0.4
232.54674	0.2
238.07462	0.2
239.08212	0.2
239.12126	0.3
241.09935	1.4
246.10191	0.4
248.48439	0.2
257.09537	0.3
258.10056	3.8
259.08386	0.4
259.10901	5.9
267.07785	0.4
268.00397	0.2
282.10178	1.5
290.09109	4.2
294.12561	3.8
294.15820	0.3
306.12610	0.3
307.13501	0.2
308.14063	1.9
309.11267	0.9
311.10428	0.3
320.14038	1.5
321.14737	1.5
332.13977	0.2
336.13541	3.3
336.17255	4.3
341.10193	0.2
342.08508	0.3
362.15051	1.7
380.16202	100.0
381.16696	1.8
386.88943	0.2
407.94135	0.2
431.17380	2.9
432.15677	3.3
454.20001	0.8
489.17996	0.3
504.22006	0.3
517.21021	4.0
532.20776	0.4
555.09076	0.3
573.27417	0.4
617.16156	0.4
617.26202	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	617.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81073	0.2
52.93591	0.3
59.01379	3.1
60.13729	0.3
63.70658	0.3
71.01388	1.6
76.57357	0.3
83.38821	0.3
85.02977	0.5
88.73634	0.3
89.02937	0.3
96.96018	0.7
109.77112	0.4
119.04991	0.3
121.05328	2.1
124.07668	1.8
125.02468	0.6
133.02895	0.3
134.06134	4.4
135.03316	0.3
136.07680	25.2
138.09273	2.1
145.07643	0.7
150.05626	0.4
157.07758	1.6
159.02943	0.3
161.02415	0.6
162.05614	7.1
172.30258	0.4
173.10834	7.2
184.10129	0.5
185.10837	6.9
197.07208	0.5
197.10847	16.1
198.07930	1.4
198.11644	1.4
199.08795	17.1
211.08859	0.5
211.12422	0.6
212.13037	0.7
213.13994	25.9
215.08296	0.8
221.10982	0.8
223.08800	1.5
225.10349	2.0
237.10274	3.0
237.13948	0.4
238.11140	2.2
239.11916	100.0
240.12325	0.6
252.11409	1.9
257.12982	0.6
265.12238	0.7
265.17117	1.4
268.08545	0.4
269.09344	0.5
278.12946	0.6
278.17874	0.3
279.13785	2.3
290.13095	0.5
291.13892	2.1
292.08423	0.4
292.14645	1.3
293.15469	1.3
293.20352	1.6
304.15424	0.5
306.16180	0.8
307.16953	1.4
308.17731	25.9
318.12646	3.5
318.16174	0.6
319.13324	0.4
319.17996	2.9
320.17703	5.8
332.14099	2.2
333.14862	6.2
334.19220	1.4
336.20871	9.1
344.17725	1.6
345.15311	0.7
347.16547	2.1
360.17276	6.2
362.18811	67.9
363.16360	1.0
367.97009	0.4
369.23032	2.4
376.16727	1.6
378.18350	0.8
380.19855	37.9
381.20007	0.5
388.16629	0.6
392.19806	4.0
406.12408	0.7
406.17789	18.7
408.19565	0.4
410.20969	6.6
424.18826	37.5
432.15433	0.8
436.18860	4.2
450.16678	0.6
454.19809	5.2
530.52057	0.4
543.26251	9.1
573.27527	2.9
587.25232	19.0
617.26343	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	616.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82284	0.7
61.98836	100.0
71.21465	0.5
98.90521	0.6
109.46558	0.6
140.84076	0.8
179.10838	0.9
197.11850	4.1
225.11156	0.7
255.23352	6.4
256.23746	0.9
299.35339	0.7
348.80386	0.6
354.29770	0.6
553.37366	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	617.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54575	0.7
54.49678	0.9
55.01884	1.1
57.03469	1.6
58.62568	0.8
59.01394	9.2
67.01934	1.6
69.03474	1.1
71.01385	12.9
72.99317	4.8
73.02967	5.2
75.00897	1.5
76.23292	0.9
83.01391	15.3
85.02977	6.3
87.00872	21.8
87.01357	1.1
88.98824	4.3
89.02478	1.4
93.03493	1.1
95.01402	1.5
96.96030	1.4
97.02953	1.8
98.68456	1.0
99.00895	3.6
100.01675	2.2
108.02180	1.1
109.02959	20.7
111.00886	24.6
113.02478	6.3
113.99617	5.5
115.00372	45.2
115.01131	1.7
121.02966	1.2
122.03727	7.7
122.06192	1.0
123.04510	5.2
124.01620	1.0
125.02444	5.9
127.00497	1.0
128.01169	2.2
129.01852	1.2
133.02925	6.9
134.03688	1.4
135.04520	17.0
137.02473	5.7
139.00389	25.8
139.04027	4.2
147.04538	2.3
149.02441	13.4
149.06059	5.6
150.03270	4.3
150.05573	1.5
151.04007	1.4
152.07237	0.9
155.03601	1.3
156.00659	16.6
157.01425	19.7
159.04556	1.4
161.02446	14.9
161.06068	1.6
162.03275	1.2
163.04080	7.7
165.05536	1.4
173.02420	2.2
174.01701	15.8
174.03258	5.8
175.02518	33.4
175.04048	5.2
177.01913	10.6
177.05598	4.3
178.02806	1.9
179.03508	2.1
187.04019	5.8
188.04889	3.3
189.01968	5.0
189.05560	1.7
190.02716	9.2
191.03506	16.1
191.05333	2.0
193.05080	46.2
194.04770	1.6
195.06609	1.5
201.01978	7.2
202.02786	1.0
203.03490	7.4
203.07278	1.1
205.01419	8.5
205.05115	4.2
206.02271	10.8
207.06648	21.6
213.05515	1.5
215.03484	4.4
216.04318	3.6
218.02226	1.4
219.03075	1.8
219.06644	3.7
222.05431	1.1
223.06056	3.9
229.05128	1.2
231.02992	1.9
231.06635	6.0
232.03792	1.2
233.04585	20.7
234.05333	26.9
247.06166	3.8
251.05627	4.8
257.04410	1.2
259.02646	1.6
261.03809	1.1
263.05594	3.6
275.05545	7.8
277.07248	1.4
279.05081	5.9
279.08633	1.9
289.07217	9.8
291.05084	5.0
295.53305	1.0
307.08264	100.0
309.06186	4.1
309.69052	1.0
314.03616	1.0
351.07376	2.0
356.09927	2.1
455.12067	1.2
469.42798	1.0
483.11502	1.1
493.13550	1.7
511.14496	10.3
513.12567	13.5
537.12445	4.0
555.13898	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	615.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78633	1.8
52.47189	2.0
59.01381	39.7
61.98808	2.7
71.01408	5.6
72.83523	2.3
78.95910	4.7
89.02461	13.0
101.02451	14.5
113.09786	3.7
121.10242	3.5
137.02623	2.3
152.99512	3.4
161.04591	3.0
175.11234	2.3
175.14932	5.9
181.66736	2.8
191.74765	2.6
192.98369	2.9
219.13950	14.0
253.09319	41.8
257.22781	12.0
274.77121	3.1
301.21732	41.0
319.22806	100.0
414.53452	2.6
427.40482	2.7
560.47974	2.6
629.51410	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	615.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93056	1.0
57.03460	3.0
59.01386	40.0
60.36689	1.2
61.98825	3.3
62.03435	1.1
67.63253	1.2
71.01381	9.6
73.02943	1.4
78.82580	1.2
78.95907	1.9
83.05060	1.8
83.41999	1.2
85.02950	2.0
89.02454	8.7
101.02457	13.2
113.02453	7.3
113.09715	7.1
119.03531	1.7
121.10229	2.7
126.11402	1.4
152.99614	1.6
155.99289	1.4
161.04576	2.6
175.14963	10.9
201.12686	1.6
203.18036	2.5
215.24594	1.4
219.13916	24.3
220.18999	1.4
253.09320	45.5
257.22794	17.9
301.21786	34.4
319.22830	100.0
580.86670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
78.71045	0.4
88.42711	0.4
92.10785	0.5
94.68545	0.4
102.88197	0.5
121.98666	0.5
178.92894	0.6
180.14182	0.5
255.23323	100.0
256.23816	0.7
316.29123	0.4
443.49023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14132	0.3
58.75195	0.4
59.01385	0.7
68.28889	0.5
71.01381	14.2
76.01765	0.4
87.00896	0.5
93.03460	2.1
94.14813	0.4
109.02930	0.7
113.02496	0.4
115.00387	5.0
119.05022	57.8
126.90383	0.5
127.77298	0.4
133.02946	0.6
135.04527	7.0
161.02452	4.6
163.04016	100.0
175.02559	0.7
179.03500	2.6
191.05699	0.5
244.95033	0.5
279.05130	5.6
335.07785	2.9
476.69513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.4
57.03462	6.7
58.00598	1.2
59.01383	81.2
60.50579	1.3
63.45704	1.4
65.03960	2.0
68.99818	3.0
69.03461	3.7
71.01379	29.9
71.05035	6.0
72.99310	3.0
73.02946	2.6
81.03460	20.9
83.01394	10.1
83.05040	6.4
84.02177	2.5
85.02946	84.3
87.00890	6.2
89.02438	19.1
92.10736	2.3
95.01408	1.4
95.05074	1.3
96.96007	11.6
97.02952	5.9
98.63921	1.4
99.00880	5.8
99.04508	26.4
101.02435	32.7
109.02942	5.3
111.00880	45.6
111.04481	1.4
113.02451	18.6
119.03494	9.8
121.03017	1.8
127.04019	23.7
129.01942	86.7
139.03990	2.5
143.03589	2.3
161.04475	2.1
171.02939	3.3
175.02534	2.4
179.05661	5.9
210.43503	1.5
233.43483	1.5
235.08508	1.5
247.32359	1.3
291.07260	100.0
299.02777	1.8
323.13406	1.7
459.12631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53167	0.5
50.93435	0.6
53.61631	0.5
54.21106	0.5
83.84930	0.6
86.81924	0.6
90.10082	0.6
116.92912	0.9
130.51311	0.6
131.60983	0.6
138.90367	0.7
209.75061	0.7
221.11288	0.6
224.69678	0.6
255.23326	100.0
256.23840	0.8
265.55264	0.6
354.79834	0.8
464.95767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52116	3.5
51.80753	3.1
53.12283	3.9
54.21850	3.4
57.03460	9.9
58.42605	3.5
59.01375	35.7
62.49298	3.6
64.24280	3.3
64.34459	4.5
69.47513	4.4
71.01385	9.4
78.95896	5.8
92.10125	16.0
101.02507	5.1
113.09739	41.6
131.49811	4.8
139.11272	17.7
152.99608	4.1
165.12747	4.3
253.09300	34.7
271.80249	5.0
273.22205	23.9
317.21271	100.0
332.06189	4.5
344.91867	5.3
430.31250	4.5
543.62170	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	613.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99787	1.7
55.36498	1.5
57.03467	8.9
57.12976	1.6
59.01391	30.4
63.52187	1.5
71.01395	7.1
78.95937	2.4
79.95011	1.6
89.02466	8.2
93.07080	1.8
101.02456	9.1
113.02435	2.0
113.09728	63.5
121.10229	1.9
139.11313	20.7
165.12868	9.5
219.14067	2.7
253.09329	28.9
258.25861	1.8
273.22202	16.5
299.20135	2.8
317.21246	100.0
318.21603	3.3
320.94556	1.7
413.80554	2.0
445.20596	2.1
474.59131	1.9
604.98407	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19258	2.3
58.54615	2.5
59.01384	46.9
71.01393	12.5
78.95902	3.3
87.00879	3.8
89.02454	14.5
92.10029	5.8
92.94791	3.0
101.02432	19.3
113.02438	6.3
121.10217	4.0
132.44412	2.7
147.11768	3.4
157.79076	2.9
161.04617	4.8
175.14880	5.0
175.95476	2.6
197.18039	2.8
219.13954	28.0
253.09286	51.0
255.21225	16.6
299.20117	26.4
317.17560	3.7
317.21252	100.0
317.24716	5.7
353.84851	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	613.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38504	0.5
55.01878	1.1
57.03467	1.4
58.00618	1.5
59.01392	68.4
65.67625	0.6
66.95783	0.5
71.01387	24.3
72.79346	0.6
72.99306	1.1
73.02946	17.4
83.01395	7.3
85.02952	11.2
87.00875	2.8
89.02439	11.0
95.01386	3.4
95.36349	0.6
96.96019	2.6
99.00880	3.1
101.02440	22.9
103.38570	0.6
108.37968	0.7
109.02979	5.1
113.02441	9.4
117.91723	0.6
119.03499	2.9
125.02480	0.8
131.03499	0.7
133.02959	3.5
135.04535	9.5
135.08131	0.9
145.02988	3.2
152.01120	0.8
153.01949	7.5
161.02457	9.6
161.04556	3.8
161.65390	0.7
167.96355	0.7
175.04042	1.0
179.03467	2.8
179.05630	0.7
179.07106	3.3
191.05672	1.0
195.03058	4.8
203.03427	0.9
255.05202	0.9
257.15524	0.9
273.18863	0.8
275.19989	0.7
303.19669	1.4
323.07855	0.8
347.18658	7.9
365.19672	3.7
477.10281	6.5
509.17044	1.1
509.24026	15.7
527.25281	8.4
569.26117	100.0
570.26666	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	613.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26921	1.4
57.69340	2.0
58.42941	1.5
59.01390	35.2
61.98844	2.8
71.01395	15.0
88.86383	1.9
89.02462	11.6
101.02446	11.0
107.08702	2.2
107.63721	1.8
111.08144	2.1
113.02454	3.9
121.06619	3.1
121.10236	3.0
161.04614	2.9
175.14978	9.2
203.14572	2.4
211.52176	2.1
219.14009	21.0
253.09291	50.6
255.21207	11.5
273.22281	3.0
299.20215	28.0
317.21268	100.0
436.44757	2.1
620.19196	2.1
644.11090	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00920	0.5
57.03476	2.3
59.01401	2.2
62.32976	0.5
65.03987	1.0
67.01901	0.7
69.03449	0.6
71.01399	1.2
72.99332	0.6
73.09875	0.5
75.00865	5.0
81.03463	0.8
83.01380	4.4
83.05071	0.8
85.02977	3.0
87.00451	0.5
87.00878	4.2
88.98799	1.1
93.03456	8.3
101.02457	1.2
104.29981	0.6
107.05028	10.1
107.05697	0.5
109.02953	13.6
113.02449	3.1
117.03481	1.1
117.79491	0.6
118.82677	0.5
119.05017	23.3
121.02975	2.1
123.04523	1.2
124.01633	0.9
125.02428	10.8
127.00385	0.7
129.01962	3.3
133.02963	2.9
134.03761	6.6
135.04526	3.5
137.02443	49.6
145.03020	1.2
145.06728	0.7
147.04547	0.9
149.02457	4.1
151.04012	100.0
153.01950	3.7
159.03017	0.7
159.04454	1.2
161.02423	3.0
163.04005	3.7
164.01149	12.2
165.01897	3.9
169.06572	1.2
171.04535	1.0
173.06081	2.4
177.01936	22.5
177.04059	2.4
178.02605	0.8
179.03499	0.7
181.06540	0.8
185.06094	0.7
195.03287	0.9
195.05110	8.3
205.22133	0.5
211.07736	3.1
213.05579	0.6
215.07315	0.7
223.07578	1.1
227.06993	0.7
229.04861	0.8
243.06781	0.5
253.05078	1.2
253.08719	0.8
255.06720	12.4
257.08212	19.0
265.05176	2.7
267.06671	6.1
271.06085	4.1
279.03146	0.7
279.06693	0.7
281.04529	1.4
284.07062	3.9
284.53760	0.6
285.07651	9.4
297.07538	0.6
373.10834	3.8
377.09818	0.7
391.11938	39.5
392.12204	0.8
392.43839	0.6
435.10889	39.6
435.87463	0.6
552.07092	0.6
613.15625	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	611.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	1.0
59.01381	24.6
59.01650	1.5
71.01385	6.5
71.09454	1.0
78.95898	1.7
80.02693	1.6
84.88400	1.1
85.02973	1.5
89.02467	6.8
95.05043	2.3
101.02449	6.7
103.49167	1.1
107.72191	1.3
113.02444	2.5
113.96358	1.2
132.83673	1.3
144.59888	1.3
149.96912	1.2
163.11293	38.3
165.12848	6.9
175.03970	1.2
184.33786	1.3
189.12817	9.8
217.16066	14.5
253.09296	18.1
271.20703	25.5
297.18631	2.2
315.19736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61376	81.7
61.82175	68.6
206.64818	77.6
449.18777	80.0
464.32999	88.7
488.57135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82508	0.4
59.01382	4.0
71.01382	4.1
73.02965	0.7
75.25082	0.4
76.33662	0.4
81.03476	0.6
82.11572	0.4
83.01408	0.6
85.02942	1.7
87.00881	0.9
88.76308	0.5
91.01904	0.6
95.01395	0.6
97.02946	0.6
99.50196	0.5
101.02460	1.8
108.02176	1.1
109.02955	58.4
110.03276	0.5
111.00863	0.9
113.02459	2.4
117.03460	0.6
123.00883	0.8
123.04483	1.0
124.01670	1.8
125.02447	1.0
132.02176	0.9
133.02960	38.7
134.03766	4.0
135.04526	73.9
137.02444	2.8
143.03526	0.5
147.04529	1.7
149.06078	2.1
151.04030	1.9
152.01157	7.5
153.01947	79.1
161.02455	100.0
162.02788	1.1
163.03932	0.9
165.01929	0.8
175.04047	4.1
177.05583	2.8
179.03511	36.5
191.03584	0.5
191.05617	0.7
195.03012	22.4
201.05591	0.5
203.03508	10.0
217.04874	0.5
221.04576	0.9
225.04065	2.1
237.04085	0.9
245.04446	0.9
255.05138	10.0
279.05124	4.2
297.06198	7.6
323.07788	8.4
327.48495	0.5
417.08478	3.0
451.08582	0.8
459.09402	30.0
477.10477	10.4
569.16504	0.5
569.25616	0.8
613.12067	64.3
614.12585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41365	0.5
58.94510	0.6
59.01384	20.8
64.33974	0.5
67.68790	0.5
69.12675	0.6
71.01379	5.8
78.95914	0.6
80.02673	1.3
85.02953	0.8
89.02443	6.6
91.11026	0.5
92.78516	0.6
93.44226	0.5
95.05027	2.7
101.02432	5.6
106.04268	0.7
109.06582	0.8
113.02458	3.4
119.03502	1.1
120.05868	0.6
123.08221	0.6
130.62480	0.5
135.01776	0.6
145.06569	1.2
147.08147	2.3
161.04585	0.9
161.09711	0.8
163.11299	37.0
165.12846	6.2
189.12888	8.3
191.14435	2.0
201.09402	0.6
203.14453	0.9
214.76669	0.7
217.16013	19.0
230.16670	0.6
243.17572	1.4
253.09348	19.8
271.20700	21.7
297.18527	4.5
304.38110	0.6
315.19720	100.0
316.19983	1.1
464.71765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71977	0.6
59.01388	6.9
62.65992	0.5
67.01888	0.9
69.08591	0.6
71.01386	3.7
73.02934	5.4
80.95311	0.6
83.01411	0.9
91.01886	2.9
93.03453	3.5
95.01382	0.7
97.02951	0.6
101.02422	3.8
107.01379	0.9
108.02175	20.5
109.02935	1.0
111.00868	0.9
113.02494	0.9
121.02943	12.6
122.03741	10.1
123.00877	1.4
123.03723	1.0
123.04530	16.8
125.02422	1.3
133.02936	0.8
136.01717	0.7
149.02446	33.1
150.03230	97.3
151.00356	6.6
151.03865	1.4
152.01161	43.9
160.78020	0.5
161.02408	0.6
164.04807	6.8
164.14146	0.6
164.32959	0.6
164.57901	0.6
165.05574	100.0
166.02711	5.1
167.03499	70.2
180.04265	7.8
181.05069	1.5
194.02164	3.6
195.06651	37.2
209.04568	10.1
212.04842	0.8
224.04727	0.8
227.06966	0.7
256.07416	13.1
271.09790	2.6
276.35300	0.6
300.06543	0.9
301.10812	0.9
315.08777	31.7
315.12479	1.1
320.70093	0.7
357.09802	2.4
363.10901	42.2
363.15427	1.4
371.09818	5.1
567.17316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54050	46.7
51.54412	47.4
59.01393	76.1
61.98829	100.0
80.96535	63.2
108.35040	56.0
110.54925	62.7
112.67348	58.3
319.60217	63.6
353.35568	69.2
448.13171	72.4
490.33759	75.3
508.84430	77.1
546.31360	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35028	0.3
59.01390	7.5
70.61169	0.3
72.99306	4.2
74.57712	0.3
84.99313	0.4
87.00879	13.2
95.42719	0.4
96.95997	0.9
103.00374	4.2
112.98825	6.5
119.05028	75.2
120.05354	0.4
125.02446	0.7
130.99892	1.4
133.02965	0.8
135.04520	0.6
149.00929	54.4
162.68149	0.4
163.04021	100.0
169.01414	0.7
195.05116	0.5
232.37202	0.4
295.04630	19.9
413.74182	0.4
435.66800	0.4
595.38593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
65.60333	0.2
71.01387	1.0
73.72739	0.2
78.95919	1.0
79.95743	2.3
83.01444	0.2
85.02966	1.1
87.00887	1.0
88.98798	1.0
89.02446	0.2
93.03467	0.3
94.00084	0.2
96.96010	100.0
99.27747	0.2
101.02447	0.3
107.01331	0.2
108.60015	0.2
109.02932	0.3
109.54038	0.2
113.02482	2.2
115.19529	0.2
119.05026	1.4
123.04485	0.3
126.05821	0.2
129.56049	0.2
133.02950	0.5
135.04536	0.4
145.02940	0.3
155.40512	0.2
157.95522	0.2
161.02367	0.3
163.93376	0.2
177.00224	0.2
178.02635	0.3
187.03990	0.3
241.05045	0.3
269.00970	1.1
283.06180	0.3
295.02664	0.2
297.10925	0.2
360.27841	0.2
376.06262	0.3
389.06622	0.6
393.06049	0.3
449.27872	1.6
513.11981	4.3
573.09552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82165	0.6
59.01389	10.4
71.01387	4.1
77.03976	1.4
78.95917	0.7
81.97038	0.7
85.02968	1.5
89.02443	2.8
92.10110	1.9
101.02454	2.7
106.06635	1.1
113.02425	1.2
118.06640	24.2
123.06953	0.8
134.06151	1.0
135.04491	1.1
136.07697	9.9
147.03229	0.8
148.04054	0.8
150.05614	1.6
160.04056	18.9
161.04843	20.7
162.05618	100.0
164.03502	1.7
165.04349	1.7
175.02711	2.9
176.03542	1.0
192.03026	3.6
193.03818	19.2
194.04555	3.6
212.09610	1.1
226.11145	24.4
227.11943	3.0
241.13490	37.1
242.14000	0.8
243.15031	1.5
269.09384	11.4
271.10928	2.6
283.10880	11.4
284.11710	19.7
285.12506	29.2
286.13354	6.2
287.13895	1.2
299.14017	3.0
324.57568	0.7
327.13614	3.6
328.14697	0.8
386.18869	2.5
390.05844	0.8
404.19873	9.2
430.17642	5.4
447.17883	1.4
448.18842	32.6
449.19244	0.9
490.19891	1.7
610.24158	80.3
611.24426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.5
59.01383	100.0
62.24670	2.4
71.01376	31.7
73.02949	3.8
83.01400	6.6
85.02979	18.9
87.00885	5.7
89.02470	2.9
94.09027	2.8
96.96016	12.7
97.02961	5.9
101.02446	14.6
107.54850	2.9
109.02991	5.2
113.02454	11.5
124.01643	4.4
125.02475	16.1
133.02943	3.7
134.03725	4.4
135.04486	33.0
144.51476	2.5
151.00424	6.9
159.04536	13.8
161.02429	15.0
164.49142	2.7
167.03360	3.2
179.03532	3.2
203.03595	4.2
237.05663	3.1
239.03726	3.1
254.05870	6.2
254.24083	2.9
269.21417	3.2
283.02563	11.9
286.30338	3.4
287.22305	51.5
299.22421	3.1
311.02084	3.5
313.07214	23.9
363.05112	3.7
369.17114	4.3
413.25327	3.7
431.26532	98.8
449.27777	34.6
473.27570	82.9
491.28809	25.8
505.33557	5.8
571.08856	6.9
573.09363	4.4
609.26105	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	609.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.5
59.01383	100.0
62.24670	2.4
71.01376	31.7
73.02949	3.8
83.01400	6.6
85.02979	18.9
87.00885	5.7
89.02470	2.9
94.09027	2.8
96.96016	12.7
97.02961	5.9
101.02446	14.6
107.54850	2.9
109.02991	5.2
113.02454	11.5
124.01643	4.4
125.02475	16.1
133.02943	3.7
134.03725	4.4
135.04486	33.0
144.51476	2.5
151.00424	6.9
159.04536	13.8
161.02429	15.0
164.49142	2.7
167.03360	3.2
179.03532	3.2
203.03595	4.2
237.05663	3.1
239.03726	3.1
254.05870	6.2
254.24083	2.9
269.21417	3.2
283.02563	11.9
286.30338	3.4
287.22305	51.5
299.22421	3.1
311.02084	3.5
313.07214	23.9
363.05112	3.7
369.17114	4.3
413.25327	3.7
431.26532	98.8
449.27777	34.6
473.27570	82.9
491.28809	25.8
505.33557	5.8
571.08856	6.9
573.09363	4.4
609.26105	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	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00405	0.4
55.01886	3.1
57.03461	2.6
57.31853	0.5
59.01384	32.3
60.99322	2.8
68.31271	0.5
69.03468	1.0
71.01379	21.0
72.43777	0.5
72.99302	1.0
73.02942	6.4
83.01394	2.7
85.02954	14.2
87.00890	2.9
88.98796	11.6
89.02443	5.5
93.03451	0.8
95.01369	4.1
97.02988	0.7
99.00901	2.2
101.02448	9.9
108.02221	0.8
109.02956	6.8
111.00880	0.6
112.01669	0.6
113.02457	10.8
119.03499	0.9
121.02944	18.0
122.03733	18.7
123.04488	4.2
124.01656	1.3
134.03766	1.1
135.04523	3.9
136.05275	2.2
137.02452	2.2
147.04529	11.8
148.05302	1.3
149.06084	1.2
150.03194	0.6
153.01796	0.8
154.02710	2.6
159.04492	0.7
160.05276	1.1
160.13985	0.5
161.02477	1.3
161.04926	0.5
161.06128	5.2
162.06909	2.2
164.04750	0.7
165.05568	27.2
166.06311	0.7
168.04228	0.6
169.33055	0.5
173.06068	1.1
174.06871	1.3
175.07588	2.4
177.05626	0.7
178.06349	1.2
179.07117	7.8
181.08707	0.8
190.06339	0.7
191.07129	3.6
196.98256	0.6
223.09848	0.7
255.75975	0.6
298.12219	4.5
313.10956	0.8
313.14474	9.0
315.12503	3.0
316.13004	1.1
328.13208	4.8
329.14072	1.2
331.15372	2.0
343.15527	10.4
346.14233	7.9
347.14951	2.2
361.16608	65.2
362.17001	0.9
419.62180	0.6
430.11929	0.6
445.18414	0.8
447.08124	0.6
457.83493	0.6
475.19531	0.7
491.12860	0.6
505.20883	100.0
506.21405	1.1
507.29922	0.6
523.21948	41.2
525.37701	0.6
565.23071	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	609.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27710	0.2
59.01387	1.6
62.13691	0.2
68.69527	0.2
71.01402	0.4
73.02970	0.3
73.33315	0.2
76.34029	0.2
85.02950	0.2
92.10724	0.3
101.02441	0.7
109.02973	0.5
110.00108	0.3
111.00896	1.3
113.02461	0.4
121.02938	0.4
122.57472	0.2
123.00883	0.9
125.02430	1.1
132.02170	0.2
133.02975	1.2
137.02475	1.1
138.03215	0.3
139.00383	5.9
139.04034	0.3
140.01166	15.3
147.00899	11.5
148.01689	1.8
149.02411	0.4
149.99605	1.0
150.51843	0.2
151.00327	0.3
153.01947	3.5
154.02727	0.3
155.03505	3.1
160.01649	2.7
161.02452	2.7
161.04517	0.2
165.01929	1.2
171.04427	0.3
175.00372	100.0
176.01122	1.4
183.04530	0.5
185.02423	0.4
185.24504	0.2
190.02737	26.8
191.03477	1.2
192.04338	0.2
199.04042	0.8
205.05035	0.4
207.02963	0.8
211.03970	0.3
227.03528	4.8
229.01405	0.3
231.03014	1.4
243.02953	1.3
254.02075	0.3
255.03020	5.4
257.04691	0.3
269.04623	0.3
270.05286	1.1
271.02542	3.3
282.01675	0.4
285.04092	0.4
286.04846	1.9
297.04007	0.3
299.01981	1.4
314.04358	6.1
329.06726	51.4
330.07285	0.3
361.09396	2.1
531.15277	0.3
533.13068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98238	3.6
51.04856	3.4
59.49337	3.5
61.98827	61.1
63.34377	3.4
65.00342	8.4
66.67419	4.3
74.48071	4.5
78.30278	4.3
81.83330	3.8
83.13836	3.7
93.03458	9.5
95.76762	3.9
105.63148	4.1
119.05010	72.9
136.17752	4.7
143.05037	9.3
145.02977	9.1
155.04964	5.1
167.04936	4.4
177.02164	4.7
187.04019	9.5
200.04761	7.8
209.06171	8.1
211.04066	7.4
225.05536	6.7
227.03577	5.9
237.05621	9.8
253.04987	4.9
254.05870	18.6
255.06650	10.3
256.03760	18.6
269.00827	5.6
277.04901	7.9
279.06693	28.9
281.04364	14.3
295.06168	5.8
323.05457	4.6
346.88327	4.7
389.06708	17.2
391.05157	5.0
425.10336	4.5
429.70871	5.8
467.11642	6.1
495.37741	4.9
511.10504	67.8
512.11163	100.0
609.17627	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87118	0.2
54.18515	0.2
59.01369	0.4
61.64352	0.2
65.00340	0.2
68.99831	0.2
92.65350	0.2
95.01373	0.3
106.00634	0.4
107.98903	0.2
109.02937	0.3
110.00098	1.0
111.00876	0.3
121.02944	0.9
122.00100	1.3
123.00870	5.7
125.02440	1.4
132.02206	1.6
133.02928	1.3
137.02463	1.9
137.99603	0.3
138.03233	1.1
139.00368	3.6
139.03993	0.5
140.01155	4.3
147.00896	3.3
148.01668	18.5
149.02458	2.1
149.99591	7.4
151.00371	1.1
151.47020	0.3
153.01939	9.9
155.03491	2.3
155.04686	0.2
160.01669	6.1
161.02441	8.6
161.03732	0.4
163.03937	0.3
165.01930	4.2
166.02715	0.4
171.04541	1.9
175.00366	11.8
176.01146	0.3
183.04478	1.4
187.04088	0.9
190.02750	1.4
193.01460	1.9
198.03276	0.4
199.04024	3.0
203.03525	1.2
207.03038	0.4
211.04005	1.4
213.05553	0.5
215.03488	2.4
226.02774	1.3
227.03528	13.9
229.01338	0.5
230.05904	1.3
231.02953	2.1
238.02870	0.3
241.04987	0.3
242.05983	0.3
243.03035	4.5
248.43721	0.2
254.02165	0.6
255.03014	12.0
257.04514	1.3
258.05380	2.4
269.04593	1.5
270.05322	3.1
271.02515	6.4
283.02679	0.3
285.04193	0.4
286.04828	2.9
297.04208	0.4
299.01978	1.8
313.03607	0.3
314.04373	35.5
315.04572	0.4
328.51633	0.3
329.06711	100.0
330.07132	1.0
361.09332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82561	0.3
55.98051	0.3
57.03456	0.9
59.01394	1.9
68.05058	0.3
71.01395	1.9
80.40878	0.3
85.02962	7.2
87.00882	9.3
91.01890	0.4
96.96013	0.7
101.02470	2.1
109.02959	23.2
113.02449	16.9
121.02867	0.4
123.00854	0.4
124.01746	0.4
125.02424	0.5
132.02153	1.5
133.02957	36.4
134.03763	0.4
135.04510	10.2
137.02417	0.6
149.06104	0.7
151.04045	0.7
152.01187	3.2
153.01945	47.7
161.02451	100.0
162.02846	0.5
175.03946	1.3
177.02014	0.4
177.05614	0.6
179.03488	5.3
180.07916	3.7
195.02977	8.6
203.03488	2.9
212.06778	0.5
217.05011	0.4
225.04039	2.8
245.04422	0.6
255.05145	3.8
279.05246	0.7
293.40512	0.4
297.06158	20.1
300.02734	0.5
313.10828	0.3
323.07794	3.2
331.15445	2.1
343.15509	0.6
361.16595	6.3
417.08389	2.5
459.09247	7.3
477.10394	7.2
496.88907	0.4
547.10986	29.4
573.12604	8.6
591.13647	22.1
592.13623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01392	8.5
71.01382	5.5
73.02946	1.6
74.99107	1.9
79.05579	1.3
79.08110	1.4
85.02974	5.7
87.00905	2.0
91.41707	1.4
109.02946	9.0
111.00890	2.1
113.02459	6.0
121.02967	2.7
129.01915	1.8
133.02962	28.1
134.03741	11.6
135.04518	6.7
137.02371	2.4
139.00380	27.1
149.02461	9.0
150.03223	1.8
153.01924	26.9
154.02724	44.8
161.02432	22.1
162.02821	1.5
168.04225	1.8
169.05086	27.2
174.03159	3.4
175.04100	2.0
179.03497	3.0
195.02977	5.8
195.64568	1.5
200.04755	6.5
201.05595	2.1
201.11322	5.4
203.03485	1.6
210.55307	1.4
213.05618	1.8
216.04335	2.6
217.05005	2.2
226.02769	6.2
227.03426	5.7
228.04315	2.9
241.05054	9.5
243.02956	3.3
243.06503	2.0
244.03818	13.4
254.02264	1.8
255.02794	2.7
255.05168	2.6
259.06165	26.6
269.04617	9.8
271.06165	9.2
272.03229	7.5
274.08551	15.4
287.02606	2.9
287.05627	55.4
289.10812	9.5
297.03827	2.0
302.07999	42.0
314.11502	1.5
315.08597	2.5
317.10339	100.0
327.08679	7.6
329.13788	3.1
330.14301	3.4
331.14346	1.8
361.18842	2.3
385.12692	1.5
387.23965	33.6
419.08453	1.6
427.13992	1.9
477.09970	1.8
479.10382	1.7
505.00809	1.8
521.16687	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	100.0
58.18825	0.9
59.01390	72.4
71.01391	3.7
74.05123	1.0
85.03013	1.6
89.02467	5.0
92.10133	1.1
99.04520	99.4
101.02451	21.3
109.78159	1.0
113.02490	1.6
119.03487	1.9
121.05050	11.9
125.02446	22.0
135.04527	5.5
143.03522	2.3
149.00949	3.9
151.48866	1.0
153.01900	3.6
159.96370	1.0
161.04608	1.3
163.06108	6.0
179.03535	5.3
203.09268	5.1
265.09305	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76768	0.3
63.02426	0.3
64.34303	0.3
65.00349	1.6
66.27020	0.3
71.42983	0.3
72.01893	0.3
72.48158	0.3
75.41024	0.3
79.68423	0.3
83.01411	0.6
87.57717	0.3
107.01398	4.1
108.02218	2.1
109.02953	2.8
114.59562	0.4
121.02951	2.3
124.01637	0.5
128.37462	0.3
135.00929	0.6
135.04575	0.7
148.01712	2.0
149.02501	0.5
151.00389	15.0
153.01984	0.7
159.04599	0.4
161.02496	0.7
163.00377	2.6
164.01169	0.6
169.01328	0.7
178.99869	6.4
183.04620	0.3
185.05937	0.4
187.04024	0.7
192.00697	0.5
198.03157	0.4
199.04048	1.3
211.04034	2.4
215.03549	0.5
215.36234	0.3
216.04198	0.4
226.02724	1.9
227.03535	3.7
229.05145	0.7
243.02992	14.4
245.04558	2.1
254.02332	2.9
255.03030	34.6
256.03488	0.5
271.02524	74.5
272.03113	2.8
273.04022	1.4
283.02542	1.3
299.02048	0.6
300.02802	100.0
301.03564	30.9
343.04572	0.5
404.03525	0.3
609.14746	63.2
610.14795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13377	0.3
59.01385	1.3
59.55905	0.3
68.78693	0.3
74.14610	0.3
82.55708	0.3
85.02945	1.3
90.17812	0.3
108.39651	0.3
109.02959	2.3
111.00905	0.3
113.02452	0.4
121.02945	7.3
122.03732	0.4
123.00875	0.4
131.05028	0.4
133.02977	2.2
135.04553	2.6
136.05295	0.4
143.05045	0.4
145.02989	0.6
146.03767	1.9
147.04507	3.3
149.02489	0.6
150.03217	3.0
153.01942	2.5
158.03729	1.6
159.04532	6.8
160.05301	20.1
161.02466	5.3
161.06061	6.6
163.04008	2.9
164.04791	3.5
171.50378	0.3
173.06076	1.9
175.07640	15.9
175.15150	0.3
177.05550	5.0
177.45634	0.3
178.06354	6.3
179.03503	0.7
179.07143	2.1
192.07939	2.3
193.08705	1.6
195.02985	1.9
203.03490	1.5
212.04817	0.4
215.08293	0.4
225.09236	0.4
239.10829	0.4
240.04268	1.4
241.08675	0.5
243.10077	0.4
248.51929	0.3
251.07138	1.4
253.08667	1.2
254.05833	0.7
255.05159	0.5
255.10228	2.7
266.05753	0.6
267.10254	0.4
269.08243	22.9
269.11255	1.0
270.12573	0.4
271.09769	2.1
281.01508	0.4
281.08267	3.8
283.09818	9.8
295.09860	1.2
296.10577	0.4
297.32523	0.4
298.12204	1.4
299.09305	17.1
310.08591	0.4
310.12024	0.6
311.05664	0.7
311.09314	20.5
313.10840	0.6
314.11642	30.1
325.10721	1.3
326.11636	15.5
329.13986	100.0
330.14337	1.8
341.13983	25.2
359.14963	2.1
449.22549	0.4
477.10556	2.9
494.63940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73718	0.2
53.50549	0.2
59.01392	1.2
61.70422	0.2
63.24913	0.2
66.33965	0.2
71.01397	1.1
73.02944	0.3
75.61699	0.2
76.57599	0.2
85.02956	0.3
93.03475	0.2
108.02200	0.5
109.02942	2.0
113.02435	0.5
121.02955	5.4
122.03743	2.3
123.00889	1.5
123.04507	1.0
124.01698	1.0
125.72842	0.2
133.02951	1.9
135.04501	1.5
136.01685	0.4
136.05344	1.6
137.02431	1.2
137.06137	0.3
138.03246	0.3
139.04039	0.3
143.04996	0.9
145.02956	1.4
146.03693	0.5
147.04529	4.2
149.02457	2.6
149.06055	0.5
150.03239	8.7
151.03957	0.5
152.01163	0.4
153.01955	2.1
153.05577	0.3
158.03745	3.9
159.03183	0.5
159.04517	13.9
160.05304	41.8
161.02451	3.4
161.06088	13.0
162.03181	0.4
163.04021	7.1
164.04802	7.5
168.04309	0.4
173.06088	5.6
174.06833	0.9
175.04080	0.9
175.07646	34.9
176.04825	0.9
176.08026	0.3
177.04051	0.4
177.05579	9.4
178.06355	12.4
178.24973	0.2
179.03542	0.9
191.07114	0.5
192.07939	3.1
193.08727	4.5
195.02968	1.7
203.03539	0.5
255.05098	1.0
287.46021	0.3
299.13083	0.3
314.11600	1.3
329.13983	100.0
330.14169	1.5
341.14047	0.4
359.15140	4.7
366.13907	0.2
378.93808	0.2
456.06894	0.3
473.17978	0.3
477.10474	0.5
489.16550	0.2
589.12463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98120	2.5
57.03474	4.0
58.79110	2.0
59.01390	86.0
59.64408	2.2
71.01388	28.5
73.02966	14.2
75.49657	2.4
78.04383	2.5
83.01414	5.2
85.02972	18.8
87.00919	5.6
89.02459	11.1
92.66282	2.6
95.01382	3.3
101.02461	16.3
109.02973	48.3
111.00930	2.8
113.02465	18.7
117.03504	2.9
119.05002	21.6
121.02943	5.0
123.04543	6.3
125.02480	15.6
133.02956	36.2
134.03661	2.9
135.04506	29.4
145.02954	12.7
149.06061	3.0
151.00398	3.7
151.03986	4.8
152.01143	15.8
153.01941	63.7
161.02458	100.0
167.03450	10.6
172.04568	2.8
175.04015	11.0
177.05638	5.1
179.03526	16.5
195.02985	41.0
203.03528	22.4
218.81496	2.9
255.05225	17.5
269.08221	5.7
278.05139	2.6
278.54950	3.0
281.08246	14.1
283.09726	4.7
287.14127	3.1
299.09174	3.5
314.11642	11.1
315.12744	3.0
326.11545	13.1
327.12466	4.3
329.14087	15.4
341.13956	10.1
355.11920	3.3
380.08261	6.2
385.22458	12.3
400.19049	3.5
417.08344	23.3
451.69867	2.9
458.16016	6.3
470.16003	3.9
473.18103	17.2
476.16916	9.5
477.10376	48.3
485.18076	19.9
491.19321	28.6
503.19489	27.2
503.32455	17.3
521.33582	5.7
531.11108	3.6
533.20374	65.8
545.20483	30.1
575.14264	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	607.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45106	3.0
57.47176	3.3
59.01387	19.9
61.98846	4.4
62.23359	2.7
63.53830	2.9
63.90419	2.7
65.00336	4.7
71.01369	3.8
83.01408	3.4
87.00881	5.4
99.97765	3.5
101.02417	5.2
107.01387	7.5
109.02974	13.0
113.02509	3.9
119.05028	4.5
135.04524	67.1
142.20767	3.6
151.00388	37.6
156.28317	3.7
161.02484	14.5
183.04614	3.7
185.09671	3.1
185.11580	3.2
191.62100	3.7
225.55890	3.4
239.03481	8.2
255.02975	5.7
257.04501	8.3
270.58606	3.5
281.04630	4.5
283.02505	100.0
291.19684	7.4
292.20078	19.3
309.00552	6.9
309.20844	7.1
310.21021	18.5
323.14362	3.9
325.03641	15.5
419.07657	20.1
435.03510	5.2
510.09808	7.4
571.08936	99.2
607.24463	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	607.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48947	0.6
59.01394	3.4
70.50920	0.6
71.01379	2.7
74.98774	0.7
82.99297	0.6
83.01400	0.9
85.02933	1.1
92.10056	1.6
101.02465	2.4
108.02183	3.2
109.02950	46.2
111.00887	2.9
113.02442	0.8
117.70334	0.7
123.00849	1.1
123.04485	1.2
124.01688	0.7
132.02121	2.6
133.02957	37.2
134.03792	1.3
135.03491	1.3
135.04524	36.8
137.02390	1.4
142.14523	0.6
147.04543	2.6
148.05367	0.8
149.06068	5.4
151.04019	1.3
152.01163	16.0
153.01945	77.8
161.02446	100.0
162.02933	0.8
174.03212	0.7
175.04021	12.7
176.43211	0.7
177.05569	6.3
179.03516	17.8
195.02995	63.4
203.03529	36.3
203.04907	1.0
221.04541	3.9
225.04056	6.4
233.04524	0.7
237.04053	1.1
245.04503	3.4
255.05133	30.3
297.06235	2.6
417.08289	23.3
477.10471	80.5
575.14172	35.7
576.14386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65736	0.2
57.03454	1.4
59.01386	5.3
66.63375	0.2
71.01373	2.9
71.05022	0.4
72.18704	0.2
73.02956	1.2
78.95876	0.3
83.05045	0.3
84.62300	0.3
85.02956	0.5
87.00870	0.3
93.07104	2.5
95.75181	0.3
97.06577	0.6
100.46378	0.3
101.02446	1.4
113.02464	0.7
125.02428	0.4
128.37750	0.3
129.01866	0.3
133.02940	0.6
135.04529	1.1
139.25752	0.3
167.14287	0.3
178.02840	0.3
226.07516	0.3
227.16565	8.5
229.18146	0.7
241.18129	0.5
267.23090	0.4
281.25043	0.3
297.24380	2.1
309.24380	0.6
327.25443	12.2
339.25403	6.3
357.26520	100.0
358.26855	1.7
399.27600	2.5
561.32611	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	605.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86284	0.9
57.03447	1.5
58.29247	0.8
59.01383	10.4
59.16092	0.9
66.00032	0.9
71.01378	4.7
73.02957	1.6
74.92146	0.9
76.57465	1.3
81.79482	1.1
81.83235	0.9
82.03005	1.9
83.05011	1.5
85.02970	1.8
88.64444	0.9
88.98759	1.1
89.02437	1.5
96.84859	1.2
96.96018	6.5
101.02438	2.1
104.14636	0.9
109.02966	2.0
111.00886	6.0
113.02442	5.6
119.05028	2.2
120.04539	1.3
121.02937	2.1
124.07670	2.1
125.02459	1.3
129.01909	1.1
129.05617	1.3
133.02913	5.4
135.04527	4.1
136.07697	5.9
137.02451	1.9
138.09264	4.4
139.00420	6.2
146.06078	1.3
147.03310	1.4
148.04039	18.6
149.04846	5.2
150.05600	19.1
153.01938	1.9
157.06598	1.5
160.04030	4.5
161.02417	9.5
161.04768	7.9
162.05589	1.5
172.05322	4.3
172.07625	1.6
173.03516	2.1
173.04797	6.0
173.06097	5.3
173.09697	2.4
174.04309	5.7
174.05592	18.2
175.00433	1.1
175.05161	2.1
185.46300	1.0
186.05533	1.9
187.06343	1.6
188.07179	1.4
189.06728	1.5
190.07465	4.5
191.08302	2.4
199.07634	6.7
200.07129	5.0
201.07794	4.6
201.09546	7.9
202.08733	11.7
213.09254	1.4
214.08740	4.9
216.10353	2.5
227.07062	1.3
228.06668	2.0
232.08562	2.3
241.05052	6.4
242.08315	11.5
243.09090	7.7
244.09859	16.1
245.09349	1.8
256.09744	4.1
267.03064	2.5
269.04614	7.1
287.05560	1.5
287.14023	6.4
295.02347	1.9
312.13474	3.9
313.03571	5.0
317.11484	1.4
320.16678	1.1
328.16739	1.3
339.16931	1.7
341.15372	1.1
347.07980	1.1
355.04752	2.1
363.17236	1.3
370.17575	12.3
381.18237	100.0
382.18268	4.3
415.06934	12.1
424.18802	4.4
436.91284	1.1
436.98132	1.1
442.19919	16.4
475.09024	3.8
475.20132	2.4
587.25153	1.9
605.26038	15.2
618.80365	1.1
624.46252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82671	0.8
57.03460	1.2
58.13984	1.1
59.01385	20.1
59.70186	0.9
63.52711	0.8
67.49273	0.9
71.01381	5.6
71.05025	0.9
73.02934	1.9
73.44302	0.9
75.73809	0.9
82.02957	1.0
83.01367	1.5
85.02990	1.7
89.02460	1.6
96.19949	1.1
96.96001	4.9
101.02453	4.4
109.02993	1.3
111.00894	2.5
113.02459	1.7
120.04543	1.3
122.06129	1.4
124.07671	3.9
129.01892	1.6
129.05565	2.2
133.02985	2.0
134.03690	1.2
135.04575	1.3
136.07701	8.8
138.09248	4.5
139.00394	2.4
147.03281	1.7
148.04057	14.3
149.04802	2.1
150.05640	10.3
157.06544	1.8
160.04068	4.3
161.02448	3.8
161.04752	6.2
162.05664	1.8
172.05324	3.9
173.03532	1.4
173.04793	4.8
173.06096	7.7
174.04305	3.7
174.05617	18.1
175.05122	1.8
179.03465	2.0
186.05602	2.1
187.06354	1.8
189.06743	2.2
190.07397	2.0
199.07700	7.3
200.07150	4.7
201.07890	6.5
201.09277	6.9
202.08775	8.7
213.09233	2.2
214.08742	6.8
216.10300	1.8
221.15297	1.0
227.07153	2.4
228.06789	1.4
229.07439	1.5
229.18185	1.6
232.08582	1.5
242.08302	8.7
243.09109	11.0
244.09941	20.2
245.09329	1.5
256.09766	6.8
267.03217	1.4
287.14005	4.5
312.13422	4.2
328.16647	1.6
339.17157	2.2
357.26590	7.7
370.17545	7.7
381.18265	100.0
382.17715	2.4
424.18829	4.1
425.17490	1.7
442.19907	12.5
475.19916	1.9
561.26227	2.1
587.24945	2.0
605.26337	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	605.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15515	0.8
57.03459	1.2
59.01389	12.0
63.30591	0.8
68.69708	1.1
71.01395	3.8
81.03461	1.0
82.03014	4.3
82.36163	0.9
83.05031	1.1
85.02972	1.9
87.00919	1.5
89.02434	1.2
92.10862	2.0
96.04592	1.3
96.96010	1.2
101.02448	1.8
109.02974	5.4
110.06142	1.4
111.00905	2.3
113.02466	1.3
120.04565	2.5
121.03014	1.5
122.02490	1.1
122.06078	3.6
124.07681	2.2
129.05563	1.9
133.02980	4.9
135.04497	1.7
136.07693	10.4
137.02586	1.1
138.09250	8.1
139.00391	2.0
147.03262	2.2
148.04060	22.3
149.02420	1.0
149.04849	6.2
150.05614	29.1
153.01912	1.6
155.15390	1.0
160.04056	4.1
161.02460	6.7
161.04863	7.5
162.05579	1.7
164.10883	1.3
172.05319	5.8
173.03613	3.1
173.04808	5.3
173.06114	7.6
173.09692	1.3
174.04324	10.1
174.05634	17.4
175.05154	6.7
186.05583	1.6
187.06427	1.4
188.07237	1.5
189.06717	4.8
190.07500	5.8
191.08275	5.5
193.48418	1.1
195.03015	1.5
199.07672	6.0
200.07178	4.5
201.07791	4.4
201.09506	9.1
202.08734	10.8
213.09283	1.2
214.08719	8.7
214.33807	1.1
215.10860	1.2
216.06732	1.1
216.10387	1.9
226.08846	1.5
227.07162	1.6
228.06757	2.0
232.08563	5.0
233.09380	4.6
241.05075	2.5
242.08305	9.7
243.08957	6.2
244.09946	19.8
245.09383	1.7
256.09772	5.6
267.03122	1.6
269.04617	4.8
287.14114	11.6
289.22635	1.4
295.02524	1.7
312.13507	7.5
313.03656	2.4
328.16824	2.5
339.17041	2.1
341.15244	1.5
355.04776	1.3
363.17480	1.5
370.17706	16.8
381.18243	100.0
382.17850	2.6
415.06686	5.8
424.19287	7.5
425.17267	1.8
442.19940	26.5
466.29718	1.2
475.09033	1.3
475.19955	1.1
501.30719	1.6
587.24634	4.3
602.52618	1.2
605.26373	16.4
629.85480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.6
60.18283	0.8
61.98835	100.0
71.01382	16.5
85.02988	1.4
89.16247	1.1
89.37453	1.1
89.58456	1.2
97.78892	1.2
113.02468	1.4
145.53783	1.1
146.02757	1.1
339.31702	1.3
350.40491	1.2
381.11893	5.7
423.13242	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	605.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92509	0.7
53.09813	0.6
59.01380	7.3
71.01382	4.4
73.02935	1.4
80.77445	0.6
85.02958	4.2
91.28741	0.7
92.10794	1.7
93.03453	1.0
96.96012	4.3
101.02455	1.2
108.02177	1.1
109.02950	15.5
111.51032	0.8
113.02509	0.9
121.02942	20.6
132.02090	0.9
133.02957	8.3
135.04494	1.1
136.01701	0.7
136.09711	0.8
137.02435	6.5
141.07114	0.8
148.03923	0.8
149.02457	3.8
153.01906	2.6
157.06569	0.9
159.00883	1.4
160.01631	2.9
161.02455	10.2
165.01912	1.2
167.05019	1.4
169.06541	2.8
171.04552	0.9
173.02397	0.7
174.05669	1.0
175.00340	4.3
175.04016	0.8
177.01888	4.7
178.99832	1.1
179.03613	0.9
182.03641	0.9
185.06049	5.3
189.01942	3.1
193.01419	4.0
195.02977	1.7
195.04550	4.9
196.05289	1.6
197.06052	5.3
201.01932	1.4
202.08806	0.9
202.99799	5.7
207.04489	0.8
211.04031	4.8
212.04759	1.4
213.05602	15.6
217.01413	5.6
219.02899	0.8
223.03960	8.8
224.04807	4.0
225.05626	7.7
226.02681	1.0
227.03548	1.1
235.02458	1.0
239.03560	9.8
239.07523	0.8
240.04282	6.8
241.05086	56.1
242.05484	1.1
242.08243	1.4
243.06615	6.9
243.08902	2.0
244.09686	1.6
245.00984	5.5
251.03523	3.0
252.04195	0.9
266.02158	3.6
267.03003	38.1
268.03668	3.5
269.04587	80.9
287.05676	15.7
295.02524	32.8
296.03198	4.1
305.02872	1.4
306.00674	0.8
313.03561	49.5
329.06671	3.5
339.17172	0.9
355.04639	45.1
371.07758	1.7
381.18243	8.5
385.05490	5.4
415.06760	100.0
416.06912	1.0
431.09482	0.9
442.20334	1.8
475.08859	32.7
495.11533	1.1
573.12335	0.9
605.14941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83529	0.2
54.60943	0.2
57.69267	0.3
59.01382	2.0
71.01371	1.4
72.69102	0.3
85.02930	0.5
95.01357	0.4
101.02435	0.7
104.05047	1.9
106.06619	100.0
107.06982	0.6
108.08195	4.1
113.02428	1.7
116.17395	0.4
118.06616	3.4
120.08184	1.6
130.06616	1.9
131.03746	1.3
132.04510	0.4
133.02968	0.4
133.25175	0.3
134.06049	0.6
146.06073	2.4
148.07645	0.4
150.05600	62.7
161.02393	0.5
162.05643	1.3
164.07162	18.9
174.05586	1.5
183.07321	0.4
188.76987	0.3
192.06679	8.6
194.04604	13.3
200.79726	0.3
222.07727	0.7
236.05693	3.7
250.07213	0.4
252.97720	0.3
296.07767	1.8
316.15384	0.4
338.08826	0.7
340.17728	0.3
356.09921	15.3
390.14169	0.4
398.10962	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20371	5.6
59.01385	68.8
64.34152	6.2
71.01386	11.9
81.03487	7.7
86.99774	6.4
97.02976	8.8
101.02476	12.8
113.02521	8.1
113.64526	7.9
114.38822	7.4
125.00653	7.1
161.82336	7.0
163.11327	8.0
191.14394	10.6
209.11807	16.8
219.85262	6.8
225.11240	10.6
245.19153	8.9
253.09258	39.8
289.18140	84.0
307.19144	100.0
312.60519	7.7
511.32333	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	603.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36041	2.2
53.33609	2.5
58.20931	2.2
59.01387	77.5
64.34157	2.5
69.93293	2.3
71.01423	11.9
83.01446	5.4
83.05010	2.5
85.02985	3.0
89.02470	12.6
93.03400	3.2
97.06606	11.5
101.02477	16.9
113.02503	4.4
120.04575	4.6
123.04510	3.7
123.65874	2.9
125.09737	11.8
147.04466	2.8
163.11292	13.2
181.12344	3.9
185.11876	17.4
191.14491	10.9
207.10402	4.7
209.11870	35.1
225.11443	3.5
228.32458	2.7
237.11391	3.9
245.19107	24.7
253.09328	40.2
263.20166	3.1
266.53989	3.2
271.17023	3.7
280.13077	3.3
289.18140	100.0
290.18384	3.2
307.19196	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12460	1.3
53.46178	1.2
55.01891	1.4
57.03453	2.1
59.01385	52.8
59.01649	2.1
59.34507	1.4
71.01391	14.1
73.02976	6.8
83.01409	2.6
85.02972	3.7
87.00881	2.1
88.98820	1.8
89.02473	10.8
96.96040	2.4
97.02970	1.8
97.06632	1.9
101.02421	14.0
103.58051	2.1
113.02489	7.5
115.00414	2.0
125.02428	1.9
125.09719	3.2
125.75349	1.6
126.16908	1.5
133.03003	1.7
134.03761	2.1
137.09766	2.9
163.11308	11.1
165.12932	1.6
175.11067	2.1
183.12735	1.8
185.11870	10.5
191.05679	1.9
191.14433	11.2
194.45403	1.7
195.04988	1.8
207.10266	8.2
225.11325	8.1
245.19130	29.9
253.09277	23.2
271.16919	2.2
289.18124	100.0
290.41187	1.7
297.78168	1.8
307.19226	40.8
312.94968	2.4
325.23901	3.5
337.23923	2.7
355.25046	35.8
499.29297	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82712	0.3
55.33834	0.3
59.01396	3.3
60.99313	23.0
62.06581	0.3
65.81489	0.3
71.01376	0.5
73.02924	0.4
81.03454	0.5
85.02969	1.3
88.98806	100.0
96.95974	0.4
101.02443	0.4
106.11290	0.3
111.00921	0.5
119.04986	1.3
123.04508	0.4
125.02428	0.4
129.01918	1.7
129.14406	0.4
133.02957	0.6
137.02469	0.3
151.00392	0.4
161.02478	0.5
269.00916	0.8
283.06378	0.4
312.05447	0.4
355.24887	0.6
372.29565	0.3
389.06717	0.6
513.11871	3.2
549.16003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65372	4.4
59.01382	45.4
71.01390	7.5
72.99313	13.8
78.95898	6.6
83.05012	6.4
85.02968	6.6
87.00877	52.7
93.03461	8.0
112.98820	24.1
119.05029	69.3
125.09723	11.1
131.18591	5.9
135.04520	7.3
137.04889	5.7
145.02963	50.9
147.04518	49.1
149.06157	6.3
161.06139	7.3
163.04045	14.7
171.10246	5.9
175.03987	35.8
177.05589	13.3
185.11864	9.4
187.09700	5.8
197.11807	26.3
203.03548	100.0
209.11850	30.4
215.03539	21.8
245.19113	6.8
277.03625	99.1
307.19302	54.3
325.20313	57.7
355.25037	14.1
357.64886	6.0
422.21210	7.6
457.20773	34.1
603.30072	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	602.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38449	0.5
52.24891	0.6
59.01385	30.2
61.98832	0.8
62.00285	0.7
78.95904	13.3
80.96478	0.7
87.14111	0.6
107.21290	0.7
152.99646	2.8
168.04283	3.4
205.19604	1.3
224.06900	1.2
242.08099	5.8
259.24252	6.2
303.23325	100.0
500.82635	0.8
528.31018	40.6
599.44482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48804	0.3
58.13124	0.3
61.98831	100.0
65.38144	0.3
78.95892	0.4
79.53138	0.3
89.90822	0.4
92.10189	0.5
97.27663	0.3
106.47785	0.4
118.38479	0.3
122.45195	0.4
138.95277	0.4
297.84247	0.4
303.23337	0.5
304.86356	0.4
305.24094	0.5
320.77118	0.4
375.64471	0.4
421.13025	0.4
583.73016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49957	0.5
58.62566	0.5
58.77271	0.5
61.98840	100.0
69.99455	0.6
72.96218	0.6
83.36400	0.7
131.52225	0.7
333.30945	0.7
362.21921	0.7
541.69781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87783	1.1
59.01394	7.2
67.55817	1.2
71.01401	1.7
72.80203	1.2
73.02954	2.7
77.22615	1.1
78.96346	1.1
79.05562	7.5
87.04549	2.1
134.03764	1.9
135.04536	11.2
144.77116	1.4
155.77638	1.6
158.31824	1.5
169.12373	8.3
170.28358	1.3
179.03485	2.1
186.79416	1.4
195.78192	1.4
195.98030	1.2
199.35907	1.3
253.18130	27.2
265.18161	1.7
293.21426	2.0
323.22372	4.7
335.22220	1.6
349.24124	4.9
353.23386	100.0
367.25064	5.2
374.80215	1.3
395.24338	3.0
443.08905	1.5
494.14868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98528	1.9
55.92154	1.7
57.03489	2.1
58.45913	1.8
59.01395	2.6
59.22433	2.0
73.12084	2.0
95.05070	2.7
97.02960	2.5
116.92843	3.3
123.04518	3.2
125.09708	9.8
137.09642	2.6
138.10008	2.2
153.09219	11.2
163.11317	8.7
171.10243	14.3
185.11842	4.1
191.14407	11.3
195.13933	10.3
207.10211	4.4
209.11847	10.1
223.13402	3.5
225.11211	2.6
245.19078	26.5
287.16898	2.3
289.18137	75.0
291.19467	2.5
293.21298	48.9
307.19177	100.0
325.20331	22.6
434.87988	2.8
449.14337	2.6
565.38885	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	601.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.1
59.01383	100.0
60.51770	1.3
64.00224	1.4
64.34253	1.4
65.03983	1.6
65.17931	1.7
69.03468	2.6
71.01373	31.7
72.99332	3.1
73.02959	5.9
74.37111	1.6
76.64808	1.7
81.03457	8.0
83.01408	2.9
83.05040	2.2
84.02188	1.8
85.02955	35.4
85.74270	1.5
87.00880	6.7
87.60090	1.5
89.02435	22.3
93.03466	2.1
95.01419	6.7
96.96005	34.2
96.96986	2.2
97.02973	3.8
98.95602	8.4
99.00865	2.3
99.04512	24.2
99.04975	1.5
101.02431	28.2
102.56210	1.6
109.02972	3.4
111.00885	3.8
111.04556	7.0
113.02452	42.1
119.03490	15.8
119.05035	6.9
120.24344	1.5
127.04016	24.4
129.05569	3.8
135.04503	2.1
139.04027	11.0
157.05049	2.6
159.90982	1.7
163.04007	7.8
200.81010	1.7
265.09280	2.6
266.45505	2.0
277.09149	1.7
285.44446	2.0
291.07242	82.9
309.11957	28.6
324.97534	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	601.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.6
57.03453	11.5
57.34606	1.2
58.00615	1.2
59.01387	100.0
65.03967	2.1
69.03461	3.2
71.01382	32.2
71.05042	1.5
72.99316	2.8
73.02959	7.1
81.03473	9.0
83.01409	3.3
83.05041	7.1
84.02172	1.7
85.02952	34.7
87.00895	2.6
89.02447	22.6
93.03509	1.3
95.01402	7.5
96.96007	22.6
96.96957	2.0
97.02969	3.3
98.95605	5.5
99.00893	1.5
99.04520	25.2
101.02450	32.7
102.98682	1.4
109.02966	2.6
111.00900	2.9
111.04537	2.5
113.02467	39.5
119.03525	13.5
119.04998	2.4
121.02971	2.3
123.04585	1.6
125.02438	1.8
127.04001	19.0
129.05588	3.3
129.63626	1.6
139.04044	7.6
143.03537	1.4
153.39476	1.2
157.05087	1.9
161.04538	2.1
163.04022	2.7
253.21472	1.5
265.09192	5.6
277.09308	2.1
291.07281	81.5
291.10574	2.6
309.11996	36.4
317.46317	1.6
325.95471	1.3
539.15302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19218	0.2
71.01393	0.2
75.00871	0.2
78.95895	1.8
79.95744	1.8
96.96009	100.0
119.05004	1.2
123.62263	0.2
125.02448	0.2
133.02916	1.6
135.04510	1.0
161.02448	8.8
163.03983	1.3
179.03497	1.6
200.52859	0.2
211.81337	0.2
222.17650	0.2
341.08682	2.6
496.83524	0.2
503.14044	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	601.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14285	0.3
56.06567	0.3
65.54673	0.3
71.01385	0.4
78.95904	59.4
85.72977	0.3
96.96050	7.3
96.96954	100.0
101.02423	0.7
133.02887	0.6
135.04501	0.8
138.98010	5.3
168.99084	2.6
179.03439	0.7
199.00224	3.0
210.09946	0.3
241.01183	0.7
259.02249	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60403	1.0
59.01389	12.6
59.59436	1.1
67.01929	1.3
71.01385	11.4
72.82287	1.1
72.99306	1.6
73.02953	5.2
74.13270	1.3
74.20538	1.3
75.00899	3.1
83.01383	10.3
84.02172	2.3
85.02952	3.1
87.00878	27.1
93.03471	6.2
95.01437	1.6
96.96030	5.4
97.02976	2.2
99.00877	8.2
101.02449	1.5
103.00490	1.3
105.01920	2.4
109.02953	1.6
111.00908	8.8
113.02454	1.8
113.99566	2.3
115.00376	100.0
117.03475	3.2
119.05024	36.1
121.02943	2.6
123.04508	7.4
125.02420	7.7
129.01932	1.6
130.04190	1.4
132.02159	1.8
132.05742	1.8
133.02921	9.3
133.06607	13.3
135.04521	7.1
137.02483	2.0
139.00368	8.3
143.05046	2.8
145.02983	15.0
145.06630	2.6
146.04826	1.5
147.03391	1.5
147.04538	16.9
156.00679	1.7
157.01418	6.2
159.04568	2.9
161.02438	6.2
161.06102	5.8
163.03986	2.4
171.04486	11.5
172.05231	1.7
173.06064	5.6
174.01723	13.8
175.02470	33.1
175.03984	14.7
177.05580	18.6
185.06126	2.5
187.04108	9.8
187.07619	2.2
189.05661	12.4
190.06377	3.1
191.07167	18.8
203.03528	5.5
205.05045	2.6
206.05841	5.8
207.06705	3.4
215.03523	3.0
215.07155	7.9
216.04301	6.4
217.05154	11.4
218.05859	16.4
221.04575	2.7
224.42078	1.5
229.62100	1.6
231.06660	2.3
242.67497	1.5
259.06158	16.9
261.03992	6.4
291.08774	59.0
293.51730	1.7
304.91852	1.5
425.11127	2.7
495.15079	2.9
497.13184	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	600.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98833	100.0
84.95170	0.4
92.10162	0.4
153.01842	0.4
163.03883	0.4
174.59401	0.4
188.08089	0.3
302.21957	0.4
303.22394	0.5
311.53189	0.4
319.59268	0.4
327.06204	0.4
411.23111	0.4
474.59940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55275	0.8
56.25651	0.9
58.88524	1.0
59.01383	100.0
59.17249	1.0
66.21878	1.0
70.53912	1.0
88.68201	1.2
105.57204	1.2
115.02512	7.3
117.00433	10.0
132.98238	2.0
157.03571	1.5
159.01500	82.7
174.99277	19.9
182.14684	1.0
189.27551	1.2
201.02582	28.8
209.59477	1.1
216.98241	1.7
217.00337	52.0
236.85396	1.3
259.01614	2.7
274.99396	5.2
300.99524	2.4
301.02695	45.1
309.62039	1.3
317.00482	31.7
332.98108	1.2
335.33151	1.4
353.65796	1.3
359.01663	11.6
361.30475	1.2
371.61084	1.2
374.99527	1.2
408.94824	1.2
459.01819	7.7
541.00781	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	601.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23449	8.8
52.38409	9.8
59.01394	68.3
71.01382	17.8
73.02948	12.9
74.35701	12.3
87.00908	13.9
92.10788	24.1
95.64602	11.8
96.63988	14.2
101.02465	15.0
111.00900	87.0
116.56051	12.5
119.05026	100.0
139.00400	73.4
187.04059	15.0
197.02588	16.9
213.01923	18.2
225.88188	14.2
260.76959	16.0
309.00812	13.8
309.04282	19.4
323.06064	14.0
329.03217	46.4
353.23425	55.8
366.03461	13.4
379.21484	14.5
461.08350	12.1
509.43210	12.8
524.07129	27.1
557.29846	50.3
601.09784	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16128	0.2
59.01390	1.0
71.01392	0.9
73.02964	0.3
75.00904	0.2
81.03454	0.4
82.47076	0.2
83.01363	0.5
85.02970	0.8
89.03979	0.2
91.01889	0.3
95.01391	0.3
101.02422	1.4
105.03468	0.3
107.01397	0.7
107.05058	0.2
108.02165	0.3
109.02951	12.3
111.00879	1.0
113.02446	0.4
115.01900	0.3
117.03461	0.9
121.02900	0.2
123.00916	0.5
123.04531	0.3
124.01694	1.0
125.02421	0.3
132.02174	2.1
133.02950	46.3
134.03757	1.6
135.00873	0.4
135.04515	15.3
137.02426	0.9
149.39754	0.2
152.01208	1.4
152.02377	0.2
153.01941	14.7
160.01656	0.2
161.02446	100.0
162.02821	1.0
165.02045	0.2
178.02821	0.2
179.03499	6.2
179.85007	0.2
195.03102	0.3
237.04092	0.2
245.96866	0.2
255.04997	0.3
382.99915	0.2
398.41306	0.2
420.13074	1.4
438.14047	8.8
464.15656	7.0
600.17322	50.0
601.17499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.3
59.59529	0.5
61.98829	4.9
71.01382	1.1
72.75801	0.5
75.00878	0.7
80.57875	0.4
85.02960	0.9
88.65866	0.4
91.05589	0.5
92.10835	2.2
97.56296	0.4
101.02451	0.9
105.03508	0.4
109.02956	11.3
113.02448	0.5
123.00885	1.1
124.01674	0.7
129.01886	0.5
132.02174	2.7
133.02953	44.4
134.03755	1.2
135.04520	14.1
137.02411	0.9
146.85571	0.5
152.01169	0.8
153.00710	0.6
153.01941	13.9
161.02448	100.0
162.02736	0.9
179.03551	6.7
195.02968	0.6
255.05215	0.6
268.02866	0.5
420.13190	1.0
438.14194	6.1
464.15762	6.7
600.17328	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83077	3.7
59.01380	5.9
59.03259	3.4
60.33910	3.5
78.95898	13.7
80.11138	3.1
89.90391	3.6
115.11115	3.2
125.09689	6.4
127.64182	3.7
135.78278	3.3
137.09744	4.7
140.17505	3.9
146.51218	3.4
152.99599	8.8
153.09219	8.2
163.11261	15.2
165.12836	28.5
171.10236	21.1
185.11812	13.2
191.14442	6.1
199.49516	3.4
207.10265	7.8
209.11777	8.1
245.19154	25.7
247.20580	7.9
263.20264	4.3
279.23428	5.8
289.18127	100.0
291.19693	63.8
307.19244	80.3
325.20267	21.4
453.19348	4.1
544.28400	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	599.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90379	1.2
57.03452	3.3
59.01385	5.7
61.98834	7.6
66.49318	1.2
69.03453	2.5
71.05032	1.4
74.01710	1.2
78.95886	1.6
80.02712	2.1
81.03458	6.0
83.01379	13.1
83.05058	7.0
95.05031	3.1
97.02972	7.7
97.06596	14.0
103.22060	1.5
109.06606	2.3
123.04547	13.4
123.08184	3.2
125.09714	23.1
135.08162	2.6
137.09715	16.5
141.12868	2.6
142.02815	1.4
145.01791	1.5
149.06082	3.1
152.99565	1.5
160.09120	1.8
163.11279	17.2
165.12837	18.0
167.10840	1.8
179.10782	2.4
181.12314	2.4
185.11819	17.4
191.10776	3.4
191.14438	14.1
207.10307	12.5
209.11862	69.4
211.13438	1.6
225.11389	11.5
245.19099	33.8
247.20680	7.7
263.20206	5.3
271.17316	2.7
273.18640	2.7
289.18137	100.0
291.19736	38.4
301.21805	2.0
307.19202	77.6
523.63629	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	599.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57706	0.3
54.82350	0.3
59.01383	25.7
61.98820	0.6
66.76144	0.3
71.01376	4.5
73.02966	0.6
76.76209	0.3
78.95886	0.4
83.01411	0.7
85.02980	1.4
89.02430	4.5
95.01407	0.3
101.02428	4.1
113.02477	1.7
119.03486	1.3
143.03630	0.5
161.04561	1.6
167.11513	0.3
205.19707	0.8
213.69113	0.4
235.08121	0.5
253.09302	14.3
259.24277	5.3
285.22308	0.4
303.23337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.0
61.98830	0.9
67.70182	0.7
71.01399	5.0
73.02979	0.8
82.95447	4.1
85.02966	0.8
89.02454	3.8
101.02419	5.5
113.02467	1.1
113.89005	0.6
114.39169	0.7
119.03452	0.7
131.74228	0.7
161.04501	1.2
253.09340	15.5
259.24274	4.5
303.23346	100.0
310.15305	0.7
370.75546	0.7
416.90460	0.7
439.64490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00293	2.5
59.01391	14.1
61.98845	14.9
71.01410	2.5
71.71135	2.1
85.02939	2.6
93.53435	2.2
102.98033	2.3
109.02981	14.0
110.56760	2.5
111.65326	2.3
125.02463	2.8
126.80463	2.2
128.11169	3.6
133.02975	5.9
137.02380	2.5
141.84984	2.4
142.06647	3.4
145.02933	17.1
149.02461	2.7
153.01929	2.8
161.02458	5.8
182.04019	2.4
193.01389	2.6
195.02972	2.5
195.04604	9.6
202.99867	2.2
204.06668	8.7
211.04059	17.5
213.05638	5.4
223.04042	17.1
227.03581	2.6
239.03673	20.7
241.05136	19.8
251.03476	8.6
255.42142	2.2
258.24643	2.5
266.02158	4.6
267.03076	42.0
268.03766	2.7
269.04651	17.1
283.02844	2.4
295.02512	77.1
295.05667	5.0
488.12042	5.1
598.15723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56163	2.6
57.74590	2.1
59.01391	21.0
60.88667	2.3
92.10133	3.1
95.50892	2.5
103.66684	2.7
114.38453	2.6
126.79974	2.9
134.06158	5.5
148.04054	4.9
160.04083	2.8
162.05692	3.1
195.80115	2.8
201.07874	3.3
207.09241	3.1
211.08675	2.7
213.06760	3.8
215.08302	2.9
223.08749	3.3
226.07503	5.5
227.08287	12.8
234.14624	2.4
239.08255	2.9
240.05470	4.4
241.06233	10.1
241.09860	14.4
242.06966	22.3
243.07761	4.6
250.07373	3.0
251.08426	17.8
252.09178	3.6
253.06195	4.9
253.09854	5.0
254.07047	16.0
255.07779	46.7
256.08569	5.2
264.08878	4.9
265.09860	24.5
266.10620	71.6
267.07700	5.6
267.11328	11.9
268.08557	10.7
269.09338	62.2
270.10144	29.2
283.10959	10.3
284.11765	44.8
285.12512	9.0
313.08517	3.8
314.09277	23.8
315.09888	5.0
328.10709	2.7
329.11658	3.2
330.12720	3.4
332.54037	3.0
333.11636	3.9
344.14093	5.2
357.11276	3.9
361.10855	3.7
362.11670	3.9
372.13559	42.8
376.13284	5.9
386.15155	15.1
387.15823	41.5
390.14554	3.7
394.49707	2.9
405.17169	5.1
434.13751	3.8
449.16016	39.6
450.16666	4.1
464.18411	5.4
476.06528	2.6
478.19907	100.0
599.25171	59.5
600.25800	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	597.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03487	0.4
59.01384	35.0
63.99943	0.4
71.01374	5.5
72.14883	0.4
73.02938	0.5
75.06319	0.5
80.96542	0.6
82.95416	10.2
83.89503	0.5
85.02959	2.3
87.00859	0.6
89.02451	4.7
92.10715	0.7
95.01405	0.5
95.84685	0.4
96.18423	0.5
101.02441	6.5
108.96108	0.5
109.06702	0.5
113.02451	2.8
119.03456	0.8
121.10204	0.6
126.15884	0.5
143.03546	0.7
161.04620	1.1
179.05666	0.7
203.17990	0.7
235.08191	0.7
253.09305	17.4
253.11765	0.8
257.22717	8.7
301.21762	100.0
302.22162	1.7
340.45093	0.5
463.49734	0.5
553.98645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
56.38108	0.3
56.44281	0.4
58.96686	0.4
59.01384	39.2
61.98831	6.4
65.18224	0.4
68.19466	0.4
69.47717	0.4
71.01374	7.1
73.02936	1.1
82.95418	17.2
83.01403	0.4
83.05007	0.4
84.18957	0.4
85.02975	2.1
89.02442	6.8
89.02836	0.4
91.04007	0.4
101.02450	7.1
113.02453	3.7
114.35979	0.4
119.03493	2.2
135.11888	0.5
143.03534	0.4
152.94557	0.4
161.04556	2.0
179.05518	0.7
197.07808	0.4
203.18050	2.1
210.55563	0.4
240.39474	0.4
253.09331	21.3
257.22806	10.1
264.38702	0.5
283.20395	0.4
301.21774	100.0
302.22061	2.1
346.41302	0.4
474.49536	0.5
475.60962	0.5
497.61606	0.5
527.75244	0.5
582.08276	0.5
625.98914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24414	1.5
56.58462	1.9
57.03445	16.6
59.01383	4.8
61.98845	12.6
69.03455	2.5
72.02162	2.0
72.84958	2.1
75.79855	1.9
81.03474	4.7
83.01408	13.3
92.10044	4.3
93.03435	3.4
97.02940	8.0
99.04523	2.8
102.34859	1.8
109.02974	8.6
121.02980	12.7
122.03754	3.9
123.29518	2.1
125.02445	78.4
130.08017	1.9
135.04509	4.2
137.02452	100.0
139.04010	3.7
145.50482	2.1
146.03755	63.1
147.04509	3.7
151.04062	7.4
159.04517	13.0
160.05325	14.0
161.06122	2.7
164.01166	4.4
165.01938	99.0
167.03511	21.2
172.05359	4.5
173.06088	10.2
174.03265	14.4
174.06848	4.4
179.03514	3.9
185.06039	2.8
186.06795	6.9
187.03986	2.6
201.05623	3.1
201.09225	2.5
204.04329	8.9
211.04027	2.2
225.05591	9.0
226.06429	4.3
243.14008	4.0
267.06750	2.5
268.07477	9.6
271.13425	85.0
283.13474	7.8
285.15134	3.3
289.14468	43.8
297.15027	2.7
299.12924	4.0
301.14478	8.6
317.13980	11.8
393.16885	2.2
429.23129	4.5
441.22818	11.6
455.17252	22.7
459.24127	4.4
579.25677	7.8
597.27173	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43225	0.4
57.36324	0.4
59.01385	13.5
59.89479	0.4
67.01901	2.5
68.88110	0.5
69.03468	0.7
71.01393	8.2
73.02944	16.0
75.92151	0.5
80.02690	0.6
81.03469	10.1
83.01416	2.4
85.02932	0.9
87.00903	0.9
89.02455	0.7
91.01905	0.8
93.03465	0.8
93.99984	0.5
95.01389	5.6
97.02979	1.0
101.02446	8.8
105.03465	0.6
107.01389	7.6
108.02180	6.0
109.02955	67.6
111.00892	2.6
113.02466	3.1
121.02927	1.2
122.03730	1.2
123.00878	12.4
123.04530	1.0
124.01659	2.6
125.02441	13.6
133.02940	3.6
134.03709	3.1
135.00858	1.0
135.04526	14.5
137.02435	2.4
137.47618	0.6
139.03979	0.9
146.03714	3.2
149.02438	2.4
149.06053	1.8
150.03244	5.6
151.00371	46.8
151.03990	2.1
152.01160	29.7
153.01942	100.0
159.38809	0.5
161.06041	0.7
163.03987	2.0
164.04813	2.3
165.01881	2.1
165.05522	5.6
167.03505	3.7
177.01897	2.6
178.02753	0.7
179.03506	14.5
179.07091	2.1
182.93791	0.5
185.02776	0.7
194.02209	1.2
195.03000	17.1
195.06635	1.3
207.02998	6.0
220.25401	0.7
237.04005	1.0
249.04082	1.0
297.06152	3.2
301.07208	8.2
313.07166	4.9
331.08276	10.4
341.08881	0.6
349.09302	9.8
355.07147	0.6
356.07529	13.6
357.08304	46.0
375.10837	2.5
411.09097	2.1
505.13477	0.7
535.14673	1.1
553.15961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.4
59.01382	19.7
62.55285	1.0
67.01907	1.2
71.01380	13.0
73.02938	15.7
81.03455	13.9
83.01375	2.8
84.00468	1.2
85.02971	2.2
89.02457	1.3
93.03481	1.6
95.01385	5.3
97.02965	2.2
99.00865	2.0
101.02424	12.0
107.01411	9.0
108.02181	7.0
109.02956	54.9
111.00905	2.0
113.02453	6.3
117.03577	1.1
121.02976	6.6
123.00882	11.8
123.04565	2.2
124.01640	1.6
125.02431	23.2
133.02963	1.7
134.03685	1.3
135.00873	1.3
135.04527	2.7
137.02420	2.8
139.00307	1.3
149.02451	4.7
150.03232	6.8
151.00383	48.2
151.03993	6.3
152.01164	25.9
153.01947	100.0
161.06299	1.2
163.00395	1.6
163.04012	2.2
165.01932	6.2
165.05522	5.1
167.03468	4.6
177.01933	2.8
179.03467	5.7
179.07182	1.7
183.02945	2.2
195.02982	21.7
197.04506	1.8
207.03018	9.8
225.04015	10.2
237.04042	2.0
239.36998	1.4
249.03906	1.4
255.05220	9.0
267.69128	1.2
283.02798	1.2
297.06143	1.8
301.07275	8.4
313.07156	4.7
315.80630	1.3
331.08319	10.8
344.73163	1.4
345.08411	1.8
349.09232	6.6
356.07541	13.6
357.08340	48.0
411.09494	1.5
445.19315	1.4
477.10583	4.8
507.11520	1.5
597.15051	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	597.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57111	1.2
50.73187	1.1
56.44871	1.1
59.01390	8.4
72.99332	1.9
87.00879	12.8
96.96025	8.6
103.00352	2.4
112.98836	6.8
119.05019	71.2
149.00928	31.3
163.04010	100.0
195.05095	2.0
281.16827	1.4
295.04565	19.9
307.39832	1.4
457.71967	1.5
527.99261	1.6
543.03162	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	597.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65071	1.2
52.92757	1.0
54.57623	1.0
58.93767	1.1
59.01379	10.2
61.98843	1.5
71.01390	6.6
72.67047	1.0
73.02946	1.9
74.86838	1.1
83.01427	1.5
85.02955	5.1
88.98829	1.6
89.02427	1.6
101.02454	2.4
108.02163	2.5
109.02955	85.4
109.42472	1.2
111.00860	2.0
112.49640	1.3
113.02467	2.7
117.03495	13.8
119.05022	26.8
123.04549	2.3
125.02463	1.9
133.02946	5.5
133.06607	1.6
134.03752	1.8
135.04530	3.2
142.02032	1.3
145.02963	33.8
147.04462	1.8
151.04030	1.8
152.01201	10.9
153.01945	100.0
155.90607	1.2
159.04480	5.7
161.02420	5.7
163.04001	12.4
176.76123	1.5
179.03491	2.4
187.03989	14.7
191.03432	1.7
195.03008	44.9
221.02589	1.3
225.04057	2.2
229.05017	2.0
237.03946	1.5
241.72832	1.5
255.05202	11.4
273.03564	1.4
279.05099	2.9
297.06238	6.3
375.27789	9.4
401.08899	12.7
443.10080	4.5
461.10648	2.2
563.41229	1.4
597.12592	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40141	0.4
57.03468	0.5
59.01379	5.3
67.75202	0.5
71.01399	2.3
73.02972	1.0
80.28475	0.6
85.02958	1.2
87.04498	0.6
89.02452	1.2
90.37080	0.5
97.06602	4.5
109.02977	0.9
109.06593	0.7
113.02480	0.7
133.02968	1.0
135.04517	1.2
155.10902	0.6
161.02443	1.3
171.10240	0.7
183.13933	0.8
185.11855	3.0
196.56151	0.6
201.11362	1.1
213.14986	2.9
225.14957	0.7
227.16533	5.3
239.16624	1.4
255.16005	1.4
257.17596	17.5
271.19095	1.1
275.08926	0.7
288.06473	0.9
303.08783	1.4
307.23068	0.6
313.24008	0.9
343.24966	4.0
355.24994	4.6
371.24741	0.6
373.26010	100.0
374.26462	2.6
403.21451	0.6
505.30453	0.7
624.93842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2898
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.07512	0.5
59.01406	0.6
67.75726	0.4
78.95902	72.7
80.51955	0.5
82.83201	0.5
92.56168	0.5
96.96961	16.5
150.98018	2.0
152.99599	100.0
156.28166	0.5
170.63979	0.5
171.00667	2.4
178.99765	0.5
223.00174	13.8
241.01212	28.0
259.02289	0.9
279.23322	95.0
280.23706	0.9
293.31558	0.5
315.04910	11.5
333.06171	0.8
595.28998	88.7
596.29187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17049	0.7
55.01902	0.8
59.01383	19.5
68.52794	0.8
71.01368	7.1
71.63828	0.8
73.02948	8.1
85.02967	3.7
87.00882	1.0
89.02451	1.3
92.10053	1.0
101.02466	5.4
113.02463	4.2
119.71093	1.0
125.02375	1.1
133.02960	3.6
145.32681	0.9
152.99632	2.2
153.02019	1.2
161.02426	2.1
204.00943	1.2
227.16592	4.0
303.19678	8.9
320.84338	1.0
329.17664	1.9
341.98776	1.0
373.26028	8.9
447.23865	1.5
465.24908	10.8
509.24197	4.5
551.25116	100.0
552.25818	3.5
618.58740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87780	1.2
57.03452	27.4
59.01382	56.8
68.95844	1.3
71.01379	14.6
73.02961	1.4
85.02976	2.3
89.02444	18.5
95.01417	2.0
95.16624	1.3
96.95987	5.3
99.04503	26.0
101.02437	15.6
109.02942	39.0
113.02454	8.9
119.03493	7.0
123.04507	1.5
125.02441	7.2
129.24431	1.3
135.00890	1.7
135.06651	2.1
135.16028	1.6
146.10924	1.3
149.02437	1.4
151.03973	2.2
152.01126	10.4
153.01939	94.5
161.04468	1.8
165.01945	1.7
167.03456	7.0
195.03014	37.8
195.04858	2.5
219.59836	1.5
239.04012	1.5
255.05156	24.6
279.10858	46.4
315.07269	100.0
332.46835	1.5
549.98700	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	595.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04260	0.4
50.30989	0.5
50.47451	0.5
50.62252	0.5
57.87396	0.4
59.01388	9.3
71.01386	1.2
74.15018	0.5
85.02987	0.8
93.03460	15.5
93.04017	0.8
101.02426	0.8
113.02471	0.7
119.05018	50.9
125.02462	1.3
132.02180	1.1
133.02960	2.4
134.03773	0.7
135.04526	0.8
145.03069	0.6
148.01665	2.2
151.00534	0.6
167.03505	0.9
172.01653	15.2
190.58711	0.5
200.01158	11.4
208.64276	0.6
212.01187	2.7
213.01985	1.1
214.92506	0.5
227.00015	0.8
228.00558	5.0
229.01585	0.8
254.02368	0.7
254.99409	4.6
256.00146	100.0
257.00797	4.0
269.00818	2.2
270.01767	4.5
271.02499	37.9
282.01648	6.7
283.02310	1.3
285.04105	0.9
297.04056	5.0
303.08548	0.6
343.63104	0.6
375.05203	2.2
376.05927	17.6
391.08273	93.6
392.08649	0.7
445.65265	0.6
517.48828	0.6
535.12451	2.7
582.47406	0.6
595.14441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32478	0.4
54.82161	0.3
59.01390	1.0
67.01890	2.0
71.01382	0.8
73.02954	0.5
80.20824	0.4
83.01380	1.7
85.02976	0.9
92.10198	0.6
95.01385	6.2
104.72514	0.4
108.02191	0.8
109.02952	2.4
110.00101	3.5
111.00881	27.0
121.02976	0.9
122.03742	0.5
123.00893	7.6
125.02416	5.2
131.29112	0.4
132.02147	0.5
133.02954	4.6
134.03723	1.7
135.04495	2.8
136.01639	0.6
137.02449	0.8
137.99536	1.0
138.03220	2.6
138.99298	0.8
139.00368	18.5
139.03989	0.6
140.01163	25.8
141.01935	2.2
145.02910	0.7
147.04559	0.5
148.01598	0.6
149.02455	5.2
149.06137	0.6
150.03230	2.2
151.00381	1.8
151.03976	0.5
153.01939	17.8
154.02660	0.8
155.03510	12.8
159.04539	5.1
161.02470	3.5
164.04855	0.7
171.04462	0.5
173.06076	2.3
174.03238	0.9
175.03981	4.9
177.05510	0.8
183.04553	4.0
185.06078	0.9
186.03282	0.5
187.03998	5.6
189.01849	0.9
199.04065	2.0
201.05606	11.2
202.02788	0.6
203.03511	3.9
205.05092	10.5
209.04556	0.6
211.04071	3.5
212.04686	0.4
213.05626	0.4
214.02791	0.8
217.05125	3.8
225.05151	0.6
227.03543	12.3
228.04268	2.1
229.05092	12.3
230.02202	0.8
231.03044	0.7
238.11288	0.4
240.04300	0.6
241.05020	1.9
242.05676	1.0
243.02998	1.8
243.06432	1.0
244.03694	3.1
245.04575	14.8
253.04851	0.6
255.03000	10.1
256.03799	0.9
259.06107	0.9
260.06912	2.7
271.06091	2.9
273.04077	10.8
275.09097	0.7
275.98801	0.4
288.06430	71.6
289.06747	0.8
301.06729	0.6
303.08777	100.0
304.09027	2.1
312.06433	0.5
314.04425	1.9
315.08896	0.8
316.09286	1.4
317.09283	1.6
327.08817	1.7
328.09128	1.0
329.06210	3.6
329.09964	0.8
359.10004	2.9
387.00436	0.4
399.51312	0.4
507.15189	2.0
587.18164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37391	1.1
59.01382	23.8
59.54047	1.3
60.17347	1.1
61.98846	1.9
64.28328	1.6
74.04872	1.3
74.33150	1.1
78.95893	11.5
85.02946	1.3
152.99521	2.3
157.08662	1.6
179.14490	1.4
195.13925	22.9
242.07916	1.9
277.21805	21.4
295.22794	100.0
312.89188	2.0
321.04654	2.0
520.30487	62.2
588.08655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53300	0.4
53.64877	0.4
59.21101	0.4
61.98833	100.0
63.82307	0.4
70.26799	0.4
78.95885	0.5
79.96462	0.4
141.05365	0.5
239.61497	0.5
307.62729	0.6
373.10922	0.5
410.12827	0.5
472.86673	0.6
490.88437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63958	1.2
52.76473	1.4
52.90139	1.5
54.72556	1.5
57.03450	3.1
58.80170	1.4
59.01380	100.0
61.04332	1.4
66.67812	1.5
71.01370	17.8
73.02950	1.8
73.33520	1.7
76.57892	1.7
83.01364	3.8
85.02961	11.8
86.16573	1.6
89.02454	10.4
92.10163	1.9
95.01337	2.2
97.34368	1.7
99.68424	1.6
101.02431	9.9
108.48460	2.0
109.02944	1.9
113.02454	19.6
121.02920	1.9
125.02414	2.3
133.02959	14.9
134.03758	6.7
135.04520	13.0
135.58598	1.9
137.02432	2.2
161.02432	2.8
177.01888	4.0
177.05550	2.8
178.02679	6.9
179.03513	12.5
183.56322	1.7
220.03781	2.1
221.04504	3.2
280.05902	11.7
281.06342	2.5
340.07928	2.5
345.30139	11.3
377.12311	7.1
436.10385	2.2
468.83749	2.0
489.34335	35.2
507.35745	12.9
510.07410	1.9
549.36591	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	593.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.00554	3.1
71.01388	39.7
73.02943	66.1
75.06738	3.2
83.01395	7.9
89.02440	4.9
101.02441	35.6
113.02443	6.9
123.34557	3.3
129.02979	2.9
131.03502	3.9
140.11182	3.2
161.04561	8.1
184.78653	3.4
344.73114	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	593.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84014	1.2
55.01881	2.0
57.03456	2.5
57.14307	1.3
59.01385	100.0
60.63416	1.4
71.01389	22.5
71.04179	1.3
72.75666	1.5
73.02964	7.7
78.95914	1.8
82.96101	1.3
83.01383	2.8
84.01753	1.4
85.02968	9.8
87.00903	1.9
88.98843	1.7
89.02448	10.3
89.76915	1.4
92.10777	2.1
95.01419	3.5
95.87623	1.5
101.02431	13.3
105.65305	1.5
109.02956	1.7
113.02464	21.9
119.03551	2.4
127.27357	1.6
133.02974	7.3
134.03763	2.1
135.04585	1.9
137.02443	3.7
138.83408	1.5
160.09013	1.5
161.02466	1.7
161.04639	3.1
162.02852	1.5
165.17509	1.5
166.36758	1.5
177.01817	1.5
179.03534	2.9
221.87848	1.5
280.05902	2.1
345.30200	14.7
377.12659	1.7
432.62421	1.5
489.34329	25.2
507.35345	15.0
593.24561	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	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82489	1.7
59.01371	2.3
65.76951	1.4
68.22847	1.6
78.95900	78.2
96.96951	14.5
132.50426	1.8
138.57274	1.7
148.08989	1.5
152.26402	1.7
152.99594	100.0
163.10619	1.5
194.55272	1.7
214.41876	1.8
223.00188	10.6
241.01241	21.9
259.02167	2.2
277.21762	62.3
279.14807	1.8
291.54581	1.8
306.17761	1.9
315.04810	14.5
516.44696	1.8
593.27435	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85609	0.5
59.01384	0.7
59.88865	0.5
61.22773	0.5
61.23955	0.5
66.24956	0.6
78.92073	0.5
78.95901	75.7
80.44147	0.5
85.01699	0.5
88.08185	0.6
96.96958	14.2
121.23602	0.6
129.79630	0.6
150.98015	0.9
152.99597	100.0
154.55942	0.7
171.00620	3.0
211.08998	0.7
223.00143	11.0
241.01218	28.0
259.02258	1.4
277.21744	67.8
278.22052	1.1
315.04877	13.2
593.27435	86.5
594.28027	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2643
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03470	1.6
59.01382	13.7
63.09146	1.4
69.03503	1.6
71.01387	10.9
73.02954	3.8
78.98599	7.9
79.95746	35.8
80.96519	81.5
85.02946	1.8
87.00883	3.4
93.36126	1.6
94.98091	19.5
96.96030	1.9
101.02428	2.5
105.95007	1.7
106.98095	2.4
111.15945	1.5
113.02471	1.4
119.05054	3.0
122.97609	9.2
125.02444	7.7
134.97601	3.9
135.14592	1.8
136.99124	2.5
148.99167	8.5
151.00380	5.9
152.98657	9.4
164.98598	12.9
166.19229	1.6
169.19653	1.9
181.91496	1.7
206.99713	6.3
225.00771	26.4
271.22842	3.3
283.02408	2.5
299.04410	3.3
399.09665	1.9
415.27139	10.3
433.27927	3.2
455.15640	2.5
457.27805	3.2
495.19147	2.3
555.09747	5.5
557.10388	2.1
575.91541	1.9
593.26483	100.0
594.26031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17761	1.0
59.01381	13.3
59.35691	1.1
60.79928	1.2
70.35966	1.1
71.01389	11.7
85.02938	11.2
93.03485	1.8
95.01379	5.5
97.02974	1.7
101.02473	6.3
108.02168	2.6
109.02958	80.5
111.00922	5.1
113.02449	11.1
119.05047	2.3
121.02946	20.3
122.03725	10.8
123.04493	11.4
124.01662	2.8
125.02428	5.7
132.02219	5.7
133.02956	13.6
133.05420	1.5
134.03743	38.0
135.04533	26.0
137.02435	17.0
139.04033	2.9
143.03496	1.8
147.04539	7.4
149.02452	36.6
149.06082	13.1
150.03229	80.0
151.04041	3.3
152.01180	28.0
153.01936	93.0
154.02396	1.6
160.01659	33.2
161.02446	15.8
163.04068	9.0
164.04796	7.1
165.05568	68.8
175.04005	35.3
176.04776	7.1
177.01874	2.5
177.05556	3.1
178.02725	20.1
179.03505	3.2
180.04210	1.7
191.03502	7.1
191.07199	7.8
193.05061	56.1
193.06747	2.7
195.01186	3.2
195.02994	100.0
195.06638	30.1
203.03569	2.7
209.04533	1.8
213.06725	1.4
216.76920	1.6
220.03758	1.5
225.04158	6.9
235.06035	5.2
237.04016	2.2
239.07072	3.2
255.05153	28.0
257.13037	1.5
264.08310	1.3
282.05759	2.4
282.09000	11.2
283.10852	2.3
297.06091	11.4
337.09399	1.9
341.10306	34.7
345.10999	8.6
383.11072	3.0
389.12515	13.5
397.11810	1.8
405.08496	24.4
417.08319	15.9
435.09561	10.8
465.10495	14.0
477.10468	14.7
495.11530	13.4
593.15289	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	593.19
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33273	0.5
56.92944	0.5
59.01378	8.0
62.70983	0.5
71.01391	3.3
71.07903	0.5
72.99337	0.6
83.01376	0.6
85.02973	0.8
85.03533	0.5
87.98649	0.5
89.02448	1.0
92.10799	3.3
101.02446	0.8
108.02130	0.9
109.02962	4.5
113.02464	1.4
118.10030	0.6
121.02970	2.5
125.39062	0.6
133.02950	4.7
135.04527	3.1
145.02971	1.1
147.04546	0.9
148.05319	0.7
152.01184	0.9
153.01941	7.0
161.02449	9.0
162.02698	0.7
174.03210	3.3
179.03554	0.8
191.03535	1.0
191.07214	0.8
192.04240	0.7
195.02969	5.2
203.03484	3.0
205.06622	0.7
207.08128	1.2
221.06076	2.2
222.06955	0.7
223.07715	3.2
229.04994	0.8
233.06088	1.2
235.07680	2.3
237.05669	3.2
238.04654	0.9
239.07193	7.4
248.04753	1.2
249.05646	6.1
250.06398	3.4
251.07156	13.0
255.05119	2.9
261.05545	2.6
262.06351	4.6
263.07138	5.7
264.08057	5.0
265.05023	5.5
265.08511	0.8
266.05795	2.3
267.06644	20.6
277.04990	6.9
278.05786	0.9
278.09283	0.7
279.06662	19.7
279.09766	1.2
280.07483	1.0
281.08261	1.3
282.09012	13.2
289.05051	4.9
290.05847	0.9
292.07404	2.8
293.04578	3.9
293.08151	2.8
294.05365	5.8
294.08994	10.3
295.06079	9.2
297.11380	5.7
304.07370	6.2
305.04575	7.0
307.06006	4.5
308.06979	4.7
309.07745	10.2
310.08542	2.5
311.05630	2.4
320.06848	4.2
321.07791	1.0
322.08481	10.6
323.05612	21.1
323.09265	8.9
324.09894	0.6
326.07953	8.8
335.09457	4.8
335.12762	0.6
337.07187	1.1
338.03976	1.0
338.08011	27.0
341.10361	38.0
353.10358	100.0
354.10529	0.9
354.14450	0.8
365.06641	1.1
371.11447	13.3
380.09146	1.1
383.11377	0.7
395.11398	4.2
417.08453	1.1
477.10559	4.2
503.15756	0.9
515.15308	0.8
533.16815	5.3
575.14166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22332	1.2
54.46524	1.3
59.01383	14.6
71.01379	14.1
72.30243	1.2
72.99322	2.0
73.02940	3.0
75.00868	1.5
83.01387	2.3
85.02943	10.1
87.00901	1.5
93.03461	5.7
95.01379	5.4
101.02457	6.8
109.02213	2.9
109.02955	75.2
111.00893	3.4
113.02433	13.6
117.03445	1.6
119.05038	2.6
121.02936	27.3
122.03754	16.5
123.04520	12.6
124.01639	3.2
125.02450	6.1
132.02161	10.2
132.04536	1.6
133.02966	12.5
134.03738	47.7
134.04713	2.9
135.04515	33.8
136.01706	1.7
137.02448	16.1
139.04019	2.9
143.03505	7.4
147.04520	7.2
148.05396	2.1
149.02432	46.2
149.06088	14.3
150.03232	100.0
151.04022	2.9
152.01141	24.7
153.01945	93.4
154.02258	2.0
159.04449	1.6
160.01649	42.8
161.02423	17.1
163.04036	6.1
164.04753	5.5
165.05566	84.8
167.03427	2.0
175.04012	41.3
176.04782	8.7
177.01962	1.9
177.05559	2.6
178.02740	22.3
179.03516	9.0
180.04262	7.4
181.05128	1.5
184.10747	1.4
191.03560	8.3
191.07112	7.0
193.05063	72.5
194.05408	1.9
195.03001	92.2
195.04950	3.1
195.06650	37.4
203.03539	3.1
209.04558	1.9
221.06226	1.4
225.04025	7.4
235.06055	10.8
237.03821	2.1
239.07153	6.3
250.06334	2.6
255.05139	27.8
267.06711	2.6
281.04446	2.3
282.05350	6.1
282.09015	15.2
283.06021	2.6
283.10861	2.5
297.06274	8.1
311.05658	2.2
315.83786	1.4
341.06534	2.5
341.10349	41.3
345.10876	7.1
383.11218	5.5
389.12497	17.1
405.08304	25.6
417.08197	17.1
431.09732	1.9
435.09283	8.2
465.10437	16.1
477.10587	14.7
495.11411	18.7
577.20831	1.6
593.15289	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	593.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34010	0.7
54.82432	0.9
59.01389	10.7
68.11343	1.0
68.32787	0.9
71.01393	4.5
72.66790	1.0
73.02950	6.2
83.01414	1.9
85.02962	0.9
87.33341	0.9
92.90071	0.9
99.08973	1.0
101.02457	2.4
108.02213	1.3
109.02965	6.1
113.02466	2.1
121.02950	6.5
123.00910	1.0
123.04560	1.3
133.02956	2.2
135.04512	4.3
137.99567	1.0
145.02986	1.3
146.03673	1.6
151.04008	1.5
153.01976	8.7
161.02437	10.6
165.01961	1.8
167.03490	1.3
167.04886	1.1
175.04044	1.0
179.03503	3.9
179.04962	1.3
181.06590	1.4
183.04488	2.0
185.06032	2.3
187.03954	1.3
195.02934	3.9
195.04526	2.3
196.05276	4.5
197.06113	4.0
199.04024	1.2
203.03543	2.0
207.04449	1.5
209.06126	1.7
211.03946	1.9
211.07494	1.6
212.04852	2.1
213.05580	14.0
223.03940	2.2
223.81552	1.0
224.04790	8.4
225.05614	15.8
227.03406	1.3
235.04033	4.1
235.21741	1.2
236.04831	1.2
237.05537	4.8
238.06374	1.6
239.03448	2.0
239.07176	4.8
240.04320	8.0
241.05087	53.7
251.07253	2.0
253.05043	19.8
254.05830	2.3
255.02866	4.6
255.06651	4.0
256.07446	19.2
257.08078	1.4
258.05383	1.1
259.06061	4.3
267.06641	8.7
268.03976	2.7
268.07419	10.0
269.04626	10.5
271.06140	1.8
271.09787	6.0
273.07617	2.1
281.04572	6.4
282.05304	4.2
283.06265	6.7
283.09445	1.4
284.03696	1.1
284.06891	4.5
285.04105	6.1
295.06250	2.0
296.06873	10.8
297.04053	38.7
297.07468	3.0
299.05646	6.5
300.06415	27.2
311.05618	11.7
312.06430	25.5
313.06467	1.3
314.07968	5.2
315.08768	78.7
326.08069	1.9
327.05502	4.3
327.08765	100.0
329.10297	5.5
338.08112	5.6
339.05090	6.7
341.09869	1.2
342.07397	2.3
345.09738	23.0
354.07495	5.9
357.09879	14.2
357.13626	2.0
369.05539	1.7
369.09839	30.0
387.11011	5.3
417.08081	1.3
430.71512	1.3
455.84802	1.1
477.10376	4.4
534.57056	1.3
534.64789	1.1
549.16406	2.3
575.14001	3.8
593.15137	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	593.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24356	0.8
57.03463	4.0
59.01389	2.3
60.06293	0.8
63.59123	0.9
65.48013	0.9
70.19926	0.9
71.01390	2.2
72.99282	1.2
74.03722	0.8
75.00880	5.1
85.02967	2.2
87.00879	1.3
93.03465	8.2
94.08595	1.0
101.02480	1.4
105.01940	7.0
109.02948	4.9
111.00895	1.6
111.36237	1.2
117.03452	11.6
119.04989	11.7
120.87370	1.0
121.02939	3.7
123.04505	2.2
125.02443	11.0
129.01930	5.1
133.02933	1.5
135.04523	10.3
136.01718	0.9
137.02429	2.2
145.02959	1.3
147.02953	8.5
149.02434	4.5
151.04015	1.8
152.01001	1.0
152.49112	1.1
153.01915	4.1
157.09979	1.1
159.04524	2.0
161.02469	8.7
163.00371	1.9
163.04021	11.2
165.01941	1.5
167.03612	1.3
175.03981	1.3
177.01974	1.3
179.03497	7.5
191.03526	1.7
195.03096	2.2
195.05089	8.6
203.03442	1.2
211.07634	5.1
223.07851	1.5
225.05600	1.8
227.07239	1.1
239.03506	1.2
239.07260	1.3
239.10767	1.6
253.04976	2.3
265.08725	2.1
268.03754	4.3
269.04456	5.7
281.04568	15.7
282.05377	53.1
283.06131	54.0
289.07303	1.3
293.04626	4.1
295.05988	2.1
311.05667	100.0
312.06149	1.3
314.04318	2.2
323.05658	3.9
327.08810	8.2
341.06775	8.3
353.06723	1.7
431.09894	49.4
451.26373	1.1
473.10916	20.4
505.13507	1.8
593.15295	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01927	0.7
53.42505	0.8
63.57756	0.8
65.00344	0.8
83.01407	0.9
91.01879	0.8
91.30602	0.8
93.03440	1.1
104.22642	1.0
107.01403	3.7
109.02968	13.5
121.06558	0.8
132.02164	1.6
133.02951	11.4
135.00877	3.2
135.04539	10.4
143.05104	0.9
149.06050	1.5
151.00397	4.2
151.03972	0.9
152.01186	4.7
153.01961	22.1
159.04541	1.8
161.01266	1.5
161.02469	24.6
163.00372	3.8
173.45850	0.8
175.04028	2.0
177.05595	1.8
179.03534	5.0
183.04451	1.4
185.06053	3.5
187.03993	4.1
189.05614	1.4
195.02998	18.6
197.82162	0.9
202.07201	0.9
203.03532	9.7
211.04051	4.8
213.05577	1.1
225.04117	1.2
227.01259	1.6
227.03529	48.0
229.05064	17.3
239.03539	1.8
241.04950	1.7
255.02986	75.3
255.05125	5.5
256.03809	7.2
257.04645	9.4
284.03311	83.7
285.04086	100.0
309.88995	1.0
327.05231	1.1
417.08081	9.2
477.10486	17.6
547.15021	1.1
549.93921	0.9
565.65021	1.0
575.14075	8.6
593.15289	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
77.03951	0.3
91.01867	0.2
92.10115	0.4
120.02158	0.7
121.02951	100.0
136.01613	0.3
165.01939	3.5
176.43184	0.2
180.05830	0.7
181.06601	2.8
197.06110	2.1
199.07603	0.2
207.04462	0.7
207.08139	0.4
209.04575	30.5
223.04016	0.2
225.05562	1.7
251.07123	0.2
257.09720	0.7
285.09253	0.2
301.08640	0.3
308.24438	0.2
313.07211	2.1
329.08157	0.2
337.42798	0.2
357.06113	0.2
373.10904	0.2
383.07629	0.9
417.09750	0.9
478.37555	0.2
505.11288	1.9
549.10376	4.7
593.13092	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	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76222	0.9
57.50618	1.2
59.01402	8.4
61.83617	1.0
61.88549	1.2
66.49148	1.2
71.01386	9.5
73.02961	1.9
74.61981	1.2
82.83476	1.2
85.02972	1.5
101.02461	2.6
108.02206	2.2
109.02963	73.7
111.00900	10.4
113.02489	2.7
122.27991	1.3
123.04578	1.7
124.07687	2.4
132.04546	13.5
133.02974	23.2
133.05356	9.9
134.03731	2.0
134.06137	5.4
135.04526	37.0
137.02438	48.2
147.04570	2.5
148.05351	2.1
149.02463	2.2
149.06071	6.9
150.05536	1.4
151.03978	2.5
152.01140	22.6
153.01953	100.0
161.02452	62.9
163.04034	1.5
165.04276	8.6
175.04018	10.2
176.07158	1.8
177.05609	6.5
179.03517	13.1
195.03011	90.1
201.05746	1.5
203.03532	28.9
209.03366	1.9
215.11884	2.1
225.04117	10.8
233.04645	1.4
241.09831	2.5
255.05138	44.9
257.13068	7.6
279.05191	1.3
283.10809	4.9
297.06213	18.0
299.09222	1.7
301.12094	1.8
327.09412	1.6
327.12735	1.8
345.10980	25.2
369.88190	1.2
405.08658	1.5
413.63718	1.7
417.08246	23.4
435.09296	15.9
477.10498	36.5
487.40201	1.6
495.11441	20.3
549.17084	9.2
557.86340	1.6
575.14337	2.7
593.15698	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08970	1.3
51.18447	1.3
57.03456	13.7
59.01385	46.1
59.53694	1.6
65.00339	8.0
68.45813	1.3
68.97571	1.4
69.03445	1.4
71.01385	12.5
73.02940	2.8
78.95930	1.5
81.03488	6.7
82.03501	1.5
83.01392	25.1
85.02963	7.2
89.02444	2.3
93.03450	2.6
101.02470	6.3
107.01416	11.3
109.02927	2.6
113.02473	3.1
119.05019	40.1
123.04527	41.0
125.01499	2.8
125.02439	83.7
133.02950	14.0
134.03734	3.9
135.04539	6.5
137.02425	3.7
143.05034	2.6
145.02908	2.6
148.38637	1.5
151.00391	23.1
161.02466	3.4
161.04597	2.4
163.03999	2.2
167.03497	100.0
173.02448	5.9
175.03954	8.2
177.01915	9.0
177.05623	2.8
178.02686	3.2
179.03465	6.7
180.20650	1.7
185.02429	1.9
187.03937	2.8
193.98987	1.6
197.02538	1.7
198.03180	2.4
199.04042	10.2
201.01981	12.9
213.01915	3.6
213.05650	2.3
217.04976	2.0
220.03792	2.1
221.04517	2.8
223.03871	3.0
239.03470	9.6
241.05125	3.1
243.02992	13.0
256.00082	7.8
267.02966	29.1
267.52924	1.8
269.00964	35.0
280.05862	9.2
283.02490	2.4
285.03986	13.3
311.02039	46.3
311.05435	2.4
376.05957	7.9
377.12399	3.6
379.07477	2.0
387.08752	9.4
389.06671	39.2
405.09863	11.1
431.07712	12.6
488.32947	2.9
489.34271	7.7
507.35736	3.0
557.10858	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	593.1307
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
56.81544	1.4
57.03455	10.9
59.01385	3.4
69.52816	1.3
71.01414	1.7
71.69514	1.5
74.02003	1.6
74.03838	1.6
75.00859	2.1
75.54630	1.5
79.07777	1.5
81.03483	2.0
83.01383	1.9
85.02969	1.8
85.14433	1.6
87.00910	2.4
92.10151	1.9
93.03480	6.4
96.95995	3.4
97.02985	1.9
105.01962	12.3
109.02960	21.1
111.04506	3.1
112.88030	1.5
113.02496	2.2
119.05029	2.3
121.02946	2.9
123.00883	4.2
123.04494	2.9
125.02458	100.0
133.02904	5.7
135.04495	7.3
137.02448	32.1
139.04019	11.3
139.66492	1.6
149.02509	3.5
151.03992	7.6
153.01920	10.0
159.04562	2.0
161.02496	18.0
162.03221	1.6
163.04047	6.3
164.01181	3.9
165.01912	15.2
167.03488	13.4
175.02667	1.7
175.04027	11.5
177.01930	16.8
177.05573	4.0
179.03517	10.1
187.04037	3.3
195.05072	3.8
203.03592	2.4
211.07741	2.4
211.43387	1.6
219.06659	9.5
221.04587	2.9
227.03426	2.9
243.02931	6.3
245.04539	2.7
255.02983	14.0
256.03845	2.2
261.07727	2.7
283.02542	6.6
287.05640	2.8
289.07257	2.6
305.06750	42.8
323.05475	3.5
423.07330	32.3
467.09805	6.9
593.13885	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	592.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01194	0.8
53.75879	0.7
59.01398	1.0
61.98834	100.0
68.25558	0.7
68.31767	1.0
68.85297	0.8
69.35683	0.8
71.03507	0.9
75.77303	0.9
95.18563	0.8
200.18309	0.9
231.62961	1.2
279.05118	0.8
294.21582	1.7
296.22006	1.0
411.76065	1.2
534.78790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.2
60.93307	1.5
61.98837	58.4
63.38692	1.6
65.00324	2.5
73.02962	1.9
74.30846	1.4
75.00865	2.7
76.04765	1.8
76.57621	1.5
78.95924	9.1
81.03442	2.2
85.02946	2.1
85.45141	1.9
91.29033	1.7
109.02962	12.7
113.02426	3.1
123.04542	2.6
133.02859	7.5
135.04526	73.5
149.99597	3.1
153.01903	13.3
157.08733	16.8
161.02409	20.3
174.03224	2.5
178.48553	1.8
185.11841	14.2
185.92841	2.3
195.03030	2.5
225.01991	2.1
239.07039	2.8
241.04991	2.8
243.03000	7.5
255.06883	2.9
256.00180	9.3
264.30579	1.9
269.00977	16.2
270.01685	2.3
279.06616	2.2
281.08334	2.7
283.06201	23.1
307.06073	11.1
325.07193	13.8
343.21274	11.7
344.21634	12.0
354.37253	2.1
393.06146	32.6
405.06183	9.1
529.11438	100.0
530.11261	3.3
548.28662	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	591.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.5
57.03462	1.5
58.00590	1.4
59.01384	100.0
61.98843	2.5
68.65519	1.0
71.01387	28.4
72.87312	1.5
72.99366	1.1
73.02955	11.8
75.00851	1.7
78.43501	1.0
78.95943	1.3
83.01389	2.2
85.02967	14.2
87.00864	2.8
88.18419	1.4
88.80193	1.2
89.02433	10.1
92.10032	2.0
95.01408	2.5
99.00901	2.6
101.02451	14.8
105.01941	1.4
109.02972	4.9
113.02448	20.3
114.67609	1.4
119.03532	1.9
119.05045	1.5
125.02453	1.8
128.99382	1.2
133.02979	4.7
134.03751	2.0
135.04524	2.9
137.02409	2.7
143.03561	1.7
153.01991	1.6
159.90666	1.4
161.02444	6.5
161.04578	5.0
161.05902	1.4
177.34686	1.2
178.02681	2.0
179.03442	1.4
193.32816	1.2
195.05080	5.0
204.04462	1.3
212.81577	1.4
283.02554	1.6
283.18561	1.3
299.13199	1.4
325.27625	1.4
395.14932	1.8
447.19882	1.3
487.32794	28.7
505.34180	9.4
547.35449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36344	0.5
53.79436	0.6
55.01896	2.9
57.03465	2.6
59.01390	100.0
69.03460	0.9
71.01398	14.7
73.02962	5.2
75.00880	0.7
77.35029	0.6
83.01389	6.5
85.02964	11.8
86.00145	0.7
89.02448	1.0
93.03493	0.7
93.07113	3.8
95.01398	1.6
99.00887	2.7
101.02448	12.8
109.02934	1.2
111.00878	1.3
113.02460	8.6
125.02461	0.8
129.01927	2.9
133.02992	1.2
134.03708	0.8
135.04523	2.5
136.07700	0.7
137.02501	0.8
143.03477	1.2
151.00418	0.8
151.91357	0.7
153.01913	0.9
159.02925	1.0
161.02483	1.6
161.04555	3.9
179.03494	0.8
189.08815	0.7
195.05084	1.6
213.18588	3.5
214.38538	0.6
229.12230	0.9
239.11867	2.8
257.15408	0.7
343.28879	1.2
357.23001	3.2
375.24042	7.1
476.09644	0.8
487.32825	41.6
505.33942	20.0
547.34851	2.8
555.09491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
66.93501	0.5
69.75963	0.5
71.01060	0.6
71.01363	4.4
73.02960	2.7
76.70042	0.6
83.01436	0.9
85.02974	2.9
89.02475	0.6
91.01927	0.7
93.03470	2.9
95.01372	1.1
101.02462	4.2
108.02200	4.1
109.02950	76.6
111.00898	4.2
113.02467	3.5
117.03465	12.1
119.05015	19.1
121.02960	2.6
123.00838	1.2
123.04527	3.9
124.01673	2.8
125.02481	0.8
130.04195	0.7
130.98216	0.6
131.05019	2.9
133.02928	4.2
133.06586	2.5
133.99881	0.7
135.04512	3.4
139.00476	0.7
139.04021	1.6
145.02959	41.0
147.04459	1.1
149.02409	2.4
149.06201	0.8
151.00389	1.5
151.04008	3.2
152.01166	23.9
153.01938	100.0
155.18097	0.6
155.90057	0.6
157.06567	0.6
158.03719	1.2
159.04517	14.5
161.02403	6.8
161.06116	2.5
163.03976	11.7
165.01964	0.9
167.03455	0.9
177.05536	4.8
179.03508	1.5
187.03992	39.3
191.03421	2.3
195.02989	85.3
207.03165	0.8
225.04053	6.9
229.05086	4.9
237.04108	3.2
255.05118	38.0
267.06760	0.8
297.06027	4.7
310.08350	0.7
325.10455	0.8
383.07803	6.2
401.08807	89.8
443.09982	1.5
443.46304	0.7
461.10938	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	591.295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67141	56.9
84.05428	60.4
93.39613	54.9
151.25699	64.4
151.83722	60.1
161.02371	100.0
195.50200	56.6
209.17497	54.9
247.94008	57.9
249.83978	58.8
303.53094	57.1
444.26230	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76523	0.4
54.68314	0.5
59.01394	1.1
77.03972	0.6
81.03439	0.8
81.57748	0.5
83.01399	0.7
84.27168	0.5
92.10793	0.7
93.03490	0.6
97.02925	0.7
105.03406	0.8
107.01400	0.6
109.02962	6.3
113.02470	1.0
119.05035	2.1
120.57938	0.5
121.02963	3.2
125.02457	2.8
132.02174	0.5
133.02954	19.2
135.04510	3.4
137.02458	1.2
147.04568	1.2
149.02377	1.3
151.00359	0.7
151.03984	0.6
152.01180	1.0
153.01978	4.7
161.02420	3.2
163.00351	3.2
163.04021	5.1
165.01941	2.9
173.02496	0.7
175.03978	3.9
177.02032	0.6
189.02002	0.9
191.03496	2.3
193.01427	2.4
195.03012	2.9
199.04059	2.2
201.02020	1.0
203.03577	0.9
213.05502	1.2
221.77524	0.5
225.05705	0.6
227.03532	0.7
241.05077	1.0
253.05081	1.0
255.05200	1.0
257.04321	0.8
269.04709	1.1
279.02975	1.0
284.03299	13.4
285.04019	8.7
295.06143	0.7
297.04034	17.4
298.04840	10.7
299.05603	26.5
309.03946	0.7
311.05731	4.1
325.03571	0.9
327.05136	100.0
328.05490	1.2
339.05319	4.7
357.06213	28.6
369.06186	1.2
416.90253	0.6
424.05679	0.6
447.09384	60.3
448.09894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70373	0.7
52.71574	0.6
54.73140	0.7
55.01889	0.7
57.73174	0.6
59.01389	5.6
66.03517	0.7
71.01044	0.6
71.01387	4.7
73.02956	0.6
81.03486	0.7
83.01385	1.0
85.10387	0.7
91.01924	0.8
93.03387	1.2
95.01357	1.0
101.02430	4.2
108.02187	4.0
109.02951	75.6
111.00887	4.7
112.02286	0.8
113.02473	3.0
117.03445	10.8
119.05022	19.5
121.02961	1.8
123.00832	1.4
123.04515	3.8
124.01661	4.1
125.02385	1.0
130.83350	0.7
131.05016	1.7
133.02991	3.2
133.06599	2.9
135.00916	0.7
135.04526	0.9
139.00368	0.9
139.03958	1.0
145.02956	49.4
147.04515	1.2
149.02443	3.2
149.06126	1.0
151.00395	1.1
151.04015	4.5
152.01149	28.3
153.01944	100.0
158.03720	2.7
159.04514	13.8
161.02415	3.8
161.06042	4.1
163.03995	12.0
165.01953	1.5
167.03458	0.8
177.05540	4.5
179.03482	1.2
187.04016	39.0
191.03514	1.7
195.02997	91.0
201.05595	1.4
205.05054	1.4
207.03026	1.1
224.65993	0.7
225.04048	5.2
229.05081	4.8
237.04076	4.0
255.05127	39.7
297.06015	5.8
325.09198	0.8
328.15384	0.7
330.91080	0.7
383.07510	8.2
401.08826	90.1
443.10239	1.1
461.10916	14.8
472.93744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62211	1.3
54.82177	1.5
56.50989	1.3
59.01384	8.0
71.01394	1.7
72.99316	6.5
75.00892	7.4
75.60195	2.2
76.17693	1.5
81.69427	1.6
82.21805	1.7
87.00851	19.2
92.10162	2.8
93.03460	2.8
96.96002	25.7
99.00855	2.1
103.00375	3.3
106.34315	1.8
112.98835	3.2
115.49812	1.6
119.05016	90.9
129.01999	2.3
132.99594	2.1
133.47397	1.8
135.04565	10.5
138.86003	1.9
149.00929	71.4
152.91751	4.0
161.70236	1.6
163.04013	100.0
179.03462	6.4
195.05124	16.4
201.73405	1.7
232.88380	2.8
239.31232	1.7
260.62466	1.6
295.04575	15.4
299.89447	2.0
351.04556	2.0
400.23126	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	591.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	8.0
70.14902	3.9
71.01389	10.5
77.74908	3.9
83.01406	19.5
84.44899	4.3
87.00894	20.6
92.10229	6.1
95.51058	4.6
96.96020	22.0
106.95412	4.9
109.02969	24.5
111.00912	26.7
115.00381	41.5
119.05042	4.8
123.04509	8.8
125.02445	8.8
135.04556	9.0
137.02487	5.5
139.00345	34.0
147.12546	5.2
149.02451	9.4
156.00655	10.8
157.01431	26.1
161.02440	6.8
163.03987	7.1
174.01639	16.7
175.02583	38.3
175.03903	7.7
177.01935	19.8
191.03539	19.4
193.05054	69.3
205.01477	7.4
205.05244	6.7
206.02217	9.1
207.06670	25.8
221.04289	4.8
233.04553	26.8
234.05363	22.0
239.05342	5.6
251.05653	6.5
275.05649	5.8
289.07346	22.7
307.08316	100.0
315.99753	4.6
325.33594	4.4
361.81299	4.6
401.75864	4.9
444.99786	6.2
449.26193	5.2
469.13733	49.3
471.11792	10.9
513.12439	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01380	11.1
63.02407	1.3
65.00328	9.9
71.01389	4.0
72.69150	0.5
73.01476	0.5
73.02940	1.1
75.00875	0.9
76.49491	0.5
78.95915	1.0
83.01410	4.9
85.02948	2.8
89.02435	0.9
93.03426	5.3
101.02435	0.8
102.21719	0.5
104.08675	0.5
107.01393	16.2
109.02966	1.0
113.02452	0.8
119.05022	38.4
120.05355	0.5
125.02417	5.3
133.02957	3.8
134.03723	3.1
135.04523	9.4
143.05013	0.8
145.03009	2.2
147.04588	0.8
149.02460	0.6
151.00380	48.4
153.01965	2.6
161.02478	4.3
165.01880	0.6
169.01427	0.9
169.02811	0.7
170.41939	0.7
171.04504	3.1
173.02429	1.4
177.02051	0.7
178.02661	0.7
179.03467	2.9
179.05463	0.6
183.04500	2.6
187.04047	3.9
193.01424	1.4
195.02946	1.0
195.04698	0.9
211.04070	4.6
213.05611	1.0
215.03487	3.1
217.69867	0.6
224.04857	0.6
227.03549	5.8
239.03511	8.5
241.01521	0.7
241.05077	0.7
255.03040	5.3
256.03745	0.7
257.04608	7.6
268.00180	6.8
269.04535	3.6
269.17502	0.8
281.04413	1.2
282.01651	0.7
283.02512	77.5
284.02789	0.8
297.04102	8.2
301.03662	0.9
309.00381	3.0
309.04031	5.9
321.04248	0.8
323.05484	3.9
325.03571	16.6
341.06650	0.9
347.05875	0.8
349.03568	3.2
365.06622	2.0
367.04593	5.8
369.18066	1.0
369.22827	13.3
391.04745	2.3
403.08243	38.5
409.05536	1.0
429.06033	3.8
459.07953	0.6
465.21408	0.9
487.32953	2.8
555.09381	100.0
556.09210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28051	8.8
58.63457	8.7
59.01391	55.4
74.30793	9.1
76.84961	10.2
115.82362	11.5
151.87512	11.0
171.10229	63.4
187.50996	11.1
253.09280	54.6
266.08667	11.9
275.20206	88.5
293.21249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97448	3.3
59.01402	21.2
59.23434	3.2
61.98836	4.9
68.54085	3.4
71.01380	16.2
76.08098	3.5
78.67010	3.8
78.95889	5.5
79.80775	3.4
117.99498	4.0
129.77370	4.0
153.79509	4.1
192.11520	4.3
220.14680	37.4
221.15407	100.0
222.15817	71.2
223.16168	8.5
236.10500	48.4
237.10843	34.0
238.11076	6.7
255.73439	4.6
293.17673	27.1
293.20789	7.7
294.17987	37.0
295.18121	8.9
341.27020	19.5
356.27185	4.7
424.68527	4.9
589.28088	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	589.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12622	0.2
59.01375	2.1
70.23650	0.2
71.01386	1.2
73.02933	2.8
73.61530	0.2
82.95428	0.2
83.01407	1.0
85.02949	0.2
87.88076	0.2
89.03967	0.2
96.96019	1.5
98.95612	0.4
101.02443	1.6
109.02950	1.0
113.02456	0.3
117.03466	0.3
119.05074	0.4
121.06652	0.2
132.02187	1.1
133.02962	26.0
134.03731	1.0
135.04532	16.1
136.04735	0.2
137.02444	0.3
147.04535	0.3
148.05315	0.3
149.06105	2.3
161.02458	100.0
162.02805	1.0
163.04033	0.4
175.03972	1.6
177.05591	3.1
179.03516	17.0
203.03546	3.9
221.04555	2.0
323.07797	0.3
341.08655	0.4
383.09903	34.3
384.10355	0.5
408.94745	0.2
545.15424	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	89.9
59.01383	67.2
59.12199	0.6
71.01397	4.0
81.63077	0.6
85.02915	0.9
89.02451	3.0
92.10800	0.9
96.96016	5.1
99.04514	100.0
101.02431	17.1
116.79099	0.7
121.05078	9.2
125.02443	17.2
128.22878	0.7
128.35968	0.7
143.03491	2.8
149.53461	0.7
150.16399	0.7
161.04558	2.6
163.06157	6.8
203.09259	4.4
265.09299	73.2
266.09830	0.8
293.03250	1.1
602.02502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87682	66.3
59.01412	86.5
70.73544	66.3
78.95929	71.4
87.78896	85.8
97.62646	81.7
108.88155	71.5
182.68748	78.7
209.82132	87.8
226.93875	84.8
271.13892	74.9
324.22183	83.8
360.52768	95.0
403.28851	89.0
405.87454	76.3
550.10651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32740	0.4
55.76280	0.3
59.01393	2.2
71.01405	0.7
73.02953	2.5
92.10127	0.5
96.96033	1.5
101.02432	1.0
105.03485	0.4
109.02945	1.5
131.07074	0.4
132.02257	0.5
133.02957	22.1
134.03737	0.7
135.04526	15.0
137.02486	0.5
149.06068	1.8
161.02454	100.0
162.02777	0.8
175.04005	1.8
177.05537	3.4
179.03503	14.6
199.63368	0.4
203.03490	3.9
221.04597	2.2
223.35188	0.4
225.48227	0.4
328.58658	0.5
341.08704	0.4
383.09891	33.1
384.09857	0.6
519.64191	0.4
542.19037	0.4
545.15503	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	589.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.7
61.98831	4.1
64.05544	1.1
68.04059	0.8
71.01390	1.2
73.02949	1.1
83.01408	1.0
86.38221	0.9
89.92168	0.9
90.05212	0.8
96.96021	4.1
105.03452	1.0
109.02956	2.3
116.92860	9.3
119.05103	1.0
121.48242	1.0
125.02470	1.9
133.02962	17.9
134.03725	1.9
135.04526	100.0
149.06056	1.2
151.04091	1.2
151.35509	1.0
153.01955	1.9
160.01614	1.3
161.02446	74.0
163.26550	1.1
171.31444	0.8
177.05611	1.3
178.67299	0.9
179.03503	85.3
191.05579	1.1
195.02917	1.0
203.03464	1.5
208.74532	0.9
341.08820	27.9
383.09900	20.3
545.15228	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	589.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82311	0.3
55.01876	0.6
57.03467	0.3
59.01375	3.4
71.01385	2.1
73.02962	0.5
81.03445	0.6
83.01402	0.7
85.02942	4.8
89.02489	0.5
91.71768	0.4
92.10031	0.9
99.00926	0.5
99.04526	0.6
101.02427	7.0
101.96492	0.4
105.03481	0.8
107.01383	0.8
108.02179	0.7
109.02956	17.8
111.00870	2.7
113.02466	0.7
117.03453	0.9
120.42484	0.4
123.00906	0.8
123.04517	0.8
124.01647	0.5
125.02425	0.5
129.01933	21.4
130.41521	0.4
132.02174	3.4
133.02954	47.6
134.03717	0.4
135.04515	9.8
144.76538	0.4
149.86856	0.4
151.00401	2.4
152.01134	4.4
153.01939	21.4
159.04524	0.9
161.02448	100.0
163.04053	0.5
165.01869	0.5
165.05827	0.4
175.04027	0.9
177.04121	0.8
177.05573	3.5
179.03511	4.1
194.02296	0.8
195.02992	13.2
195.04666	0.8
203.03519	3.4
221.04680	1.3
225.04109	0.8
254.04329	0.9
255.05029	5.0
263.05634	1.8
297.06216	2.2
323.07739	1.5
338.88132	0.4
351.51236	0.4
383.09897	1.7
385.08301	0.4
409.11264	0.4
417.08243	3.1
427.09030	0.8
453.10342	3.8
459.09201	4.8
475.08746	0.7
477.10526	4.9
545.12988	5.8
555.50958	0.4
589.12115	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70651	0.5
59.01385	1.5
61.21363	0.5
71.01396	1.2
83.01376	1.1
85.02962	4.9
89.02487	0.7
96.96033	1.0
101.02460	3.9
109.02959	21.2
111.00909	3.4
117.03454	0.6
120.48402	0.7
121.02912	0.7
121.49339	0.6
123.00819	0.6
123.04501	0.9
124.01679	0.8
129.01945	12.6
132.02159	2.7
133.02960	49.2
134.03688	1.0
135.04524	25.2
151.00374	2.4
152.01131	4.4
153.01947	26.7
159.04550	0.8
161.02452	100.0
162.02919	0.9
174.02979	0.6
175.03964	1.3
177.04185	0.7
177.05544	4.5
179.03497	11.4
194.02272	0.9
195.03001	12.6
196.83414	0.7
203.03477	5.8
203.07249	1.0
204.03960	0.7
221.04594	1.0
241.04987	0.8
255.05074	4.4
263.05716	1.1
279.05051	0.6
279.25458	0.7
297.06262	1.0
323.07584	1.3
343.43478	0.8
406.22421	0.7
409.11417	2.8
417.08301	5.8
453.10489	3.9
459.09451	2.5
477.10406	6.4
545.13269	7.5
589.12061	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82982	0.4
55.01897	0.3
59.01392	12.3
63.00844	0.3
65.04827	0.3
71.01378	4.2
72.99342	0.3
73.02969	0.4
77.60111	0.3
78.95920	0.4
83.01408	0.5
85.02956	1.3
87.41945	0.3
89.02444	3.5
96.96019	0.4
101.02464	3.5
113.02472	2.2
119.03498	1.5
124.11580	0.3
125.02379	0.4
148.08891	0.7
150.10478	0.3
152.99635	0.7
161.04564	1.3
163.11302	0.7
165.12846	17.0
209.11807	0.4
237.95261	0.3
247.18396	0.6
247.20694	10.5
253.06606	0.5
253.09293	11.9
269.12543	0.5
273.18631	5.7
291.19678	100.0
292.19986	1.7
339.25293	0.7
365.04413	0.3
569.78003	0.4
587.28235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35609	0.3
54.78276	0.3
59.01390	2.2
60.86730	0.3
73.02958	0.4
92.20871	0.3
93.03423	0.4
96.96018	0.8
99.92577	8.6
114.12099	0.3
115.87722	0.3
116.92858	100.0
117.92844	1.5
119.05074	0.4
126.82378	0.3
133.02937	1.5
135.04523	0.8
140.43216	0.4
150.35394	0.4
161.02463	3.1
191.05605	1.5
209.95381	0.4
213.82433	0.3
341.08859	0.7
391.13995	0.5
439.12567	0.8
460.06921	0.3
470.28525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12546	1.8
50.49015	1.8
54.08371	1.9
55.01901	9.2
55.47111	2.2
57.03471	4.0
58.00622	2.4
59.01392	100.0
71.01388	83.2
71.05029	4.3
72.99345	2.5
73.02959	23.7
78.95910	2.4
83.01416	12.5
85.02944	45.0
87.00897	4.4
89.02445	33.4
95.01398	4.4
96.96004	19.9
97.02946	3.0
99.00912	5.5
101.02448	57.7
113.02471	36.4
115.04002	44.6
119.03491	13.2
119.05003	19.9
123.04577	2.5
128.81197	2.2
129.05579	15.1
131.10007	2.3
139.04068	3.2
141.78813	2.5
147.06581	3.4
149.00946	4.4
155.43437	2.4
161.04573	19.5
163.04041	24.3
233.10304	12.9
274.51468	2.7
277.09293	86.7
295.04507	3.4
295.10373	3.1
307.10309	10.4
309.11951	91.9
338.54706	2.4
349.88788	2.5
351.09424	2.2
355.12125	2.3
432.59702	2.2
460.20901	2.3
589.97040	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	587.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03458	4.5
58.00593	1.1
59.01382	73.6
64.00471	0.5
67.51054	0.6
69.03486	0.5
71.01378	30.8
71.05033	1.0
72.28800	0.5
72.99319	2.4
73.02951	1.0
78.28903	0.5
81.03463	3.9
83.01405	3.9
85.02949	20.3
85.03457	0.7
87.00885	5.9
89.02440	37.4
95.01386	3.9
97.02942	1.2
99.04524	7.7
101.02435	25.2
101.03087	0.9
111.00880	7.4
112.98807	3.6
112.99504	0.5
113.02448	12.5
115.03987	5.2
119.03509	15.8
119.05010	31.0
125.02409	0.7
127.04005	3.0
129.01921	14.2
131.03496	0.7
133.05115	1.2
139.03972	0.7
147.07161	0.5
149.00923	2.2
151.06117	0.9
161.04579	1.2
163.04012	38.7
165.67336	0.6
193.07242	0.7
216.08324	0.6
257.95959	0.6
276.63699	0.6
291.07211	12.0
293.08627	0.9
295.04663	8.1
295.10358	100.0
504.16312	0.7
598.83875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52788	0.2
57.01638	0.3
59.01385	2.2
60.51217	0.3
60.90600	0.3
65.10197	0.3
71.01384	1.5
75.00865	0.4
78.95896	2.4
79.95737	2.0
83.01395	0.4
85.02949	0.4
87.00880	0.4
89.02430	0.6
96.96008	100.0
96.96889	3.4
98.95580	1.2
101.02460	0.4
109.02907	0.5
113.02440	0.6
116.92841	0.4
119.05011	2.6
131.07106	0.7
133.02960	0.8
135.03030	0.6
135.04485	2.3
137.02411	0.7
149.06081	0.7
161.02464	2.8
163.03993	2.1
179.03528	0.5
191.07141	0.4
222.17732	0.4
293.12387	3.3
307.36935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57266	0.2
58.02974	0.5
59.01385	10.4
67.37334	0.3
71.01385	3.7
73.02954	3.5
75.00879	0.7
75.72321	0.3
80.32731	0.2
83.01377	0.5
85.02960	1.6
85.42269	0.3
87.42805	0.2
89.02451	1.6
99.00880	0.3
101.02437	2.3
109.02969	0.5
113.02463	1.5
119.05028	0.6
125.02425	0.6
128.10834	2.7
129.01918	0.6
130.08734	100.0
131.09065	0.4
151.00365	0.3
153.01932	0.5
154.08693	0.3
161.02461	0.3
167.03528	0.4
172.09816	2.9
195.05122	1.4
320.18695	0.3
328.16232	0.4
500.25406	1.3
542.26141	50.8
543.26453	1.4
568.21564	0.4
586.22632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85455	1.4
55.13161	1.7
57.03457	3.5
59.01384	17.6
61.98841	4.1
65.00352	8.3
68.99816	2.1
71.01400	4.0
75.00894	1.9
78.95907	3.6
82.91139	1.7
83.01408	8.4
85.02954	8.0
87.00890	3.5
92.10207	2.6
93.03468	7.3
95.05001	2.1
101.02455	4.7
105.01968	1.8
105.03478	2.1
107.01405	15.2
109.02960	8.2
113.02470	2.7
119.05025	51.1
123.04520	3.6
125.02436	10.8
125.93977	1.9
129.01952	13.3
131.01411	2.5
132.02190	2.6
133.02936	29.1
134.03738	8.5
135.04518	9.9
137.02455	7.4
145.02954	2.8
147.04521	4.7
149.02440	10.6
151.00389	38.5
152.99585	2.4
159.00870	3.9
160.01653	4.4
161.02449	9.2
163.00409	2.6
175.04022	2.6
177.01930	13.0
178.02794	3.8
178.99883	14.3
179.03471	4.2
185.02441	3.4
187.03987	2.7
191.03482	11.0
193.01413	11.5
195.04968	2.0
199.28116	2.0
202.99916	26.6
209.11929	2.5
211.13467	2.6
215.03391	2.1
219.03021	100.0
225.05571	2.5
227.03445	7.6
229.01526	3.5
239.91090	1.9
241.05072	2.5
256.00281	2.7
269.00897	11.4
269.04523	4.4
283.06128	3.5
311.05667	3.2
323.05661	56.9
335.01755	1.9
335.05710	2.9
340.07986	2.4
345.16611	2.3
376.66306	2.1
379.04575	18.2
389.06604	8.7
417.74222	2.4
452.09531	2.9
499.10507	37.0
541.07648	4.1
543.09583	3.4
549.15979	2.7
569.07135	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	585.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93332	2.1
56.99893	2.3
61.31119	2.5
64.34225	2.7
71.37856	2.4
71.79539	2.5
78.75814	2.4
80.03403	2.8
96.22692	2.4
128.42482	2.5
176.50917	2.8
179.14468	3.4
195.13922	2.9
273.18820	3.8
291.19626	29.0
293.21231	27.4
309.20770	100.0
470.90601	2.9
524.47479	2.9
567.40796	4.2
585.40369	3.0
599.20154	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	585.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64271	0.7
54.98019	0.7
80.83273	0.9
82.87192	0.9
86.13876	0.9
96.36614	1.0
131.49292	0.9
222.76425	0.9
255.23311	100.0
395.09668	1.3
521.68121	1.2
523.69220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52375	1.6
57.03441	2.0
59.01392	8.3
65.81498	1.8
71.01385	3.6
71.05034	2.8
72.02150	2.2
73.02929	2.3
78.95918	4.1
79.21809	1.9
80.16181	2.0
85.02946	2.7
85.09142	1.6
87.04524	62.9
123.04559	2.7
125.02422	4.5
131.38815	1.9
195.54820	2.5
268.12064	2.8
337.23929	100.0
352.89716	2.2
361.23895	4.7
472.33609	2.2
585.26868	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39360	2.2
54.69271	2.7
55.01888	3.3
57.03451	13.1
57.65456	2.5
59.01381	48.8
64.66724	3.5
69.03459	6.2
71.01395	21.9
71.47923	2.4
73.02950	6.7
74.29395	2.5
75.00872	5.6
76.94600	2.5
76.96985	2.8
81.03459	6.0
83.01414	4.6
83.05046	6.4
84.02173	4.2
85.02941	33.2
85.16137	2.5
86.35194	2.6
87.00880	6.7
89.02450	16.7
95.05046	4.4
99.00911	3.7
99.04517	4.0
101.02432	44.8
109.02926	5.1
111.00910	5.3
113.02431	22.7
115.07632	4.2
119.05003	5.0
123.00852	3.1
125.09705	3.3
127.07664	3.9
128.01155	6.9
129.01932	100.0
133.02940	32.9
134.03775	23.6
135.04518	49.0
135.08131	12.3
137.02448	6.6
139.03969	4.3
147.04446	3.8
148.05322	3.6
153.09218	15.9
161.02502	34.4
161.04485	4.0
167.10667	3.7
173.06015	5.5
177.01918	13.6
177.04095	4.5
177.05557	7.3
178.02739	12.1
178.09962	24.8
179.03534	37.8
187.07655	4.2
189.12827	20.7
195.05058	13.1
195.10260	14.9
201.05731	4.6
201.09695	3.1
204.11617	5.0
215.14378	3.1
220.03685	6.6
221.04553	19.3
233.11729	4.9
235.13390	23.2
251.05630	11.9
253.09303	31.1
269.19046	12.5
275.09204	6.1
281.06686	19.5
287.20029	14.3
313.18253	23.0
322.06641	3.4
331.19238	84.4
341.08722	5.5
349.20297	43.4
408.10715	6.3
451.08951	4.6
452.09805	22.1
498.20953	16.6
549.16467	38.3
567.20386	6.2
567.28455	17.1
585.08527	3.3
589.28064	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	585.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	43.1
60.01740	2.9
60.42984	2.4
60.73059	2.4
66.59971	1.8
67.26701	2.2
69.29301	2.0
78.01576	2.1
84.93533	2.2
111.00906	2.3
120.04559	18.4
121.04881	5.5
122.06104	16.1
123.04598	2.5
128.38660	2.5
148.04047	3.8
150.09254	3.5
175.47327	2.5
207.54671	2.1
211.17010	3.0
213.10239	3.2
215.69505	2.4
217.59903	2.9
225.10335	3.2
226.12479	6.0
227.12012	4.8
239.08261	22.0
240.09052	11.9
241.09901	17.8
252.09163	5.1
253.09848	59.2
254.10635	40.6
255.11400	3.6
267.11411	45.6
268.12204	65.3
269.12970	96.1
295.10934	10.8
311.10428	5.0
312.11282	4.0
313.12003	25.3
321.14633	4.4
334.10632	2.6
337.23984	4.5
418.21692	5.3
434.17203	11.3
437.41342	2.9
462.20432	64.8
463.21234	10.1
510.51935	3.1
585.27246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.2
59.01382	12.2
63.41023	0.7
68.99835	1.2
71.01366	7.2
72.99303	2.0
73.02958	1.3
75.00867	40.7
81.03489	1.0
81.18792	1.0
85.02962	8.8
87.00856	8.7
89.02446	1.6
93.60507	1.1
96.96011	2.0
97.02945	0.9
98.77609	0.9
99.00871	8.2
100.65388	0.9
101.02442	3.5
108.02182	8.6
109.02943	10.4
111.00893	2.0
113.02465	1.4
115.70821	0.8
119.05032	1.1
121.02892	3.5
122.03728	4.4
123.04562	1.7
125.02428	3.7
126.62580	1.1
127.85884	1.0
129.01942	20.4
133.02943	6.4
134.03737	22.2
135.04486	4.7
136.01678	4.4
137.02449	36.1
143.56824	0.9
144.17850	1.0
146.03752	4.2
148.05319	1.8
151.04079	1.0
158.03807	1.2
159.03009	7.9
159.04504	12.4
161.02470	2.1
167.03464	1.3
172.05409	1.7
173.06073	1.9
174.03217	4.6
174.06833	12.8
175.03998	1.6
176.04797	4.6
177.04024	5.0
178.02724	4.7
187.04041	27.8
187.07686	6.5
188.04756	5.2
195.05119	100.0
196.05554	1.0
197.06104	13.2
198.06830	10.9
201.05557	2.1
202.06320	4.4
207.13940	1.5
211.13467	12.4
215.06998	1.1
225.15024	17.5
233.88083	1.0
246.27101	0.9
269.13950	9.7
281.15399	1.2
283.13226	1.0
283.17343	1.5
286.66708	1.0
299.16565	41.1
301.14172	1.1
309.11423	1.6
309.15009	45.2
317.17612	20.0
327.16074	81.6
345.17130	52.9
346.17496	1.1
363.18311	4.5
371.14999	6.2
389.16104	1.7
407.17191	5.2
447.18726	11.4
496.35242	1.0
539.69781	1.0
567.20892	4.6
585.21991	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	585.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53564	0.5
54.13430	0.5
54.79827	0.4
59.01409	0.6
59.37637	0.4
70.92216	0.5
72.99302	0.7
76.72122	0.5
77.58118	0.5
83.01415	3.1
87.00884	0.7
88.59045	0.5
96.96005	18.9
96.96592	1.0
99.00894	5.3
109.02953	9.4
115.00323	3.7
121.02999	0.8
121.06590	3.3
123.04467	0.7
125.02454	1.1
131.05037	0.9
133.02986	2.2
133.58350	0.6
135.04527	3.1
136.80626	0.5
145.02943	3.8
147.04539	4.6
148.05359	3.7
149.06084	100.0
150.03242	1.2
159.04530	0.8
160.35233	0.6
161.02441	7.2
161.06094	2.5
163.04002	6.5
165.05606	4.6
174.03244	1.3
175.04005	15.9
175.07468	0.6
177.01956	8.5
185.06094	0.7
187.04010	1.3
188.04825	0.7
189.05579	2.7
191.03477	2.4
191.07158	0.5
192.04274	0.9
193.05067	13.1
201.05692	0.7
203.03610	0.8
203.07198	0.6
205.05083	0.9
206.02272	1.2
209.04617	0.5
215.03555	0.7
219.03012	28.0
233.04593	9.4
237.01669	1.2
237.04066	35.8
247.05722	0.7
255.05237	1.0
258.07025	0.6
275.05576	2.2
277.03638	3.9
293.06747	3.3
319.04584	4.4
337.05676	27.0
423.09375	5.7
441.10431	7.5
481.10098	3.7
523.10651	5.0
541.12122	9.0
550.92981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13269	0.3
59.01388	2.9
64.30746	0.4
64.89330	0.4
70.12120	0.4
71.01377	0.8
73.02977	0.6
75.00890	2.9
85.02971	2.1
87.00881	0.7
93.03496	0.6
96.89726	0.5
96.96056	0.5
101.02419	1.0
103.88277	0.4
106.04233	0.5
109.02944	2.0
113.02488	0.9
121.02935	3.1
122.03753	1.2
123.04551	0.5
125.02445	0.6
129.01930	2.5
133.02972	4.3
134.03738	70.8
135.04558	1.9
136.01666	1.1
137.02444	12.7
139.04034	4.7
147.04515	0.8
148.01639	0.6
149.02467	6.8
149.06096	19.4
150.03236	12.6
151.03981	0.9
161.02435	1.0
164.04822	0.9
165.05583	8.4
174.41798	0.4
178.02724	48.2
187.04094	0.8
187.07658	1.1
192.04225	1.6
193.05072	100.0
194.05687	0.5
195.03290	0.5
195.05104	4.0
195.06720	2.5
205.08563	0.8
207.06651	1.0
215.07156	0.7
228.22606	0.5
233.08336	0.9
239.07339	0.6
249.11397	2.4
257.08167	0.6
297.39069	0.6
299.13055	0.5
327.15930	0.6
328.09583	0.6
329.10345	0.5
341.10519	0.5
343.12003	0.7
345.17172	0.8
389.16043	1.0
443.13263	1.0
537.17761	2.7
567.21014	0.7
585.20715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92940	0.4
55.01865	0.5
57.03445	0.9
59.01387	2.1
64.34051	0.4
65.84154	0.4
67.09469	0.4
71.01371	3.1
72.99297	0.6
75.00864	0.7
79.95737	2.0
81.17529	0.5
83.01390	3.9
85.02957	1.0
87.00878	2.1
96.96004	100.0
99.00851	4.5
104.38955	0.5
108.02293	0.5
109.02962	7.9
111.00877	4.0
113.02464	2.1
115.00365	2.9
119.05032	1.1
121.06579	2.0
123.04512	0.9
125.02457	5.2
126.02791	0.6
129.01956	1.0
132.02162	0.5
133.02960	4.9
135.04509	12.4
137.02415	1.2
139.00374	7.2
145.02939	1.0
147.04510	5.0
148.05310	4.3
149.06088	44.9
150.03188	0.5
151.00331	0.6
151.04001	1.2
153.01950	2.3
157.01442	3.6
158.89873	0.5
159.04460	2.1
160.01677	0.6
161.02443	26.5
161.06061	2.5
162.80391	0.4
163.03978	3.8
165.01917	1.1
165.05568	2.6
166.99814	0.5
171.04500	0.6
173.06046	0.6
174.03227	0.7
175.02507	0.9
175.04013	12.2
177.01878	3.6
177.05492	0.7
179.03526	4.2
185.06036	0.8
187.04024	2.1
187.07541	0.5
188.04770	0.9
189.05566	2.6
191.03508	2.2
193.05040	5.1
195.05136	0.8
201.05568	0.9
203.07152	0.9
205.05101	1.2
206.02222	0.7
213.05507	0.5
219.03000	15.5
231.06586	3.2
233.04539	6.6
237.04037	13.7
237.06369	0.6
247.05988	0.7
263.05713	1.9
274.86063	0.4
275.05640	3.0
277.03531	2.5
289.07251	0.6
293.06680	2.7
319.04657	5.6
337.05707	12.7
365.08795	3.4
383.09924	2.2
423.09167	0.7
441.10333	3.3
455.12070	0.8
479.11951	0.7
481.09793	5.0
523.10968	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	584.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22670	0.4
59.01386	3.7
61.98844	4.4
67.01903	0.5
71.01382	2.8
73.02932	0.5
73.29842	0.4
75.00857	0.6
75.75632	0.5
78.35924	0.4
81.03493	0.7
83.01404	1.2
85.02931	3.9
87.00858	1.1
93.03475	0.9
95.01408	0.6
96.04566	0.8
98.69299	0.5
99.00809	0.6
99.16344	0.5
100.70336	0.5
101.02438	1.1
104.89391	0.5
107.01402	0.8
108.02165	0.8
109.02956	25.0
109.03692	1.1
111.00861	2.9
113.02440	1.1
117.03465	40.6
119.05022	33.1
123.00883	2.0
124.01665	2.5
125.02516	1.8
133.02983	3.8
134.03741	2.4
135.04543	0.7
137.02507	3.5
145.02963	100.0
147.04546	1.0
148.41849	0.6
151.00378	0.5
151.04027	0.5
152.01134	5.2
153.01945	33.1
159.04440	0.7
161.02425	2.4
163.04019	21.9
175.03932	0.6
177.01961	0.7
178.02736	2.1
187.04005	0.8
188.74384	0.5
195.03046	2.3
195.05029	0.6
203.03635	0.5
211.13438	0.8
220.97260	0.6
221.04449	0.6
232.09706	0.9
255.05055	1.9
263.95370	0.6
279.04880	0.6
327.15967	0.7
345.17261	2.0
420.13126	13.6
438.14203	12.4
448.16177	2.6
584.17816	79.1
585.18225	1.9
588.74683	0.6
591.70343	0.6
610.85437	0.6
613.90094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64430	1.4
54.82373	1.8
77.36916	1.7
92.10133	7.6
120.09292	2.2
253.21777	100.0
421.84637	2.2
529.80304	2.0
570.98358	2.1
574.04828	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	584.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73608	0.8
57.05472	1.0
59.01395	7.7
59.47206	0.8
61.98838	5.2
68.54693	0.8
70.83950	0.9
71.01403	5.1
73.02953	1.0
75.00874	1.5
75.48120	0.9
75.77415	0.9
85.02951	6.6
87.00874	1.5
92.10101	2.6
93.03468	1.4
95.01365	1.7
96.04552	1.3
101.02462	3.8
109.02959	28.1
111.00133	1.0
111.00889	4.1
113.02447	1.4
117.03472	45.2
119.04150	1.1
119.05022	35.3
121.02876	1.0
124.01681	1.9
125.02440	2.3
133.02957	5.6
134.03725	4.5
135.04541	2.3
137.02429	2.2
145.02972	100.0
147.04567	1.2
152.01141	5.9
153.01956	29.9
161.02428	2.4
163.04042	22.3
174.69386	1.2
177.01936	1.2
178.02745	5.0
191.01422	1.1
195.03001	2.0
211.13411	1.8
327.15955	1.3
345.17072	3.9
362.27060	1.2
408.68701	1.1
420.13077	13.2
431.26392	1.6
432.27112	1.9
438.14133	15.2
478.11182	1.0
567.21320	1.8
584.17865	85.0
585.18683	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	6.3
74.11626	3.4
74.39129	4.5
78.95903	100.0
96.96992	4.3
99.92601	8.3
104.72016	3.4
115.92072	38.1
116.92883	24.9
120.96982	4.8
150.98039	5.4
152.99626	44.5
179.89243	30.9
180.89996	23.6
195.77022	3.8
196.89491	58.3
236.92738	8.8
255.23384	16.5
583.19928	81.8
601.98944	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	583.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68190	0.8
57.03448	12.7
59.01386	21.2
59.54856	0.8
64.78048	0.8
69.03477	0.8
69.19518	0.8
71.01384	12.5
71.05017	14.5
72.02161	1.2
73.02942	50.3
75.00877	0.8
75.34689	0.8
81.03441	2.1
83.05028	38.3
85.02950	27.3
87.00864	15.0
96.96011	3.8
97.02979	1.5
99.04523	1.8
101.02425	1.4
101.06073	9.4
107.05018	0.9
108.02204	0.8
109.02953	9.9
109.06588	11.9
111.04540	6.8
113.02457	7.8
115.07664	1.1
121.02933	1.2
123.04527	1.8
123.08179	1.5
125.02414	1.1
125.06075	29.7
125.99568	1.0
127.07656	8.4
133.02962	5.3
134.06131	1.1
135.04538	7.6
137.02399	1.3
138.05638	1.4
143.07117	4.7
145.08714	100.0
151.03958	4.6
152.01120	1.4
153.01944	12.9
161.02461	9.3
172.03717	1.0
172.05200	1.9
173.06038	1.7
175.03955	1.2
177.01947	1.3
179.03458	1.5
183.04501	1.1
187.03973	1.4
187.07671	17.2
195.02989	6.9
195.04929	1.2
199.04047	1.2
200.04715	1.6
203.03442	1.4
203.07227	1.1
203.12840	2.0
213.05623	1.1
213.09154	1.3
215.07126	1.8
219.02869	0.9
228.04094	1.4
231.06721	2.9
231.10399	1.1
231.13773	1.9
243.06554	1.6
249.14995	1.8
250.12099	1.2
254.98047	0.9
255.05098	1.3
255.14049	1.6
257.08270	12.8
265.16010	0.9
267.13901	2.1
273.14969	6.2
283.17032	4.0
285.15002	1.7
301.18231	8.3
301.21426	1.3
303.19528	1.3
319.19131	12.9
327.77661	1.0
336.00296	1.0
343.19174	1.2
348.08820	1.0
361.16315	1.2
361.20349	3.3
363.07031	0.9
373.20108	2.1
383.33389	0.9
385.23941	1.7
391.11823	1.9
391.21204	3.5
393.24771	1.2
411.25323	1.9
419.13745	1.1
429.05542	1.0
429.26474	4.1
447.27216	1.7
465.28687	38.6
466.29013	1.1
507.15372	1.5
523.32837	89.1
524.33295	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	581.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57890	0.3
56.63483	0.4
57.98260	0.4
58.24688	0.3
59.01383	100.0
59.58561	0.3
61.98837	0.4
68.68672	0.4
75.85260	0.3
100.75194	0.4
103.85850	0.4
116.18423	0.3
147.84592	0.4
159.04536	0.5
545.29871	0.4
577.72968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84891	1.3
83.87071	1.4
89.01819	1.2
90.39448	1.2
100.14028	1.1
116.92868	2.6
137.92931	1.2
220.39648	1.4
243.26448	1.3
279.23337	100.0
355.22531	1.4
581.45551	37.1
601.54211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01382	3.6
61.98835	0.5
63.23481	0.3
71.01390	2.0
73.02952	2.3
75.00865	0.7
85.02987	0.8
87.00882	1.4
96.95976	0.7
101.02443	1.5
103.04301	0.6
106.06627	17.5
109.02958	2.0
110.02461	0.5
113.02450	1.3
116.28381	0.4
118.06625	4.7
120.04550	0.4
120.08165	0.5
125.01244	0.4
125.02420	1.5
131.47954	0.4
134.06123	100.0
135.04549	1.4
136.04050	0.5
136.07678	4.6
137.02426	0.4
138.05618	5.5
146.06139	0.7
148.07693	2.1
153.01921	1.5
154.05122	1.4
161.02444	0.7
161.05995	0.5
162.05623	1.9
164.07155	0.8
172.05301	1.4
173.06145	1.4
174.05620	1.6
176.07196	0.4
178.05101	38.0
179.03423	0.7
179.07175	0.4
180.06660	5.8
180.08008	1.8
187.07666	0.6
192.06670	17.0
194.08260	0.7
195.03079	0.4
195.04958	0.5
197.59560	0.3
204.06683	0.4
220.06168	12.3
222.07741	1.3
232.06102	0.6
292.86417	0.4
322.09283	3.3
325.14569	1.5
328.13269	0.7
331.15610	1.6
343.15677	0.9
361.16672	5.9
369.13547	0.5
382.11493	21.4
387.14597	2.0
403.36023	0.4
592.56226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44896	9.3
58.12745	9.1
59.01393	13.0
76.70925	8.2
77.24220	8.5
123.25757	9.0
247.48181	8.9
253.09296	18.7
291.19757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69419	10.4
53.88810	13.3
54.82225	17.0
55.48006	11.2
59.01388	55.0
60.91967	11.8
62.99717	12.1
71.01375	16.5
74.50066	13.1
90.01599	13.5
101.02417	18.0
134.03662	18.0
234.72508	16.7
244.31232	14.7
279.60895	14.2
291.19623	23.8
309.20779	91.7
333.20840	19.1
416.22949	17.0
429.66855	14.5
545.29199	100.0
581.25232	23.8
604.16809	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	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01387	100.0
59.87850	0.3
69.75877	0.3
70.74340	0.3
71.01402	1.6
73.02951	0.5
85.02968	0.9
87.00856	0.4
99.92596	1.5
101.02453	0.4
109.02969	3.5
113.02455	0.6
116.11170	0.4
116.92858	15.1
117.54041	0.3
117.92934	0.5
121.02960	4.1
123.04566	0.6
124.01648	0.4
125.02432	2.0
133.02873	0.4
135.04521	6.5
137.02435	0.7
147.04526	0.8
149.02472	0.5
150.03229	0.8
153.01955	2.8
156.56732	0.4
159.04478	2.8
160.05299	6.6
161.02414	1.3
161.04640	0.4
161.06100	2.0
162.52438	0.4
163.04048	1.3
164.01070	0.5
164.04774	1.7
173.06024	0.4
175.07632	6.9
177.05554	2.2
178.06346	2.2
179.03482	3.9
192.07936	0.8
195.02953	0.5
240.04236	0.4
255.10358	0.7
269.08234	13.4
271.06116	0.7
271.09723	0.4
281.08191	2.0
283.09738	5.9
295.09778	0.7
299.09299	9.3
311.09305	13.7
314.11639	16.5
325.10718	1.7
326.11618	13.0
329.13983	68.2
332.07605	0.5
333.08029	0.7
341.13986	26.2
357.08234	0.5
359.11356	0.8
359.15137	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	581.1833
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
50.20922	2.8
51.47401	2.7
61.98844	4.0
70.64426	3.0
78.95905	100.0
87.00936	3.7
96.96005	6.5
96.96981	3.8
99.92587	6.1
104.19287	3.1
115.92088	27.7
116.92860	23.4
152.99641	40.0
171.00662	6.9
175.71336	3.0
179.89232	41.8
180.90059	28.2
195.95891	3.4
196.89517	46.9
235.91821	4.2
236.92633	21.5
271.88229	3.4
293.11563	3.3
445.25623	4.2
490.14536	4.7
563.17029	4.1
565.35565	3.6
581.18390	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60162	0.6
55.01942	0.6
59.01381	5.7
69.03445	0.8
71.01377	0.9
73.02950	1.6
76.57552	0.6
80.05053	1.2
83.05048	1.4
85.02966	1.2
89.02386	0.6
89.25156	0.7
101.02451	2.9
102.39527	0.7
102.40218	0.7
104.05071	0.8
106.06660	2.9
109.02969	3.6
111.04539	1.3
132.04544	18.0
133.02988	1.4
133.05194	0.7
134.06139	6.5
135.04555	1.4
137.06102	0.7
142.06596	0.9
146.06105	8.0
148.04025	1.5
150.05656	1.3
153.01964	1.3
156.08177	0.7
158.06114	3.6
158.09804	0.9
160.04045	17.4
160.07687	3.9
161.02429	3.6
161.04813	1.7
172.07709	1.4
173.06136	0.7
174.05609	21.9
174.09262	3.8
176.03444	1.4
182.06157	3.2
184.07678	20.9
186.05600	5.7
186.61540	0.7
187.06322	1.3
188.07263	5.6
191.05608	1.7
195.02982	0.8
198.09134	0.7
200.07222	5.7
200.10735	1.3
202.08768	57.1
204.03043	7.4
204.99026	0.7
216.06711	9.9
216.10304	3.6
226.08797	3.3
228.06734	16.0
229.07475	0.8
242.08456	0.8
244.09763	5.5
246.07770	11.4
260.05664	1.4
270.07770	3.0
272.05673	7.2
288.08905	5.5
290.06769	6.9
314.06656	1.2
325.14728	0.8
332.07822	100.0
333.08023	1.0
370.13742	0.9
374.08875	2.9
446.84866	0.7
536.14038	11.1
592.47729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45395	0.2
57.03456	0.6
58.00590	0.3
59.01385	6.2
60.34708	0.2
69.68165	0.3
71.01392	1.5
73.02940	0.5
85.02977	1.1
89.02447	0.4
93.07078	3.1
96.96001	0.4
101.02447	0.4
107.95229	0.3
113.02459	1.4
129.01855	0.3
132.62260	0.3
135.04498	0.4
136.05267	0.6
209.11839	0.5
227.16547	11.2
244.96754	0.3
293.21500	0.3
297.24347	1.6
308.65118	0.3
327.25446	13.3
331.19159	0.7
339.25281	3.5
357.26523	100.0
358.26868	1.5
373.28070	0.3
535.31415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82404	0.5
54.89338	0.5
58.88668	0.6
59.01379	8.3
71.01398	2.5
73.02960	3.5
80.05062	0.7
83.05032	1.1
85.02933	1.1
95.02899	0.5
96.19031	0.7
101.02464	0.8
104.05036	1.4
106.06658	2.7
109.02965	2.7
111.04513	1.6
113.02435	2.4
116.37144	0.7
120.04588	0.8
130.88983	0.6
132.04550	16.4
133.02975	0.8
134.06099	4.3
135.04469	1.5
146.06116	8.2
148.04089	0.8
150.05566	1.6
153.01900	0.8
155.03555	1.4
156.08162	1.1
158.06096	2.6
158.09857	0.9
159.06833	0.9
160.04037	17.7
160.07701	4.4
161.02426	4.1
161.04762	1.4
169.05380	0.7
172.07629	1.5
174.05588	19.7
174.09241	3.6
176.03491	1.5
182.06102	3.7
184.07674	18.8
186.05591	3.8
188.07156	4.1
191.05574	2.6
192.05948	0.7
195.02951	0.9
198.09271	0.7
200.07191	7.0
200.10822	3.0
202.08755	56.5
204.03000	6.9
210.05620	1.0
216.06693	10.2
216.10271	2.9
226.08705	2.6
228.06683	16.1
229.07338	1.1
232.06172	0.9
242.08311	1.1
244.09785	5.7
246.07701	10.9
260.05615	2.9
260.09247	0.9
270.07690	2.7
272.05655	5.4
273.06345	0.7
288.08771	4.8
290.06680	4.8
298.04874	0.8
314.06589	1.3
332.07806	100.0
333.08334	0.9
374.08914	2.5
396.34946	0.8
485.09787	0.6
536.14050	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	579.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69319	11.5
51.25720	13.4
51.42886	13.7
54.64664	12.5
59.01385	72.6
60.14262	12.7
71.01398	17.5
78.95914	82.6
95.53947	17.3
125.02444	18.3
211.27028	15.1
219.69756	15.9
245.18985	15.5
253.09331	23.8
269.74390	15.2
289.18185	27.1
307.19296	31.5
331.19147	100.0
338.60672	16.3
535.25385	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	579.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36095	0.3
59.01385	2.0
60.99308	0.6
65.87590	0.2
71.01394	0.7
85.02943	6.4
87.00842	2.3
88.98798	4.2
92.10813	0.8
93.03463	3.2
96.96004	6.6
99.04507	0.3
109.02953	0.4
111.04540	1.6
116.92855	0.4
118.72661	0.3
127.04015	1.7
133.02968	0.7
134.03668	0.3
135.04561	2.7
137.02426	0.4
149.00993	0.4
161.02391	2.4
171.02937	0.4
173.04524	1.5
179.03568	0.6
191.05623	100.0
192.05927	0.5
195.06706	0.6
309.27026	0.4
351.53134	0.3
353.08804	7.7
561.60535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.61666	0.5
63.36574	0.4
63.87481	0.4
68.36357	0.5
70.39998	0.4
71.01373	0.8
73.02959	0.4
85.02933	0.7
93.03371	0.5
96.96001	0.8
109.02965	2.4
111.85933	0.5
113.02496	0.8
114.93391	0.8
117.03548	0.5
119.05042	0.7
121.02969	0.9
125.49593	0.6
133.02902	0.5
135.04559	1.2
145.02927	3.5
149.06053	0.5
151.00346	0.5
153.01982	1.0
160.04013	0.8
161.02420	2.8
163.03970	2.1
174.05547	0.6
175.03961	4.3
184.07669	1.1
190.06479	0.7
195.02979	1.2
202.08754	4.0
222.05307	2.4
222.23978	0.6
228.06741	1.2
237.05582	0.7
251.07083	0.7
253.08641	1.1
255.05125	0.8
263.07065	3.0
267.03143	0.8
267.06552	1.9
269.08228	4.0
279.06567	2.5
281.08231	6.0
283.09854	0.8
291.06653	1.1
293.08209	2.0
294.09030	2.7
296.10605	0.6
297.07764	15.9
297.11050	1.4
307.09784	0.5
308.10455	1.2
309.07739	20.2
309.11252	4.2
312.10114	13.9
323.09128	3.6
324.10080	13.7
327.12427	45.4
332.07724	4.2
339.12415	38.3
339.16571	1.1
406.05975	0.6
459.78784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03451	1.1
58.00598	2.9
59.01383	100.0
71.01379	48.6
72.99316	3.2
73.02948	1.1
80.26061	0.4
83.01382	2.1
85.02955	9.6
87.00886	3.0
89.02440	61.1
93.93014	0.4
95.01349	3.4
101.02436	21.4
107.41574	0.5
108.02168	5.6
109.02998	0.9
111.00883	0.8
112.26578	0.6
113.02445	18.3
119.03501	18.9
121.02947	2.4
123.04530	5.4
125.02480	0.9
129.76550	0.5
131.03471	2.4
133.02992	1.0
135.04541	1.9
136.01656	20.8
139.00410	0.8
143.03558	4.3
146.03661	0.5
149.04576	1.2
151.04015	26.4
151.05238	0.9
153.01936	0.9
156.02623	0.4
159.04495	1.0
160.05229	1.9
161.02475	7.0
161.04524	5.7
163.03972	0.6
174.03174	0.6
175.07625	0.7
177.05531	0.5
179.05614	21.1
187.03967	2.4
188.04782	3.6
196.12701	0.6
203.07161	7.4
209.45667	0.5
241.04953	0.6
251.07112	2.4
256.36176	0.5
256.78198	0.5
259.05972	0.5
261.05670	1.1
263.07071	2.6
264.04547	0.6
278.09436	1.0
279.06586	6.3
281.08194	0.7
291.06726	0.6
294.09030	3.6
306.08997	0.8
309.07932	0.9
309.11356	10.2
324.10242	0.6
339.12390	16.2
342.11356	1.1
357.13510	19.0
381.13422	0.6
489.17853	3.7
501.17697	8.2
579.16785	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1727
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
58.67333	0.6
59.01383	10.9
59.31134	0.7
61.26821	0.6
61.35337	0.7
61.52197	0.7
63.02407	1.0
63.75339	0.7
65.00333	10.8
66.40005	0.7
67.01833	0.7
67.21255	0.7
70.81411	0.7
71.01379	4.9
71.19939	0.8
83.01398	10.6
89.02454	5.0
92.10752	2.0
93.03447	5.3
95.01410	0.8
97.02936	1.2
101.02460	1.7
106.93559	0.9
107.01395	29.0
108.02177	1.6
108.03456	0.7
109.02945	3.2
113.02448	4.1
116.92826	3.6
119.05017	51.4
122.28947	0.8
125.02446	5.0
133.02956	5.7
135.04524	5.4
145.02930	4.2
151.00374	100.0
153.01915	3.9
161.02443	13.4
162.02785	1.1
164.01155	4.4
165.01897	4.9
169.01408	1.4
174.03006	0.9
175.00371	1.1
177.01927	5.9
179.03464	1.2
185.06050	1.6
187.04027	4.6
193.01505	1.0
196.00182	1.0
227.07094	3.9
239.03773	0.9
241.04964	0.8
269.04431	1.1
271.06143	66.1
281.08200	4.0
309.07831	9.5
324.10092	5.8
339.07410	0.9
339.12369	5.4
440.40732	1.1
459.11682	10.8
578.16565	0.8
579.17249	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54876	1.0
59.01115	1.0
59.01374	9.7
63.93209	1.0
71.01398	7.4
73.02967	6.2
73.36486	1.1
76.45000	1.0
79.53946	0.9
83.62540	1.0
85.02966	1.2
87.97785	1.1
92.39703	1.0
96.96012	2.8
101.02448	2.8
107.01394	2.1
108.02168	2.3
109.02958	8.1
110.00141	1.2
113.02396	1.3
121.02926	10.0
122.03750	1.6
123.00885	2.3
123.04546	1.8
132.02167	1.4
133.02953	16.4
134.03734	1.4
135.04509	7.6
136.01671	1.2
137.02409	2.2
137.99565	1.7
139.00407	5.7
140.49504	1.0
145.02908	7.8
146.03726	2.2
150.03264	4.6
151.00409	1.6
153.01942	5.8
158.03738	1.2
159.04448	1.4
160.01694	8.0
161.02443	28.3
163.04005	1.3
165.05568	2.6
165.10510	1.1
169.06627	1.9
171.04495	1.5
177.01927	4.2
179.03481	5.8
179.06941	1.6
181.06586	1.7
183.04448	1.7
185.06096	4.9
187.04066	1.8
189.05527	2.5
195.03065	1.3
195.06651	1.7
197.06067	9.7
198.06880	7.0
199.04082	1.8
209.06157	9.9
213.05620	14.1
214.06320	1.7
215.03566	1.3
224.04791	6.9
225.05588	16.9
226.06348	6.9
228.04314	1.4
231.06635	2.5
237.05589	9.7
238.06383	11.0
239.03548	1.6
239.07161	7.4
240.04225	4.9
241.05087	36.7
242.05876	90.7
243.06465	2.3
246.05338	7.4
252.04404	2.6
253.05052	16.2
254.05846	14.4
256.07422	1.7
257.08212	41.0
259.05893	1.5
269.04565	7.2
269.08099	2.2
270.05304	8.6
281.04501	2.6
281.08023	1.6
282.05356	34.3
283.06097	6.0
285.03928	4.0
286.04858	30.1
297.04016	7.0
297.07196	1.7
298.04834	27.3
300.06357	4.7
301.07190	100.0
312.06384	2.3
313.07217	82.9
315.08737	2.7
324.06403	9.9
325.07071	1.5
327.12329	1.7
328.05847	2.3
331.08301	52.6
339.08328	1.3
340.05865	6.0
343.08246	27.7
355.08240	32.4
373.09180	13.7
382.08954	4.7
383.10049	4.9
437.51285	1.2
457.11581	1.4
475.12421	1.3
505.13504	15.5
517.13434	10.1
535.14734	7.4
549.07123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90572	0.4
55.50948	0.4
59.01388	0.4
61.98834	100.0
63.48084	0.5
66.05163	0.5
72.21196	0.5
86.92460	0.5
88.55849	0.5
88.62788	0.5
113.77016	0.5
131.06070	0.6
258.77664	0.5
279.23233	0.6
280.23645	0.8
296.57825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82599	0.2
59.01388	15.1
61.25886	0.1
62.74423	0.1
67.35300	0.1
73.99464	0.1
78.46659	0.1
78.95907	6.0
80.96535	0.2
115.54299	0.1
152.99615	1.6
153.12798	0.2
168.04306	1.5
224.06990	0.7
242.08014	2.3
261.22330	0.6
277.21695	0.1
279.23315	100.0
280.23590	1.3
301.21658	0.2
417.12241	0.1
477.28745	0.2
504.31033	26.1
505.31607	0.3
579.28546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4246
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
52.71469	0.9
52.94661	0.9
64.53791	1.0
68.66364	1.0
69.98289	1.0
73.35413	1.0
75.78048	0.9
76.65513	0.8
83.24910	0.9
87.09621	0.9
98.79454	1.0
116.04082	1.1
230.09509	1.2
244.80576	1.1
249.78183	1.2
277.21753	100.0
577.42444	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23412	0.5
59.01389	2.4
63.96242	0.7
67.43421	0.5
69.03455	1.0
71.01380	9.0
73.02949	2.7
74.79368	0.5
78.95919	1.3
78.98587	8.0
79.95734	13.0
80.96515	88.3
85.02937	4.9
87.00882	4.2
94.98084	21.7
96.08720	0.6
96.96017	2.0
97.02957	2.0
101.02468	4.1
105.48547	0.5
106.98104	4.7
122.97574	7.1
125.02428	4.3
127.03942	0.6
134.97585	7.4
136.99190	2.2
148.99158	9.1
152.98659	9.0
154.06648	0.6
156.92670	0.7
157.80211	0.6
158.42474	0.6
164.98643	14.9
179.00261	0.6
179.72325	0.6
182.99675	3.5
184.27730	0.6
206.99689	2.9
225.00780	21.2
243.01756	1.3
277.21887	5.7
278.22086	2.3
299.04416	2.8
502.29620	0.9
503.30017	1.2
577.26971	100.0
578.27142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83075	0.7
59.01385	6.8
61.35529	0.7
71.01409	4.2
73.02962	0.8
74.61920	0.7
85.02975	1.7
101.02459	2.9
108.02205	1.3
109.02968	40.4
111.00880	1.1
113.02476	2.8
117.03471	2.8
119.05023	1.1
121.02972	1.4
123.00893	1.3
123.04523	2.7
124.01633	1.3
132.02159	1.0
133.02960	40.4
134.03723	1.1
135.04538	22.2
137.02432	1.1
145.02975	7.0
149.06099	1.7
151.04033	3.8
152.01193	14.3
153.01949	63.9
159.04585	1.6
161.02455	100.0
162.02902	1.0
163.04027	1.0
165.01974	1.1
175.04001	5.7
177.05576	4.8
179.03505	12.8
187.04063	5.8
195.03017	58.3
199.24928	0.7
203.03539	17.1
221.04529	3.2
225.04054	4.7
237.04001	1.2
245.04475	0.9
255.05142	28.4
297.06244	1.6
325.10934	0.9
337.10809	1.3
383.07602	1.0
401.08841	11.2
410.73825	0.9
417.08334	13.7
441.14072	1.1
461.11212	1.1
477.10437	30.4
577.15710	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23735	0.3
59.01391	2.7
63.54506	0.3
71.01397	1.9
73.02971	0.6
81.03468	1.3
85.02972	1.7
85.69460	0.3
89.02449	0.4
89.20017	0.3
92.65174	0.3
95.01411	0.5
99.04524	0.6
101.02454	1.6
105.03491	0.6
109.02949	15.3
111.00909	1.4
113.02472	1.4
117.03461	0.5
121.02952	0.4
123.00909	0.4
124.01672	0.8
125.02430	1.5
128.90172	0.4
132.02179	2.2
133.02954	40.8
134.03720	0.6
135.00880	0.5
135.03467	0.7
135.04514	14.7
137.02484	0.7
152.01134	2.0
153.01945	20.7
154.02328	0.5
157.47383	0.4
161.02451	100.0
162.02847	1.3
175.04085	0.4
177.05598	0.4
179.03503	7.7
195.02959	2.4
222.47527	0.4
239.86516	0.4
279.05054	0.4
329.10275	0.5
397.11447	2.3
415.12518	7.3
441.14142	4.6
479.11279	0.5
480.64474	0.4
549.26367	0.4
577.15735	54.8
578.15857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44519	1.4
59.01385	100.0
65.55153	1.7
71.01381	44.1
73.02943	79.7
76.58183	1.6
81.03477	2.0
83.01385	17.4
85.02956	7.2
87.00888	3.9
89.02457	11.7
101.02445	41.7
109.02957	26.7
110.03297	2.9
113.02443	19.0
119.03526	2.7
119.04977	2.2
121.02923	3.2
125.02416	3.4
131.03529	2.2
133.02960	14.0
134.03677	3.4
135.04530	12.2
137.02525	2.3
143.03517	3.1
145.03004	7.5
147.04517	2.2
149.04526	3.3
149.06047	3.5
151.03976	4.2
152.01192	7.5
153.01926	32.0
154.02261	7.2
155.02383	2.6
161.02444	34.0
161.04581	12.0
162.02811	11.1
163.02910	2.8
166.06325	2.6
175.03973	8.6
176.04616	2.2
177.05611	2.5
178.02750	7.2
179.03519	3.1
187.03874	2.2
193.05011	17.6
195.03041	17.5
196.03355	3.7
203.03517	8.5
211.04022	6.9
223.07660	14.1
235.06270	2.0
237.05609	4.2
239.03551	3.9
241.04987	2.2
245.04611	2.0
251.07140	27.2
252.07776	7.4
255.05148	4.3
257.05664	2.2
265.08829	16.4
266.09259	2.5
267.10150	3.5
268.03906	2.5
269.04575	13.3
269.07925	3.4
283.09882	2.8
295.09848	9.5
296.07449	3.4
296.10574	68.1
311.12930	51.6
338.52817	1.8
340.09549	3.0
343.11902	12.2
355.12018	7.2
373.12997	2.5
401.08871	6.6
418.08408	2.2
419.08820	4.0
477.09967	2.6
478.11075	4.1
479.11090	13.9
577.15485	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	577.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05345	0.5
57.03456	1.1
59.01389	3.3
60.99311	0.8
66.62764	0.5
71.01382	1.3
72.93024	0.5
73.02962	1.2
74.57904	0.6
80.75314	0.5
81.03450	9.2
83.01373	7.6
83.01726	0.5
85.02942	0.9
87.00870	2.6
88.98808	3.0
93.03460	1.1
95.05022	12.3
96.96017	1.3
97.02950	2.6
97.43639	0.6
99.04518	6.1
105.01897	0.6
109.02969	2.2
113.02388	1.2
116.92889	0.9
119.05027	7.2
121.02941	2.7
122.03755	2.2
123.00869	0.7
123.04520	16.8
125.02437	23.6
133.02908	0.7
134.03738	1.1
135.03011	0.8
135.04515	3.3
137.02429	3.6
137.06076	17.2
139.04004	3.2
141.05602	0.8
149.02411	2.4
151.04002	1.3
161.02443	2.9
162.03073	0.6
163.03989	5.9
165.01900	2.2
165.05519	5.9
166.57976	0.5
167.03494	41.0
175.00388	0.7
175.04010	0.7
177.01949	3.4
177.05573	1.1
179.03551	7.8
180.04272	3.6
181.04991	4.5
189.05548	0.7
191.03500	9.4
193.01447	0.9
193.05037	3.2
203.37730	0.6
205.05051	5.7
207.02896	1.1
208.03894	1.0
209.04564	100.0
216.62688	0.6
221.04518	2.2
227.07164	0.8
233.04564	14.5
239.05562	3.7
251.05603	2.9
263.05652	1.2
329.08981	0.7
413.10907	62.7
443.12033	2.5
489.96530	0.6
533.15118	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	577.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01389	1.9
60.99310	17.9
67.14849	0.7
71.01407	1.1
74.02478	0.9
75.00912	1.0
76.63026	0.7
81.03487	0.9
83.01411	1.5
85.02963	4.4
87.00884	11.1
88.98807	100.0
97.02971	1.5
108.04539	0.8
109.02976	3.3
110.45311	0.7
113.02457	8.4
116.92864	0.9
123.04539	1.4
125.02465	15.4
125.03378	1.4
125.94772	0.7
133.02954	14.1
135.04539	7.7
137.02498	3.0
145.84027	0.8
151.04002	3.6
159.93530	1.0
160.00728	1.4
161.02457	62.2
162.02832	1.3
165.01888	1.1
167.03471	3.6
174.57341	0.9
175.03983	1.5
177.01901	1.0
179.03491	9.6
181.06154	0.8
189.05579	0.9
203.07211	1.0
225.05276	1.8
253.04675	4.8
278.62311	1.0
289.07242	1.8
305.04572	6.2
323.07846	8.8
325.77603	0.8
329.62393	0.8
341.08875	3.3
408.58624	0.8
411.09427	13.0
437.10800	1.4
455.12051	21.1
460.15225	0.9
492.94073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09327	0.6
57.03450	18.6
61.61407	0.7
63.27498	0.6
65.03973	1.1
69.03442	0.7
76.33400	0.7
78.83356	0.7
81.03459	1.6
83.01385	6.1
93.03429	2.7
95.01371	1.3
95.05025	3.9
97.02946	5.9
101.81890	0.8
107.05037	1.7
108.02162	0.7
109.02954	27.0
121.02971	3.9
122.03766	1.5
123.04517	23.5
125.02438	100.0
131.05002	1.1
133.02928	4.9
135.04483	2.9
137.02425	24.0
139.04021	5.8
146.03760	1.0
149.02432	7.4
150.03230	1.2
151.04012	19.0
155.05859	0.7
157.06396	0.9
158.03717	0.8
159.04504	4.8
160.05286	1.2
161.02461	29.6
161.06100	5.5
162.03226	3.5
163.00410	4.1
163.04021	5.5
164.01169	6.5
165.01956	6.9
167.03493	1.7
173.05943	0.9
175.04001	13.2
175.07570	1.6
177.01912	9.6
177.05595	1.1
178.02719	0.9
179.03447	3.9
183.04468	1.2
185.06096	1.3
187.04019	9.2
188.04758	4.9
189.05611	0.8
191.03439	0.9
193.05124	1.2
201.05641	1.7
202.06377	1.4
203.03552	1.1
203.07182	12.4
205.01442	1.5
205.05072	10.0
206.93877	0.8
211.03996	0.9
212.04910	1.0
213.05618	1.0
214.02750	1.4
215.03448	1.7
217.05042	1.7
221.08261	1.7
227.03477	1.5
227.07207	2.8
228.04266	1.4
229.05019	5.7
231.02905	1.2
237.05650	0.8
243.03114	1.5
245.04559	4.0
245.08171	13.7
247.06055	1.0
253.05064	1.1
255.02943	11.4
256.03741	7.1
257.04523	4.0
269.04529	2.8
273.03995	4.5
281.04593	3.8
283.02667	0.8
285.04071	1.4
287.05563	5.8
289.07205	50.2
299.05612	4.0
329.06693	1.3
339.08768	4.5
381.09906	1.6
407.07730	45.4
425.08823	18.3
451.10501	8.7
564.35431	0.8
577.13245	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26848	0.4
55.21070	0.6
57.03453	15.3
57.03718	0.8
65.00453	0.6
69.03442	0.5
69.47751	0.5
69.48528	0.4
75.18106	0.4
77.47482	0.5
81.03465	3.2
83.01383	8.0
87.47859	0.6
89.03952	0.6
93.03465	3.5
95.01363	0.7
95.05006	4.2
97.02941	6.7
98.30868	0.6
100.62887	0.5
105.03343	0.7
107.05042	1.3
108.02201	1.1
109.02945	25.6
116.92903	0.9
117.03481	0.8
121.02959	5.7
122.03746	1.1
123.00980	0.6
123.04505	22.0
124.01649	0.8
125.02431	100.0
130.99309	0.6
131.05058	2.4
133.02905	6.8
135.04512	3.7
137.02440	24.1
138.03252	0.6
139.04002	4.9
145.02943	2.1
146.03752	1.2
147.04533	2.1
149.02426	7.2
150.03204	2.1
151.04007	17.5
151.05228	0.7
159.04535	5.5
160.05280	2.1
161.02432	29.4
161.06052	6.3
162.03220	3.5
163.00349	2.4
163.04068	5.2
164.01138	5.6
165.01889	4.8
167.03500	2.6
173.06058	1.1
174.03149	1.2
175.04024	14.4
175.07634	2.5
177.01949	6.9
177.05580	2.2
178.02742	0.8
179.03499	5.3
185.06044	0.6
187.03993	8.9
188.04822	5.2
189.01973	0.8
189.05568	1.2
193.05037	0.8
199.04015	1.2
199.07652	0.6
201.05600	2.6
202.06393	1.3
203.03595	1.1
203.07150	11.7
205.01456	2.8
205.05087	10.0
211.04016	1.2
213.05623	1.1
214.02797	0.6
215.03535	2.0
217.05132	3.1
217.09013	0.5
219.06538	0.9
221.08270	2.7
225.05580	0.6
227.03552	2.6
227.07141	2.0
228.04294	2.3
229.04991	3.1
230.05910	0.7
231.02890	1.0
237.05647	0.7
243.03015	3.4
245.04614	5.9
245.08203	14.9
247.06049	1.1
255.02943	12.7
256.03760	6.7
257.04547	1.1
269.04495	2.8
271.06039	0.9
273.04092	3.1
281.04483	4.0
282.01767	0.7
283.02475	2.7
285.04001	2.7
285.07025	0.8
287.05695	6.1
289.07211	50.8
294.01352	0.7
297.04132	0.6
297.07742	1.0
299.05658	3.4
329.06696	0.9
339.08789	3.8
355.50909	0.6
381.09778	0.9
407.07755	46.2
425.08884	17.2
451.10391	7.8
497.65582	0.5
554.25519	0.5
559.12573	0.8
577.13647	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	576.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94460	0.1
59.01390	0.8
61.98844	100.0
105.21798	0.1
118.73737	0.1
170.50041	0.1
234.75003	0.1
254.09506	0.1
255.09668	0.1
268.08667	0.1
277.21768	1.4
278.22107	1.8
279.22446	1.1
280.22641	0.4
426.82010	0.1
521.61670	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	576.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25983	0.2
56.43428	0.2
59.01384	0.3
61.45054	0.2
61.98840	100.0
82.77351	0.2
88.56526	0.2
100.07413	0.2
154.04720	0.2
195.31915	0.2
277.21799	0.8
278.21982	1.1
279.22446	0.4
394.26663	0.2
475.35736	0.2
507.50409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.5
61.98829	0.2
67.66295	0.2
71.01405	0.3
73.20458	0.2
78.95898	7.7
80.75930	0.2
80.96527	0.8
82.55206	0.2
88.25710	0.2
92.10032	0.3
94.98129	0.2
96.28520	0.2
126.67369	0.2
127.07612	0.3
152.99597	1.4
168.04338	1.5
224.07021	1.4
242.08022	3.0
250.53864	0.2
259.20718	0.3
275.20255	0.4
277.21747	100.0
278.21976	1.5
355.91107	0.3
502.29492	30.8
503.29764	0.4
547.02032	0.2
549.50824	0.2
577.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22334	0.2
59.01380	0.9
61.98840	100.0
65.00330	0.5
66.52189	0.2
68.99857	0.2
71.01402	0.4
79.81794	0.2
81.03461	1.9
85.02971	0.2
93.03452	0.8
94.49282	0.2
101.02467	0.2
107.01396	0.2
109.02959	0.2
110.05694	0.2
112.21861	0.2
119.05025	9.7
123.04510	3.3
125.02444	0.4
133.02913	0.4
135.04524	0.3
141.15875	0.2
143.05037	0.8
145.02945	1.4
149.30714	0.2
151.00334	0.4
159.04478	0.4
161.02390	1.1
163.03973	0.2
174.03221	0.8
175.04025	0.9
180.06929	0.2
185.02455	0.3
187.03983	0.5
199.03897	0.3
201.01990	0.3
213.01929	1.1
213.05559	0.2
215.07172	0.8
227.07108	0.3
235.07690	0.3
238.06398	0.2
241.05045	0.9
242.02168	0.3
243.02992	2.7
255.06665	0.8
256.00116	1.7
257.00812	0.3
265.05072	0.3
268.98129	0.2
269.00937	5.1
270.01563	0.3
277.05191	0.2
279.06528	0.7
281.08234	1.1
283.02521	1.0
283.06085	3.7
291.94870	0.2
295.02408	0.8
297.07532	0.3
307.06186	1.4
323.09225	0.4
325.07166	1.9
347.05655	0.2
349.07141	0.8
367.08185	1.3
374.57263	0.2
375.05115	0.3
376.05801	1.1
389.06686	5.0
393.06204	2.4
415.02719	0.2
513.11969	25.5
514.12756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
59.01650	0.6
64.24907	0.5
64.64553	0.6
69.99191	0.5
71.01384	2.4
80.69189	0.5
82.14718	0.5
85.02967	0.8
87.00921	0.5
89.02441	1.2
101.02460	3.4
103.68952	0.5
109.79250	0.5
113.02455	1.1
161.04520	0.9
253.09302	9.3
279.23328	100.0
306.10065	0.5
509.09491	0.6
516.46704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44692	0.2
56.59940	0.2
59.01390	15.7
71.01393	2.6
73.02971	0.5
85.02966	0.5
87.00885	0.4
89.02451	3.4
101.02439	3.5
107.38369	0.3
113.02451	1.5
119.03477	1.0
130.94254	0.2
161.04581	0.6
200.93771	0.3
210.58383	0.3
235.08240	0.6
253.09317	10.4
279.23309	100.0
280.23630	1.6
293.87320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17231	84.2
71.25634	78.8
85.59839	96.8
92.78223	85.4
108.01332	78.2
113.75845	84.6
153.01955	95.5
200.24835	91.8
233.22400	89.4
501.32095	99.7
549.03638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42295	0.4
52.55024	0.5
59.01392	18.8
62.85797	0.5
71.01406	2.7
78.95930	0.6
83.01395	0.6
85.02941	0.5
89.02460	3.0
101.02442	3.4
103.97810	0.5
113.02439	1.0
153.26689	0.5
196.30321	0.5
198.79379	0.7
220.29724	0.6
235.08318	0.5
253.09299	10.0
255.27095	0.5
279.23315	100.0
359.44531	0.6
514.80786	0.7
564.32654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81839	1.3
59.01387	34.4
61.98827	12.8
65.55187	1.5
69.11653	1.6
71.01400	8.3
73.02959	8.9
85.02940	1.5
99.04266	1.5
101.02463	3.5
112.17752	1.6
113.09701	2.6
133.02870	1.8
137.53465	1.6
157.08694	95.8
169.12337	36.0
228.39618	1.5
244.70770	1.6
265.21783	11.1
327.21802	100.0
353.14255	2.0
490.98795	2.0
551.39807	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	575.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30147	0.7
52.63007	0.6
53.47480	0.6
53.72495	0.8
57.03453	94.4
58.21688	0.7
58.75302	0.6
59.01384	92.2
59.23994	0.6
60.03610	0.6
71.01378	13.3
72.99313	0.9
73.02953	1.3
78.95917	1.4
81.03436	1.5
83.01387	1.4
83.05042	1.4
85.02956	4.5
87.00855	0.9
89.02437	11.2
96.96001	23.1
96.96958	1.2
99.04514	100.0
101.02435	24.6
113.02471	5.3
118.34299	0.8
119.03501	4.7
119.05056	0.8
121.05067	9.5
125.02442	15.9
129.05574	8.6
143.03488	3.8
147.06627	3.6
161.04565	3.7
163.04088	0.9
163.06142	4.5
184.56998	0.9
203.09259	4.2
265.09317	76.1
279.80606	1.0
295.10562	0.9
309.11948	62.7
315.07269	0.9
518.16608	0.8
528.65839	0.8
590.68097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92791	2.8
57.03449	4.4
59.01387	7.3
71.01400	13.0
73.02971	6.4
75.00874	4.4
83.01395	6.2
87.00897	24.5
93.03438	6.8
96.96001	13.7
99.00857	5.6
111.00891	13.3
115.00366	70.1
116.92904	3.7
119.05025	44.4
121.02898	3.5
123.04530	12.7
125.02426	33.4
132.02052	3.5
133.02953	14.3
133.06566	14.3
135.04510	5.7
137.02458	7.0
139.00357	11.9
145.02940	12.6
147.04514	16.1
151.03978	7.2
157.01427	19.1
159.04489	3.4
161.02432	6.0
161.06171	4.1
163.04034	20.9
165.05551	7.0
167.45166	3.0
171.04521	6.5
174.01732	7.2
175.02473	27.9
175.04015	17.3
177.05597	20.4
185.06087	3.6
187.04128	3.3
189.05540	6.9
191.07162	33.6
203.03511	4.4
206.05872	4.2
207.06718	4.0
208.38655	4.0
215.03519	4.0
215.07205	4.0
215.47847	3.3
217.05038	12.6
218.05911	18.5
221.04556	4.9
221.26617	3.0
235.05986	3.6
243.02626	5.6
259.06012	21.9
264.49774	3.0
281.06650	5.1
291.08810	100.0
301.82663	3.3
335.87936	3.5
453.14398	4.5
455.11987	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	575.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65941	0.9
52.89430	0.9
53.72261	0.9
54.25465	0.9
55.40042	1.2
55.52466	0.8
59.01396	4.5
60.58804	0.9
69.33339	0.8
72.99311	1.3
75.00879	4.6
76.50635	0.9
87.00876	10.5
92.80246	1.0
96.96008	100.0
99.00906	1.7
105.48579	1.1
112.98831	4.5
119.05023	53.6
129.02045	1.1
133.02986	1.3
133.67125	1.0
135.04434	1.1
137.18665	1.1
144.44147	1.1
149.00919	27.3
153.01962	1.3
159.03055	1.6
163.04015	73.4
177.05568	1.0
179.03499	1.2
184.73152	1.0
195.05127	13.9
216.90961	10.9
222.74031	1.0
257.49713	1.3
295.04550	16.5
315.07376	1.6
345.83987	1.0
453.57938	1.1
475.84219	1.1
477.03320	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	575.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38780	0.7
54.82327	0.8
55.71192	0.8
59.01382	8.3
60.00913	0.9
61.29382	0.7
61.98846	4.2
71.01380	2.4
71.21243	0.9
73.02973	1.2
76.34911	0.9
85.02986	1.7
87.79703	0.9
97.06557	1.0
109.02982	6.5
117.25320	0.9
119.05019	2.0
125.02456	1.1
133.02962	3.9
135.04555	3.7
143.04971	1.0
153.01949	4.7
160.01674	1.0
160.05219	1.3
161.02466	8.0
175.04109	1.1
195.02986	4.3
203.03426	1.0
207.08266	1.4
209.06152	1.2
223.07700	8.7
231.30432	1.2
235.07581	1.5
237.05608	2.4
238.06055	0.9
239.07213	14.8
249.05554	4.3
250.06270	2.2
251.07172	23.1
263.07092	6.2
264.07874	1.7
266.09470	3.9
267.06665	84.7
278.09537	1.3
279.06689	54.8
282.09012	71.8
293.08215	8.3
294.09039	30.1
297.11365	100.0
309.11395	47.5
309.14380	1.1
341.40445	1.0
353.23196	3.8
417.08411	1.4
477.10590	1.7
512.10889	3.8
531.28076	5.0
532.20428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39458	0.6
54.82483	0.8
55.01886	0.7
55.78614	0.5
59.01381	5.6
64.14137	0.7
71.01373	5.9
83.01432	0.8
84.94646	0.7
85.02958	2.8
87.00893	1.6
92.10026	0.7
95.38056	0.7
101.02502	2.2
107.01429	0.9
108.02174	1.7
109.02953	57.9
111.00884	3.2
113.02454	4.1
115.36541	0.8
119.05006	1.1
122.28349	0.7
123.04491	3.1
124.01624	1.3
125.57706	0.8
132.02165	3.8
133.02951	48.0
134.03722	1.8
135.04515	35.3
137.02460	1.1
138.79422	0.8
145.02950	3.3
147.04532	3.0
149.02472	1.2
149.06082	5.5
151.04016	1.4
152.01152	13.3
153.00685	1.9
153.01941	74.5
161.02444	100.0
163.03970	1.0
165.01897	0.9
167.03477	1.2
174.03232	1.2
175.03996	11.8
177.05583	6.2
179.03484	17.1
195.02994	60.6
203.03523	30.7
221.04512	1.2
225.04128	5.4
245.04456	1.6
255.05089	27.4
294.09189	0.9
297.06204	4.9
315.07019	1.0
338.07813	1.2
341.09821	1.1
346.31622	0.9
353.10117	5.5
368.03748	1.0
399.06909	2.6
408.28677	0.8
417.08319	38.2
477.10471	52.9
531.11023	1.3
575.14087	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	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19173	0.8
54.82169	0.8
59.01392	6.4
71.01398	4.4
72.99334	1.3
75.18530	0.9
83.01407	2.4
85.02947	1.5
95.01398	1.3
96.96044	1.0
101.02441	3.6
108.02191	2.5
109.02956	56.9
109.29736	1.1
111.00885	3.9
113.02479	1.7
119.05027	1.3
121.02976	1.3
123.04562	1.3
124.01684	4.7
132.02231	1.1
133.02957	45.0
134.03755	2.0
135.03499	1.6
135.04527	38.4
137.02426	1.5
147.04549	1.7
149.06052	5.1
151.04008	2.5
152.01152	18.1
153.01944	72.9
161.02446	100.0
165.01900	1.2
175.04005	13.6
177.05602	7.5
179.03522	17.8
189.05653	1.1
195.02998	62.0
203.03520	27.1
221.04533	4.7
225.04106	7.5
245.04637	1.5
255.05112	24.3
297.06277	4.0
341.08945	1.6
399.07614	1.5
417.08353	28.6
477.10477	50.7
508.42838	1.1
575.14355	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	575.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17302	0.5
54.82614	0.7
59.01381	7.7
59.80157	0.6
60.96340	0.6
68.35463	0.6
71.01388	5.0
72.99304	0.7
73.02957	1.2
74.22544	0.6
76.55392	0.6
81.03482	0.7
82.97181	0.6
85.02959	2.5
87.00901	1.1
95.01376	0.8
101.02432	2.5
108.02209	1.5
109.02958	59.1
111.00885	3.1
113.02472	3.0
119.05025	1.1
121.02972	0.7
123.00848	1.0
123.04486	2.7
129.29123	0.7
131.19514	0.7
132.02161	1.1
133.02954	43.3
134.03670	1.0
135.04523	32.1
137.02379	1.4
139.04065	1.1
145.02956	3.7
147.04520	1.7
148.05305	1.1
149.02388	0.9
149.06079	4.5
151.04010	1.6
152.01151	18.8
153.01947	73.5
161.02451	100.0
165.01936	2.7
167.03586	0.9
172.05354	0.8
174.03212	1.3
175.04002	12.1
177.05595	6.4
179.03494	13.6
195.03001	53.4
203.03534	30.1
203.04947	0.8
221.04543	3.4
225.04071	6.5
245.04570	2.9
255.05110	25.6
279.04962	1.3
297.06168	3.5
307.05167	0.7
366.31412	0.7
399.07196	1.3
417.02832	1.6
417.08347	40.2
477.10437	48.6
531.11566	1.3
531.28284	0.8
575.14172	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	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07910	0.2
54.18255	0.2
59.01387	16.2
59.18035	0.2
60.56137	0.2
68.58645	0.3
71.01380	3.4
73.02950	0.6
73.28484	0.3
78.85957	0.2
81.11852	0.3
85.02970	0.6
87.00883	0.5
89.02444	2.7
101.01844	0.4
101.02431	3.4
113.02448	1.6
119.03485	0.4
125.54884	0.3
161.04556	1.2
235.08287	0.6
253.09317	10.9
259.20590	0.3
275.20178	0.4
277.21744	100.0
278.22119	1.9
386.23892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61791	0.5
73.35674	0.5
93.62925	0.5
99.92579	11.6
114.93420	0.6
116.92860	100.0
156.95636	0.5
161.91106	0.5
380.40787	0.8
449.42389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89217	0.6
59.01387	18.6
66.07759	0.6
71.01394	3.6
73.02960	0.8
78.95920	0.7
85.02993	0.8
89.02447	2.6
90.59505	0.8
92.10736	1.0
94.49264	0.7
101.02446	2.6
110.20517	0.7
110.53176	0.8
113.02460	0.8
131.17471	0.7
152.99596	0.8
161.04646	0.7
174.48820	0.8
175.99471	0.6
183.33965	0.7
183.50230	0.7
253.09293	11.0
277.21738	100.0
278.22098	0.9
333.78970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21829	0.4
53.06805	0.4
55.60998	0.3
59.01385	6.2
61.98838	0.4
64.67429	0.4
69.03436	0.4
71.01374	3.4
73.02948	3.4
82.95402	3.1
83.01391	0.7
84.04744	0.6
85.02946	0.4
85.70218	0.5
93.03468	2.1
96.96006	2.8
101.02440	3.2
105.01950	0.6
105.71049	0.5
109.02964	2.9
113.02445	1.0
116.86536	0.4
116.92874	2.7
117.03458	19.2
119.05022	43.6
121.02946	2.3
123.04538	1.0
132.05817	2.1
133.02951	0.9
133.06577	8.1
134.86772	0.4
136.44383	0.4
145.02960	100.0
146.03279	0.7
153.01917	2.6
154.02286	0.5
159.04539	0.9
161.02475	0.9
161.06087	13.0
162.03352	0.5
163.04012	27.6
173.05945	0.5
177.05571	1.9
187.04047	3.4
205.05078	13.0
209.04654	0.4
246.55357	0.5
307.08145	1.9
325.09338	0.7
367.10373	25.8
533.61578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75841	1.2
55.01895	1.8
57.03457	3.3
59.01389	51.6
65.00356	1.6
67.07508	1.3
70.42238	1.1
71.01385	15.7
72.99342	2.0
73.02957	2.1
80.41357	1.2
81.03474	6.0
83.01392	6.2
85.02958	24.7
88.98833	5.9
89.02415	1.9
93.03466	5.7
95.01377	5.6
96.96014	2.0
97.02978	2.8
99.00898	2.0
99.04517	2.3
101.02430	10.7
107.01414	1.8
108.02207	6.2
109.02957	74.1
111.00888	13.9
113.02466	8.2
117.03471	43.5
119.05020	60.5
121.02970	13.6
123.00895	5.7
123.04539	2.5
124.01673	7.6
125.02435	9.0
127.04039	1.4
129.01976	11.0
131.04942	1.6
133.02980	12.9
134.03683	1.5
135.04526	5.5
137.02464	5.2
137.09787	1.5
143.05058	2.6
145.02965	100.0
147.04588	2.9
149.02454	8.1
149.06013	2.5
149.83476	1.5
151.00385	11.9
151.03870	1.6
152.01169	25.8
153.01941	77.9
154.89470	1.5
158.03725	2.3
159.04526	15.4
161.02426	19.6
161.06059	2.2
163.04021	25.4
165.01900	9.8
171.04448	1.8
173.02402	5.0
175.04047	3.0
177.01904	3.4
177.05530	17.7
179.03494	5.3
187.04015	22.9
187.07631	9.5
189.05624	1.4
191.03554	3.4
193.01410	12.0
194.02223	2.6
195.02995	47.5
195.04584	4.3
197.06178	2.6
199.04103	1.9
203.03447	1.5
211.04021	2.1
213.01956	1.4
213.05569	6.8
215.03456	3.1
215.07118	2.9
217.01527	1.6
221.04546	5.9
225.03926	5.7
227.03642	2.7
231.03030	1.6
231.06619	2.9
233.04599	2.4
237.07794	1.6
239.03500	2.0
240.04243	1.7
241.05069	11.3
243.02977	6.5
243.06497	2.6
255.05118	20.7
257.08209	2.4
259.02466	10.9
263.05652	8.1
267.02948	11.6
269.01019	6.8
269.04578	19.2
279.05368	1.8
283.02307	1.8
287.05576	6.1
293.12372	1.9
295.02533	7.2
297.06097	7.9
313.03455	11.9
323.07837	2.3
351.21771	7.7
355.04724	11.5
365.08752	2.6
375.27322	2.6
379.08127	7.0
383.08023	2.0
389.06839	9.3
401.08823	36.3
407.07712	19.8
415.06650	29.3
437.11115	2.7
441.14145	7.7
443.09662	2.7
461.11002	2.4
469.11591	3.1
470.07285	1.5
475.09128	2.6
529.13477	14.0
529.26111	2.6
555.09399	10.2
573.12341	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25278	1.3
54.82413	1.7
55.01904	2.5
57.03466	3.0
58.25964	1.8
59.01383	100.0
71.01378	14.3
73.02969	10.7
81.03457	3.9
83.01409	9.7
83.94920	1.6
85.02953	19.8
85.51634	1.6
87.00852	1.7
88.98827	2.3
89.02389	1.9
89.06102	2.1
93.03471	11.1
95.01402	3.5
97.02937	3.0
98.25848	1.7
99.04543	2.1
101.02447	14.7
107.01395	3.0
108.02203	7.4
109.02954	72.4
109.03686	3.1
111.00888	15.5
113.02455	11.0
117.03471	43.5
119.05023	66.2
119.05799	3.5
121.02946	19.5
123.00896	4.4
123.04532	3.3
124.01682	2.9
125.02423	7.9
129.01939	10.5
133.02974	17.2
135.04529	11.1
137.02414	7.2
140.56630	1.5
143.05063	3.6
145.02957	93.9
149.02438	11.0
149.06165	3.3
151.00354	17.3
151.35115	1.8
152.01160	22.1
153.01949	81.5
159.04456	12.3
161.02470	26.9
161.06099	3.8
163.00453	2.0
163.04016	22.7
165.01918	21.8
167.03503	2.0
167.05080	2.1
171.04543	4.3
173.02438	10.9
173.05983	1.9
175.00371	2.3
175.03986	8.0
177.01910	7.3
177.05531	17.9
179.03506	3.7
185.06042	2.2
187.04001	23.7
187.07591	18.4
189.19489	1.8
191.03506	6.9
193.01408	19.8
194.02315	2.9
195.03009	39.2
195.04688	3.2
197.06073	3.2
199.04050	3.8
203.03529	2.5
213.01967	2.6
213.05585	7.8
215.03577	7.6
215.07184	4.0
217.01573	2.3
221.04546	7.4
223.03993	2.1
231.02946	2.4
231.06622	2.9
233.04640	4.3
237.07658	3.1
239.03481	2.5
240.04277	2.2
241.05072	18.3
243.02934	11.1
243.06580	4.1
251.03531	2.8
251.11261	2.4
254.04411	3.2
255.05156	18.5
257.08185	3.2
259.02399	16.4
261.03995	2.5
267.02979	17.2
269.00980	12.2
269.04587	29.0
283.02496	4.0
287.05698	8.0
292.07602	2.0
293.12433	8.3
295.02438	16.2
297.06268	3.9
313.03494	20.5
323.07706	3.1
351.21793	3.9
355.04749	20.1
379.08313	16.9
383.07605	2.4
389.06827	19.2
401.08749	27.5
403.07986	2.1
407.07724	33.9
415.06772	47.3
441.14124	8.8
469.11243	3.1
475.08984	3.7
511.25479	2.0
529.13556	15.9
529.26465	3.3
555.09045	18.3
573.12128	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	573.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89029	1.6
57.03459	13.6
59.01382	15.2
63.88572	1.8
65.00323	4.4
71.01383	2.4
81.03461	4.9
83.01391	23.8
85.02974	3.7
96.96043	2.7
101.02457	3.1
107.01407	4.9
107.73730	1.9
109.02935	17.5
113.02519	2.1
115.75458	1.9
118.39729	2.0
123.04512	42.8
125.02444	50.1
130.08728	24.0
131.09084	2.3
133.02959	10.9
134.03778	3.1
135.04521	89.4
151.00381	19.8
152.01102	2.2
153.01936	7.9
159.04433	3.2
161.02432	12.3
163.04022	2.3
165.01857	2.5
167.03497	100.0
173.02408	2.3
174.03252	3.6
175.04004	14.4
175.18732	2.0
177.01881	4.0
185.02469	2.9
187.04021	3.6
189.05614	4.4
195.03012	4.3
197.02371	3.0
199.04076	16.9
201.01984	16.8
211.03983	3.6
213.01971	11.1
215.03569	3.0
215.07219	2.3
223.03987	7.0
239.03474	15.8
241.01277	3.4
241.05092	7.6
242.02179	2.2
243.02982	22.3
254.38986	2.2
256.00131	2.6
267.03018	56.6
269.00922	54.8
283.02570	2.4
285.04089	24.8
311.02036	62.9
311.05414	3.7
337.35501	2.1
387.05280	3.7
403.08359	3.1
405.06241	36.5
421.09235	19.3
447.07150	15.0
528.28784	6.1
529.28314	3.3
573.10455	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	573.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
59.01390	17.3
59.56352	3.3
64.25654	3.8
65.00338	5.9
71.01402	5.5
78.95920	6.9
80.77026	3.7
81.03475	3.6
83.01395	26.1
85.02979	4.2
88.65678	4.2
92.10172	8.6
93.63902	3.4
95.01401	3.5
104.02997	4.3
104.18577	3.4
107.01427	4.0
109.02957	50.0
109.47450	3.8
111.00890	5.0
117.90251	3.4
119.05035	4.6
119.14337	3.4
123.04536	38.6
125.02448	49.2
126.79913	3.6
133.02991	30.5
134.03717	9.3
135.04547	100.0
137.02443	8.1
142.76089	4.1
151.00360	21.2
152.01151	20.6
152.99602	6.3
153.01978	53.2
161.02422	45.7
165.01910	8.4
167.03517	96.0
173.02483	4.9
175.04050	14.4
177.01952	6.4
179.03513	15.4
189.05551	6.0
195.02994	16.9
199.04016	21.3
201.01942	22.0
203.03560	5.4
211.04140	4.8
213.02150	4.3
239.03516	7.2
240.10742	4.0
241.05049	7.0
243.02959	16.9
267.03009	44.2
269.00967	59.8
285.04044	19.0
311.02014	57.4
322.06891	9.0
323.07782	5.0
405.06213	39.2
416.07648	15.5
421.09305	9.1
447.07141	8.5
476.09351	28.8
513.13062	7.3
573.10352	8.1
582.87762	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	573.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89029	1.6
57.03459	13.6
59.01382	15.2
63.88572	1.8
65.00323	4.4
71.01383	2.4
81.03461	4.9
83.01391	23.8
85.02974	3.7
96.96043	2.7
101.02457	3.1
107.01407	4.9
107.73730	1.9
109.02935	17.5
113.02519	2.1
115.75458	1.9
118.39729	2.0
123.04512	42.8
125.02444	50.1
130.08728	24.0
131.09084	2.3
133.02959	10.9
134.03778	3.1
135.04521	89.4
151.00381	19.8
152.01102	2.2
153.01936	7.9
159.04433	3.2
161.02432	12.3
163.04022	2.3
165.01857	2.5
167.03497	100.0
173.02408	2.3
174.03252	3.6
175.04004	14.4
175.18732	2.0
177.01881	4.0
185.02469	2.9
187.04021	3.6
189.05614	4.4
195.03012	4.3
197.02371	3.0
199.04076	16.9
201.01984	16.8
211.03983	3.6
213.01971	11.1
215.03569	3.0
215.07219	2.3
223.03987	7.0
239.03474	15.8
241.01277	3.4
241.05092	7.6
242.02179	2.2
243.02982	22.3
254.38986	2.2
256.00131	2.6
267.03018	56.6
269.00922	54.8
283.02570	2.4
285.04089	24.8
311.02036	62.9
311.05414	3.7
337.35501	2.1
387.05280	3.7
403.08359	3.1
405.06241	36.5
421.09235	19.3
447.07150	15.0
528.28784	6.1
529.28314	3.3
573.10455	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	571.9568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46196	1.6
50.98905	1.7
51.48671	1.7
54.46445	1.7
59.01389	8.7
60.99306	20.3
61.98845	1.9
71.01415	2.0
80.91714	1.7
83.18040	1.8
84.95123	2.6
88.98798	100.0
92.10800	1.8
114.39462	2.0
123.53320	1.9
129.77791	1.6
134.55370	1.7
151.13371	1.9
164.51889	1.9
201.96257	3.3
203.95999	3.4
253.09056	2.4
267.29333	2.0
293.21185	2.1
335.22342	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	572.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30590	2.0
55.01888	2.5
57.03460	2.5
59.01390	100.0
61.98837	4.4
71.38223	2.1
73.02962	2.4
83.01391	7.9
91.04034	5.2
101.02454	4.3
119.03530	2.8
120.22379	2.1
175.06113	4.2
193.07199	8.1
195.13927	8.1
277.21713	13.0
295.22818	58.0
453.28772	11.6
471.29654	42.2
513.30841	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	571.2898
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.82889	0.6
57.31895	0.5
59.03764	0.6
61.98843	0.6
71.45838	0.8
78.95902	72.8
85.05767	0.7
96.96963	16.8
98.19215	0.7
103.84753	0.7
152.99602	66.7
171.97543	0.7
186.00533	0.6
215.95407	0.6
223.00201	2.5
241.01221	34.7
255.23328	100.0
315.04880	7.9
391.22595	4.5
571.28992	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31561	1.1
54.82657	1.6
56.16519	1.4
59.01145	1.2
59.01380	11.0
71.01389	3.4
73.02934	2.5
76.57422	1.2
78.16641	1.4
85.02952	2.1
87.00891	1.8
88.98806	2.1
90.18527	1.4
96.96016	3.3
97.06585	1.3
101.02404	1.7
106.01473	1.5
113.02470	1.8
121.03040	1.5
132.18187	1.4
133.02937	2.2
135.04524	3.1
152.36227	1.3
161.02420	5.2
179.03468	2.0
190.88612	1.3
192.77556	1.4
193.34612	1.7
193.52763	1.5
227.16571	2.7
250.30513	1.8
257.17728	10.9
373.26028	100.0
535.31091	1.6
571.28815	14.2
588.83777	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	571.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.1
60.61805	2.4
61.98864	2.5
63.81424	2.6
66.06641	2.2
71.01387	6.1
73.02946	3.4
85.02957	10.3
87.00883	11.0
92.10047	2.9
96.96027	13.6
100.10560	2.5
109.03003	4.1
113.02468	6.7
114.93432	3.0
121.02958	5.3
122.03744	15.4
123.04523	5.2
133.03023	2.8
135.04483	6.0
135.60031	2.7
136.01657	5.1
145.02988	6.5
146.03737	65.9
147.04581	3.6
149.02464	59.4
150.03232	100.0
150.04361	4.8
153.01971	3.5
161.02481	6.6
161.06114	17.8
164.04799	58.8
165.05592	92.0
175.03954	4.2
179.07127	56.9
180.04370	5.4
187.07608	3.4
195.04962	4.0
195.06638	42.6
249.11440	3.9
267.12244	4.0
290.41406	2.9
312.10135	3.8
327.12375	17.3
343.11850	29.2
353.12503	2.9
367.84802	2.9
523.19708	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	571.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74229	0.6
59.01384	2.7
71.01407	0.6
71.25909	0.6
81.03471	2.5
82.95435	1.3
85.02973	0.8
88.98789	2.5
89.02451	0.6
95.01367	0.9
96.96014	3.1
98.34322	0.6
102.69566	0.7
107.01408	1.2
108.02171	4.9
109.02954	68.1
116.92875	6.4
123.00827	0.7
124.56767	0.8
125.02448	3.3
129.01923	0.7
135.04536	1.1
136.01613	1.0
143.61920	0.6
144.96086	0.7
149.02403	1.3
150.03258	5.0
151.00372	14.3
151.03943	1.1
152.01143	14.1
153.01944	100.0
161.02368	1.1
165.05576	5.0
195.06636	2.7
207.03046	3.0
214.04204	0.7
228.35660	0.6
301.07306	11.4
313.07291	1.1
315.07269	18.7
330.68134	0.7
331.08264	4.9
349.09329	18.0
381.44598	0.7
511.58807	0.7
593.27582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05978	0.9
55.01898	1.4
57.03456	12.3
58.00600	1.2
59.01386	87.1
61.73613	1.0
69.03451	1.4
71.01389	35.8
72.99309	1.8
73.02984	2.3
81.03477	2.2
83.01411	2.7
83.05083	1.1
83.94173	1.1
85.02962	20.5
85.03454	1.2
87.00913	5.7
89.02458	35.9
95.01408	2.3
97.02959	1.8
99.04525	24.1
101.02458	28.3
111.00894	9.0
112.27079	1.1
113.02466	17.0
115.04026	4.2
119.03516	13.1
119.05026	13.7
125.02433	5.9
127.04021	4.5
129.01947	16.7
133.05060	1.6
139.58478	1.2
143.03540	1.4
149.00853	1.8
151.06140	10.5
159.43137	1.1
161.04561	8.6
163.04024	17.6
168.90567	1.1
179.05583	2.3
193.07121	1.5
279.10800	2.6
291.07300	14.8
295.10391	100.0
311.14438	1.2
366.73178	1.1
521.63678	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	571.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01387	11.7
62.80122	0.5
63.02415	0.5
65.00327	11.9
66.01048	0.4
71.01382	1.3
73.02963	0.8
80.88533	0.5
83.01382	5.9
85.02972	0.6
87.00909	0.6
96.96009	15.4
107.01402	15.3
107.05039	0.7
108.94642	0.5
109.02953	7.4
113.02470	0.8
119.05035	1.0
125.02466	4.6
133.02980	2.3
134.03731	3.3
135.04530	90.4
137.02441	0.6
147.04468	0.7
149.02374	0.7
149.99739	0.6
151.00378	39.4
159.04510	3.1
161.02458	7.4
170.03790	0.7
171.04552	3.9
173.02428	2.9
183.04506	4.7
185.02454	1.0
185.06046	0.7
187.04039	3.2
189.05605	1.0
193.01427	2.5
199.04070	2.0
201.05600	1.0
203.03439	0.7
211.04056	8.5
213.01941	2.3
213.05702	0.9
215.03532	3.0
225.01906	0.9
225.05569	0.7
227.03552	7.4
237.05684	0.7
239.03464	10.6
241.01476	0.6
241.05032	1.1
242.02200	0.7
252.04474	0.7
253.01414	2.5
255.03033	4.5
256.03903	1.1
257.04593	10.3
268.00159	11.1
269.00943	2.2
269.04599	3.6
277.05054	0.6
281.01016	1.2
281.04553	2.9
282.01785	0.7
283.02521	100.0
284.03110	1.2
285.03986	0.6
295.02429	0.8
297.04083	4.2
301.03552	3.8
309.00439	9.9
309.04007	3.7
311.05933	0.6
311.12231	0.5
321.04025	1.2
323.05704	4.9
325.03580	19.2
349.03638	6.4
363.05365	0.7
365.06860	0.9
367.04703	9.1
391.04538	3.5
401.06833	2.0
409.05945	2.1
419.07782	21.0
435.03659	12.5
445.05670	7.9
485.31268	0.7
535.31549	0.6
571.08929	79.6
572.09540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
57.53421	0.7
59.01380	7.9
59.42986	0.8
65.00332	7.6
69.61436	0.9
71.01385	1.0
73.02964	1.0
73.75854	0.8
79.38815	0.8
82.65520	0.9
83.01394	2.1
84.97758	0.9
92.66103	1.3
93.03452	5.3
96.96021	1.9
107.01421	6.5
107.05071	0.8
109.02957	10.6
110.12798	0.8
113.02448	1.2
119.05054	1.2
121.02957	1.4
125.02423	6.4
129.05528	1.0
133.02959	5.1
134.03719	4.1
135.00841	1.2
135.04526	100.0
137.02449	4.8
145.02982	1.5
147.04524	2.0
150.26410	0.8
151.00372	18.2
153.01990	1.0
157.02844	1.4
158.03746	1.3
159.04518	7.0
161.02448	10.3
163.04008	3.3
165.01933	26.2
169.01524	1.1
169.02953	4.0
170.03668	1.0
171.04472	7.7
173.02469	6.9
174.03261	1.3
175.04001	13.7
177.01891	1.1
183.04495	1.8
185.02443	5.8
187.04018	8.2
189.05576	1.2
197.02452	5.4
198.03185	1.1
199.04036	9.9
201.01965	8.9
201.05756	1.0
203.03421	3.1
211.04054	6.1
213.01956	14.1
213.05576	4.8
214.02728	1.6
215.03557	10.2
215.06805	1.1
225.02016	3.6
227.03543	4.1
229.04948	1.2
237.05484	1.4
239.03513	8.0
241.01448	8.5
242.02058	1.3
243.03006	44.5
245.04449	1.0
255.03059	3.8
255.06898	1.2
257.04434	6.2
268.00262	1.8
269.00937	77.6
279.06848	1.3
281.04596	5.5
283.02521	26.8
284.03085	1.1
287.02014	1.0
295.02609	2.1
297.04202	3.6
305.04617	4.1
309.00421	1.4
321.03915	1.2
323.05661	5.3
325.03622	6.6
347.05569	1.1
349.03427	5.8
365.06796	2.0
373.02853	1.0
373.25967	4.3
391.04782	1.7
405.06226	66.3
409.05698	9.7
419.07742	4.4
435.03711	8.9
571.08942	69.8
572.08624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27723	0.8
55.71778	0.8
57.03448	1.1
59.01381	1.6
61.98854	0.9
63.02372	1.0
65.00333	8.8
65.04028	0.7
72.90281	0.9
75.54496	0.9
81.03429	1.2
83.01396	4.4
93.05651	0.9
107.01392	14.6
109.02985	7.5
125.02459	4.4
133.02943	1.6
134.03773	2.2
135.04526	81.6
137.02484	1.0
151.00386	36.6
159.04558	1.3
161.02458	4.1
171.04550	4.1
173.02370	1.5
182.76576	1.0
183.04491	5.8
187.03998	1.5
193.01364	1.7
211.04039	7.3
213.01836	1.1
215.03523	2.1
227.03635	6.7
237.01990	1.1
239.03578	13.0
253.01410	1.0
255.02895	4.1
257.04590	10.7
268.00217	13.4
269.04617	1.7
281.04562	2.0
283.02502	100.0
284.03104	1.6
297.03989	4.3
301.03522	2.2
309.00412	8.2
309.03714	2.5
323.05624	2.2
325.03540	16.1
341.06992	1.3
349.03595	3.9
365.06882	1.2
367.04617	5.9
391.04712	1.8
409.06204	1.2
419.07748	24.2
435.03690	7.8
438.12088	1.4
445.05750	6.2
511.10580	1.1
571.08905	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.7
66.58946	2.7
71.01382	5.2
73.02959	3.7
78.95904	6.7
85.02959	2.7
85.73444	3.1
89.02438	6.8
98.25579	2.8
101.02426	5.6
106.98709	2.9
115.57777	3.3
123.04481	3.2
125.02445	5.6
137.02364	3.8
141.09190	5.7
151.04021	5.6
161.02480	7.1
253.09338	23.2
289.07123	5.5
315.19797	13.0
333.20764	100.0
365.55478	3.2
408.81586	3.9
569.29303	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	569.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.2
58.13735	1.5
59.01387	23.4
59.98722	1.1
62.70739	1.2
69.95829	1.2
71.01377	11.2
73.02961	1.0
76.13133	1.1
83.01403	1.2
86.94003	1.0
89.02467	8.1
95.01409	1.2
95.05031	2.5
97.02982	5.0
97.06601	1.8
98.03741	1.4
101.02442	8.8
109.06615	1.2
111.08206	1.3
113.02456	2.8
120.04555	19.3
121.04882	6.8
123.04570	5.4
125.02453	7.9
137.02452	2.6
139.07640	1.3
140.36420	1.2
141.09225	15.2
151.04044	2.6
152.01538	1.4
153.09248	1.2
154.71451	1.3
161.04631	2.4
163.11229	1.4
167.10886	1.7
207.13940	5.2
217.16057	5.8
237.15071	1.5
253.09302	19.1
271.20749	10.6
289.21768	6.1
315.19693	15.2
321.14676	4.8
333.20825	100.0
333.24844	3.5
334.21188	1.8
351.06750	1.4
569.30127	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	571.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29824	0.3
57.05225	0.3
58.47981	0.3
59.01396	0.9
60.01235	0.3
61.98851	0.8
63.02417	1.3
65.00336	11.0
68.00555	0.3
83.01391	4.2
100.41923	0.4
107.01397	13.4
108.99307	0.5
109.02959	8.2
116.09869	0.4
125.02462	4.1
133.02946	1.4
134.03754	2.4
135.04529	84.2
151.00383	42.9
159.04517	1.5
161.02437	3.7
163.03984	0.5
169.01404	0.7
169.02893	0.5
171.04547	2.5
172.01646	0.5
173.02446	2.4
177.01880	0.5
182.03833	0.6
183.04532	4.2
185.02451	0.9
187.03954	2.1
192.10464	0.4
193.01454	1.9
195.04607	0.8
197.02298	0.5
198.03271	0.4
199.04022	1.6
201.05534	0.9
203.03485	0.5
209.02565	0.4
211.04045	6.6
212.01215	0.6
213.01901	0.7
213.05603	0.6
215.03477	2.8
225.01923	0.7
225.05653	0.4
226.07802	0.3
227.03568	5.7
229.05037	0.6
237.01898	0.7
237.05577	0.5
239.03511	10.7
241.01443	0.8
242.02182	1.8
253.01477	0.8
253.05110	0.8
255.03015	5.7
256.03598	0.4
257.04575	9.5
268.00137	11.8
269.04617	1.8
281.00861	1.4
281.04507	1.5
282.01538	0.4
283.02499	100.0
284.03137	2.1
293.04642	0.6
295.02484	0.7
297.04092	3.3
301.03552	3.4
309.00439	8.6
309.04077	3.6
321.04044	0.7
323.02185	0.6
323.05655	3.5
325.03589	14.9
339.05032	0.7
341.06732	0.6
347.05579	0.4
349.03607	5.4
363.05237	0.4
365.06818	1.7
367.04590	6.2
391.04468	2.6
395.55200	0.4
401.06671	2.6
407.04468	0.5
409.05817	1.7
419.07751	25.3
420.08438	0.5
435.03638	7.7
445.05637	4.5
571.08911	75.1
572.09314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89279	2.0
54.39524	2.4
54.82566	2.5
55.01897	4.4
57.03461	3.9
59.01384	91.6
63.99117	2.1
71.01384	36.3
83.01388	3.9
85.02971	10.1
86.00078	3.2
89.02444	38.9
91.56038	2.3
95.01374	5.5
96.95999	46.6
99.00900	16.0
99.04523	3.3
101.02450	29.8
113.02461	19.2
115.04025	3.8
119.03491	18.9
129.01921	3.6
143.57988	3.0
161.10165	2.5
199.31606	3.0
220.68024	2.9
279.10864	100.0
298.27014	2.8
300.89038	2.6
344.91830	3.1
577.48102	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	569.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82981	0.7
59.01389	26.1
71.01385	9.3
73.02963	1.7
78.06094	0.7
83.01393	3.0
85.02969	3.1
87.00929	0.7
87.12867	0.7
89.02448	0.8
91.85728	0.9
92.73311	0.7
93.03462	1.3
95.01383	1.0
96.96014	22.4
101.02444	3.6
113.02477	4.0
119.03461	1.1
119.05025	1.3
121.02946	10.1
122.03757	3.7
123.04520	3.8
125.02431	0.9
133.02940	1.3
134.03749	22.4
135.04512	1.8
135.12939	0.7
136.01665	96.9
137.02443	1.4
149.02452	17.0
149.06088	17.1
150.03241	48.9
151.04022	100.0
152.04469	0.9
161.02461	1.1
164.04816	4.5
165.05569	47.6
179.03583	0.7
180.04311	3.5
181.05124	3.3
193.05107	4.4
195.06624	13.9
211.06107	0.8
223.03897	1.1
224.04736	0.8
235.04021	1.1
236.04858	3.8
239.07086	0.8
241.05038	1.6
252.04337	5.5
255.06625	3.4
256.07410	1.5
267.06659	1.5
282.09052	1.7
284.06894	6.6
297.11496	1.6
299.09280	15.2
337.07880	1.1
341.10355	1.6
359.11441	7.2
389.12225	1.0
400.77548	1.0
407.13525	79.5
408.13712	1.2
429.60098	0.8
569.19226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
71.01380	0.1
79.95738	1.7
85.02948	0.1
96.62530	0.1
96.96005	100.0
98.95604	0.1
113.02430	0.2
116.92869	0.2
125.02441	0.5
133.02899	0.1
135.04553	0.2
137.02565	0.1
144.01530	0.1
161.02417	0.8
190.68147	0.1
224.50937	0.1
282.11322	0.1
321.15656	0.1
341.08759	0.2
388.11966	0.1
397.98721	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	569.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	26.9
61.98846	1.2
71.01385	8.2
73.02985	2.0
73.05939	1.1
74.46861	1.0
76.36677	1.2
78.91891	1.8
83.01394	1.6
85.02961	5.4
87.00890	2.4
89.02441	2.3
92.10125	1.5
93.03448	1.2
93.16724	1.0
96.96010	26.8
101.02435	2.1
102.71780	1.1
108.02230	1.6
109.02969	1.8
113.02460	6.8
115.00376	4.7
119.05000	6.0
121.02969	10.8
122.03735	4.5
123.04538	1.6
125.02369	1.7
134.03725	17.8
135.04510	2.8
136.01665	100.0
137.02452	1.4
149.02437	18.7
149.06090	16.5
150.03232	47.5
151.04016	97.5
159.04434	1.2
161.02448	2.4
163.04063	4.6
163.34918	1.1
164.04764	2.5
165.05571	47.4
167.22119	1.2
175.02527	12.6
178.02692	1.1
179.03612	1.4
180.04306	2.4
181.05019	1.6
193.05049	6.1
195.06622	14.7
211.06067	2.0
217.04958	1.6
225.05643	1.5
236.04778	1.6
241.04903	1.4
252.04327	5.8
255.06686	1.8
267.06650	4.7
284.06845	6.3
297.11414	1.2
299.09338	18.4
337.07773	2.1
341.10199	1.4
359.11423	7.8
400.03207	1.5
407.13541	76.2
477.06186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89320	0.4
53.30561	0.4
55.01884	0.6
59.01388	4.4
68.03828	0.5
68.99811	0.9
71.01384	2.4
75.00872	0.8
83.01392	14.4
85.02955	1.1
87.00877	0.9
93.03446	13.7
96.96001	8.6
99.00859	4.7
107.05008	0.6
109.02985	0.8
111.00839	0.9
113.02469	1.8
115.00371	10.6
117.03457	5.5
119.05024	10.0
121.02937	1.0
121.06560	0.6
123.04491	0.7
125.02423	2.4
127.00414	0.7
129.01939	1.1
131.05000	3.7
132.05809	2.5
133.02939	2.1
133.06589	100.0
134.03711	3.1
134.06880	0.7
135.04506	3.8
137.02444	0.8
139.00395	0.6
143.05057	2.1
145.02960	13.2
145.06593	4.4
147.04530	11.5
149.06090	10.7
150.03204	0.9
151.00381	0.8
156.05803	0.8
158.03763	1.8
159.04510	6.0
161.02440	3.7
161.06107	5.0
163.03966	0.8
165.01813	0.6
165.05528	3.7
167.03545	0.6
169.06625	0.7
171.04517	1.2
171.08153	3.4
172.05223	0.6
173.06079	3.7
175.03963	0.7
175.07591	0.6
177.05569	31.9
185.06097	0.6
187.04025	6.8
187.07614	3.2
189.05547	3.7
190.02650	1.1
191.07071	0.8
193.05075	3.9
195.03009	0.7
195.04935	0.7
199.04008	0.7
201.05733	0.6
203.07150	0.8
207.06612	2.5
214.06738	0.5
215.03609	0.8
215.07220	6.6
217.05093	11.0
221.04572	38.5
231.06607	2.8
243.02982	0.9
257.04645	0.6
258.93240	0.5
259.06082	3.2
261.04089	14.6
275.05603	7.2
277.07141	1.9
303.05142	16.5
321.06165	4.3
328.73904	0.6
347.11203	1.0
407.09583	0.9
419.13562	0.7
425.10953	24.4
435.13040	0.8
445.27457	0.6
463.12631	0.7
465.10333	0.7
479.12167	1.0
507.11478	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	567.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52642	0.6
57.03454	3.8
58.00562	0.7
59.01384	21.1
71.01389	10.5
72.99310	1.8
73.02950	5.4
75.00875	49.6
85.02530	0.8
85.02953	5.9
87.00884	5.9
87.04500	0.9
89.02451	3.0
92.10793	0.7
99.00879	16.3
101.02447	4.4
103.04350	0.8
106.06625	13.5
111.00905	1.3
113.02445	1.2
118.06634	7.0
120.04520	1.3
129.01941	27.7
130.27289	0.7
134.03757	3.1
134.06122	66.5
136.01590	1.1
136.07684	13.2
140.07220	1.0
148.07654	0.7
158.74896	0.8
159.02995	12.1
159.04297	1.2
160.05315	1.1
162.05574	6.9
164.07211	0.7
172.05305	8.1
173.06036	1.7
177.04008	1.1
178.05087	15.7
178.08620	0.8
180.06682	12.6
186.06953	0.8
187.03993	1.9
192.06705	6.2
194.08110	1.2
195.05113	100.0
195.63495	0.8
196.05482	0.9
197.06071	1.1
199.03981	3.6
200.04776	2.8
201.05551	1.1
202.06270	1.4
220.06145	4.9
220.96678	0.7
222.07722	7.5
222.60815	0.7
227.03493	13.1
228.04431	5.4
229.08701	1.0
283.13400	36.6
301.14502	8.0
309.14969	9.5
311.12997	1.8
322.09332	0.9
327.16016	5.1
329.13968	2.9
345.13358	1.3
345.17139	13.0
353.14008	3.9
371.15024	52.0
382.11475	11.7
384.13098	2.8
567.20837	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	567.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.2
59.01398	4.8
61.98840	14.7
64.29124	3.2
66.36231	3.1
72.20457	3.2
72.91758	3.7
106.10681	3.4
121.06789	3.5
123.04449	3.8
125.09723	4.7
153.09250	4.7
163.11325	4.8
171.10300	6.7
185.11847	4.7
191.14478	6.4
195.13904	5.0
216.53325	3.5
223.13469	29.3
245.19109	20.6
289.18179	67.1
307.19183	100.0
325.20273	32.0
383.77209	4.1
506.67706	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	567.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82392	0.4
57.03458	8.1
58.63400	0.4
59.01388	36.7
68.14138	0.4
69.03442	1.5
71.01380	5.3
71.05048	0.6
71.10011	0.4
72.02187	0.7
72.99364	0.5
73.02943	0.8
75.00872	7.8
85.02951	14.2
85.06591	5.4
87.00897	1.8
95.05022	0.6
97.06613	0.9
99.00904	2.4
99.04512	0.5
99.08160	6.2
101.02451	0.7
107.05031	1.9
109.06619	0.6
111.08164	59.0
122.03734	0.5
125.06083	2.2
129.01929	7.4
129.09224	1.9
132.02238	0.5
133.02979	2.3
134.03731	4.0
135.04503	2.3
136.01662	0.7
137.02441	1.8
143.10786	4.7
147.04485	0.6
149.06088	0.5
150.03267	1.7
151.03983	0.5
151.11307	1.7
159.02988	0.9
159.04384	0.6
160.05272	0.8
161.02440	0.8
165.05582	0.6
169.12404	1.5
172.05302	1.0
173.06038	0.7
174.03256	0.5
177.01985	0.8
177.04050	1.6
178.02676	1.0
182.20872	0.6
187.03984	0.8
187.13409	53.5
188.13809	0.4
195.05119	12.2
195.06744	0.7
199.03983	0.6
200.04897	0.7
201.09273	0.6
211.07698	0.5
211.13380	1.0
211.15071	0.7
213.12830	0.5
220.03844	0.5
221.09753	0.5
227.03519	0.7
229.08734	2.6
231.13855	0.6
233.15488	0.7
239.41893	0.5
247.17192	0.5
249.15134	0.6
250.12053	0.8
255.13850	0.5
257.08279	2.1
257.15558	0.5
265.08737	0.6
265.15988	0.8
267.13855	2.7
273.14935	2.6
283.13470	6.9
283.17059	3.4
285.14966	2.6
299.16678	0.8
301.14505	2.8
301.18140	8.3
309.14975	4.0
311.12921	0.6
319.19235	14.7
327.16113	2.5
332.57236	0.5
345.17053	4.2
353.14139	0.8
371.14993	5.8
389.16147	0.6
395.26236	0.5
413.26913	1.8
431.28040	0.6
437.14493	1.0
471.31039	0.8
489.32309	1.9
491.29648	0.6
507.33353	100.0
508.33701	2.7
535.18365	0.9
567.21051	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	567.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82564	0.5
56.51192	0.5
57.03457	3.2
57.22388	0.5
59.01384	8.5
61.01762	0.4
71.01379	7.9
72.99307	2.2
74.30602	0.5
75.00868	51.8
78.65032	0.6
85.02958	5.4
87.00867	7.3
89.02444	3.5
95.29310	0.5
99.00880	18.2
101.02430	0.9
110.67171	0.5
111.00900	2.2
111.41825	0.6
117.03558	0.6
122.18594	0.5
129.01935	24.1
134.03716	0.8
159.03026	14.1
159.04408	1.3
160.05298	1.2
169.61981	0.6
172.05301	10.9
173.06126	1.1
174.06848	0.7
177.04097	1.2
185.06097	1.1
186.06857	0.8
187.04066	2.5
195.05110	100.0
197.06065	2.3
198.07028	0.8
199.03992	4.0
200.04836	3.1
201.05650	0.5
202.06326	0.9
204.04247	1.2
211.04155	0.6
227.03534	17.9
228.04285	7.5
244.18187	0.5
267.13828	0.9
283.06213	0.9
283.13409	36.8
283.16623	1.3
301.14465	8.3
309.15024	11.3
311.05688	2.2
311.12842	3.0
325.14511	3.2
327.16022	8.1
329.14102	3.1
345.17084	9.2
353.13977	5.7
371.15021	53.9
389.11804	0.6
549.19928	0.7
567.12537	0.8
567.20874	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	567.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
59.01379	21.9
59.43196	1.1
63.49231	1.1
71.01382	12.5
72.99323	2.8
73.02933	1.5
73.04367	1.0
75.00870	50.9
85.02954	8.7
87.00893	7.7
89.02454	1.9
89.26187	1.0
92.10854	1.2
99.00884	15.7
101.02444	2.7
106.06640	10.7
111.00903	1.1
111.21910	1.1
118.06638	5.7
129.01941	28.5
133.02945	1.8
134.03799	8.2
134.06129	62.0
135.04491	1.6
136.01665	6.5
136.07715	8.4
137.02454	2.6
158.87193	1.0
159.03021	11.5
159.04234	1.5
160.05347	1.6
161.02475	1.6
162.05618	2.5
172.05319	8.2
173.06091	1.1
177.01883	1.9
178.05115	26.4
180.06633	5.4
185.06052	1.5
187.04041	1.9
187.07655	1.4
192.06621	11.5
195.05113	100.0
197.06111	1.9
199.04048	2.3
200.04892	2.1
201.05673	1.2
202.06450	2.0
211.13383	1.3
214.06425	1.2
220.06149	6.9
222.07779	2.4
227.03548	13.5
228.04289	5.9
233.61487	1.2
235.93648	1.1
257.15442	1.5
283.13440	31.8
295.30692	1.1
299.16772	1.4
301.14502	8.6
309.14993	8.6
311.12817	1.7
319.19431	1.3
327.12579	2.4
327.16068	7.7
345.17032	16.0
353.13971	6.4
371.15054	47.3
382.11588	8.4
507.33505	6.4
567.20856	10.1
578.73676	1.4
583.10236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01384	7.8
71.01376	4.2
72.99315	1.1
73.02943	3.5
75.00867	7.8
79.20867	0.2
83.01379	0.9
85.02942	2.9
85.83687	0.2
87.00867	1.0
88.30470	0.3
89.02448	1.1
95.01398	0.3
99.00877	2.3
101.02418	1.9
103.04272	2.2
106.06622	17.8
110.02470	0.5
111.00871	0.3
113.02448	2.2
116.05025	0.2
118.06622	8.4
120.04546	1.1
120.08166	1.0
122.06107	0.5
124.80773	0.3
129.01936	4.1
129.17210	0.2
130.06592	0.3
133.03021	0.4
134.06116	100.0
135.06444	0.8
136.01624	0.5
136.07674	13.6
138.05577	0.4
140.07188	1.6
143.03461	0.3
145.30365	0.2
146.06110	0.6
148.07677	2.0
150.05646	0.4
159.02982	2.5
159.04346	0.4
160.07657	0.3
161.04509	0.3
162.05595	4.8
164.07179	1.1
172.05270	1.3
174.05585	1.4
176.07164	0.5
177.04083	0.4
178.05098	38.3
178.08682	1.4
180.06667	12.2
180.08257	0.4
187.04051	0.3
192.06670	13.8
194.08235	1.0
195.05115	13.6
199.03883	0.3
201.33331	0.3
204.06624	0.6
220.04117	0.5
220.06166	9.9
222.07738	3.9
227.03421	1.0
228.04326	0.4
232.06064	0.4
238.98270	0.2
249.57004	0.2
281.15381	0.3
283.13489	4.5
283.16708	0.4
301.14490	1.0
309.14938	2.2
311.12808	0.3
322.09384	2.0
324.10852	0.4
327.15939	1.9
329.14145	0.3
345.17056	2.0
353.08661	0.3
353.13831	1.1
371.15076	6.7
382.11505	16.8
383.11520	0.3
384.13107	0.9
396.86176	0.2
452.26053	0.3
567.20697	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	567.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10437	0.5
52.00833	0.5
59.01395	4.4
71.01383	0.8
71.09448	0.6
72.35435	0.6
73.02943	1.3
74.10011	0.6
77.15387	0.6
83.01389	0.9
89.02460	0.7
92.10768	3.1
96.96009	3.9
101.02452	0.9
101.08039	0.7
108.39111	0.6
125.02460	0.9
134.03745	3.3
136.01665	11.3
137.02460	2.3
138.97052	1.0
149.06122	3.0
151.04015	8.7
161.02475	1.2
170.20335	0.6
185.06007	2.8
195.04471	0.9
197.06105	1.5
200.75751	0.7
212.04826	2.8
213.05606	18.4
223.04021	2.7
224.04811	0.9
240.04190	1.5
241.05080	96.5
255.06696	2.6
256.07425	66.8
270.09018	1.3
271.09778	100.0
319.11899	19.3
352.21344	0.6
475.16891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26815	0.4
52.65442	0.4
59.01386	14.3
61.58009	0.4
68.99850	0.5
71.01392	6.3
73.02945	0.5
75.00908	0.5
75.32897	0.5
80.62540	0.5
83.01407	0.8
85.02974	4.8
87.00896	1.2
89.02478	2.7
89.87576	0.5
90.29494	0.5
96.96028	2.7
101.02408	4.5
103.24210	0.5
108.02247	0.7
109.02986	1.2
109.57522	0.6
110.70838	0.7
113.02448	3.8
116.92881	3.5
121.02920	4.1
123.00863	0.6
123.04507	0.6
125.02478	1.0
128.27557	0.5
129.01926	3.9
132.40976	0.5
135.04549	0.7
137.02419	1.1
137.89795	0.6
145.02943	1.4
146.03752	0.6
153.01956	2.9
159.04530	0.9
161.02504	1.0
163.04094	0.7
165.01923	2.4
167.03528	0.8
167.04906	0.6
172.05223	0.7
173.06110	1.0
179.03461	0.8
181.06566	1.0
182.44502	0.6
183.04465	1.0
185.06125	1.1
187.04105	2.0
187.07654	2.2
195.04721	1.3
196.05325	1.1
197.06114	5.7
200.04849	0.8
201.05627	0.7
208.05380	1.0
209.04553	2.8
209.06143	3.4
211.04143	1.0
212.03227	2.3
213.05602	9.8
215.07133	1.3
223.03917	2.0
224.04816	5.2
225.05606	12.8
231.10371	1.0
233.08086	0.8
235.04068	0.8
236.04829	2.1
237.05576	4.5
238.06471	0.5
239.03575	2.0
239.07233	1.1
240.04305	3.7
241.05069	36.0
242.05573	0.7
249.11458	0.7
251.03423	0.8
251.07135	2.9
252.07939	0.7
253.05083	20.8
255.06610	2.9
256.07431	15.2
257.08255	2.1
267.02847	1.3
267.06659	2.7
268.04272	0.7
268.07468	5.8
269.04614	12.1
269.07608	0.9
271.06552	1.5
271.09763	4.0
281.04544	5.8
282.05386	2.2
283.06165	4.3
283.09799	2.6
284.06833	4.5
285.04105	4.0
295.06042	2.8
296.06900	12.1
297.04083	40.1
297.07486	4.0
299.05511	1.0
300.06384	14.7
311.05719	7.7
312.06418	36.3
314.08148	0.8
315.08774	64.3
316.09039	1.0
327.08774	100.0
328.09140	1.2
338.08087	0.9
345.09839	22.1
345.13724	1.1
345.16913	0.9
354.07489	1.1
357.09995	2.6
369.09723	4.2
489.13669	0.8
507.15076	11.2
523.27698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79392	1.0
55.01894	6.7
57.03460	4.2
58.00613	3.9
59.01387	100.0
65.03986	2.2
67.01889	1.4
68.03204	0.9
68.99830	1.1
69.03456	7.2
71.01384	30.5
71.05033	7.8
72.99317	1.8
73.02958	4.8
81.03454	23.3
83.01387	15.3
83.05051	5.6
84.02169	2.4
85.02950	92.0
87.00890	5.0
89.02438	20.7
92.10839	1.3
93.03440	1.3
95.01388	4.0
95.05002	1.0
95.18177	1.0
97.02969	6.7
99.00883	5.2
99.04519	34.8
101.02436	38.4
109.02955	4.8
111.00880	48.2
111.04514	2.0
113.02447	18.4
119.03483	7.3
123.04534	1.6
127.04017	30.1
127.04864	1.2
129.01938	84.2
130.41402	1.3
139.04031	4.4
161.04579	1.8
171.02985	4.2
179.05602	3.8
234.63403	1.1
248.80118	1.1
291.07245	66.0
353.03705	1.0
354.70996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60085	0.7
57.03465	1.0
58.79017	0.8
58.94307	0.7
59.01396	5.3
59.31476	0.6
59.82208	0.9
64.77880	0.8
71.01411	3.5
73.02959	3.8
73.81120	0.8
75.00881	1.2
85.02973	1.1
87.00874	1.3
89.28486	0.8
93.43967	1.0
96.96003	100.0
101.02441	1.2
108.02181	12.7
109.02976	2.1
113.02438	1.2
121.02934	9.1
122.03757	7.6
123.04523	11.2
125.02431	6.5
133.02979	2.0
135.04546	3.5
137.02466	1.3
137.27914	0.8
149.02431	20.2
150.03227	54.0
151.00369	1.6
151.04001	1.8
152.01160	25.1
161.02480	5.0
164.04834	3.6
165.05571	62.5
166.02710	1.9
167.03493	43.3
179.03593	1.1
180.04291	4.1
195.04996	1.6
195.06648	23.1
199.25215	0.8
209.04561	5.7
226.14355	1.0
229.05327	0.9
237.98700	0.9
252.19263	0.9
256.07477	5.4
271.09723	1.2
282.56311	0.9
314.74103	1.1
315.08749	12.7
357.09833	1.2
363.10876	18.3
371.09894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57626	0.7
61.98832	100.0
67.37817	0.8
78.95897	8.2
96.96019	1.7
96.96967	3.7
133.02972	6.2
135.04506	7.4
158.92590	1.1
161.01105	1.7
161.02458	52.4
179.03539	9.6
228.93770	0.9
316.32214	1.0
341.08813	24.3
367.40558	1.0
503.14313	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	567.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16949	0.7
57.03454	1.7
59.01382	12.2
62.11235	0.8
65.03967	2.1
67.01898	1.8
69.03481	0.9
71.01389	4.1
73.02934	1.8
75.00867	1.6
77.85851	0.8
79.00452	0.9
80.11037	0.9
81.03486	0.9
83.01395	4.4
83.05032	1.7
85.02960	6.2
86.12193	0.8
87.00874	14.5
89.02464	1.1
90.57234	0.8
93.03436	9.4
96.96017	2.2
99.04565	1.2
101.02456	5.6
107.05042	14.1
109.02968	12.2
113.02449	3.3
119.05025	25.7
121.02953	1.7
123.04540	1.4
125.02461	13.3
129.01933	10.3
133.02972	5.4
134.03773	6.9
134.06097	1.0
135.04541	4.4
136.01653	1.4
137.02448	47.4
149.02428	3.5
150.03227	1.5
151.04022	100.0
152.04434	1.1
153.01942	2.2
159.04536	2.0
161.02477	8.2
163.03970	1.1
164.01143	9.4
165.01918	1.8
169.06706	1.5
171.04550	1.4
172.05321	2.2
173.06091	6.7
174.03120	1.0
175.03972	1.4
177.01945	22.0
177.04164	1.3
179.03500	1.3
187.03972	4.7
187.07690	12.0
189.05594	1.7
195.03030	1.1
195.05045	3.6
200.04836	1.4
201.05551	1.9
201.09163	1.0
203.07153	1.2
211.07703	4.2
213.05624	2.0
213.09268	1.9
215.07141	6.6
219.23488	0.9
227.07211	1.4
229.08723	1.9
231.10252	1.8
233.08359	1.0
239.07152	1.2
249.11426	1.5
253.08836	1.2
255.06682	14.4
257.08228	29.3
265.05280	1.1
267.06628	8.0
271.06158	1.8
275.09286	1.5
284.06793	1.6
285.07712	12.0
327.15982	1.9
345.17123	1.5
371.14874	1.6
372.61050	0.9
373.10663	1.1
391.11914	42.1
405.25723	1.3
432.19464	1.0
435.10889	32.2
485.39481	1.2
523.27643	2.1
549.16174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2296
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
51.64034	0.8
53.75200	0.8
55.01884	4.3
57.03453	4.8
59.01385	46.8
63.32026	0.9
63.78252	0.9
70.17842	1.1
71.01379	29.9
71.01769	1.1
72.99335	1.1
73.02946	9.4
83.01416	4.0
85.02937	15.5
87.00890	2.2
89.02447	8.7
92.10113	2.5
93.03468	1.5
94.13999	1.1
94.18546	1.1
95.01387	5.2
99.00859	1.6
101.02432	11.6
108.02139	1.6
109.02964	6.9
113.02457	13.1
116.92858	9.5
119.03513	1.4
121.02956	24.2
122.03750	19.6
123.04494	5.0
124.01705	1.2
125.02387	1.0
129.01854	1.0
135.04515	5.3
136.05260	2.0
136.11577	1.1
137.02454	2.2
147.04536	13.7
147.18076	1.1
148.05295	2.2
149.06136	2.3
154.02722	1.9
161.02451	2.3
161.06062	6.5
162.06897	2.4
164.04784	1.1
165.05579	37.2
173.06064	1.7
174.06847	1.3
175.07626	1.7
179.05765	1.6
179.07144	10.9
187.07642	1.6
191.07156	3.7
211.51599	1.0
268.43326	1.2
298.12088	5.4
313.14587	8.4
315.12408	2.1
323.87061	1.2
325.77951	1.2
328.13232	5.8
329.14038	1.5
343.15582	13.9
346.14224	12.2
347.15237	3.3
357.13525	1.8
361.16656	68.5
454.50507	1.0
466.41345	1.0
505.20892	100.0
506.21170	2.4
523.21924	46.2
535.69189	1.1
565.23096	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	565.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.0
55.29256	0.6
56.06840	0.5
57.03455	21.0
59.01385	16.6
61.26643	0.4
67.01896	1.5
70.87640	0.6
71.01376	10.4
71.25614	0.6
72.99310	2.7
73.02940	1.2
75.00879	2.6
80.21692	0.5
82.97539	0.7
83.01383	7.9
85.02950	6.7
87.00874	100.0
89.02439	4.7
99.00867	6.9
101.02445	8.8
111.00873	8.6
117.01875	0.6
119.03486	1.1
129.01941	27.4
130.99806	0.7
143.03484	1.2
144.45294	0.7
147.03006	21.1
153.24019	0.6
191.01988	37.6
223.02701	0.6
223.04646	5.4
257.59256	0.7
275.65137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0487
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
58.65425	0.2
58.87067	0.1
59.01386	0.4
62.96424	0.3
73.90320	0.2
77.50548	0.2
78.95901	100.0
93.37231	0.2
96.96067	1.8
96.96957	38.7
99.41747	0.2
111.02004	10.0
118.21478	0.2
120.96970	2.3
121.72353	0.2
138.98029	3.3
150.98038	2.7
158.92545	18.1
162.97971	0.2
164.03532	0.3
174.98033	1.4
175.54398	0.2
176.93561	1.1
192.99083	1.6
201.02635	0.3
211.00182	4.2
214.49301	0.2
240.98996	0.3
241.01219	6.7
272.93106	0.3
272.95779	4.7
280.02249	1.5
305.01895	1.1
320.97995	1.5
323.02902	37.1
384.98465	3.3
402.99475	0.4
483.79291	0.2
488.86575	0.2
553.00671	0.2
565.04877	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	565.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27519	0.3
54.23165	0.4
54.71175	0.3
57.03457	0.7
59.01388	5.2
71.01389	1.7
72.99294	0.6
73.02948	0.7
75.00881	0.7
78.95910	0.7
85.02945	3.0
87.00890	0.6
92.10194	0.4
95.01406	0.5
96.96003	0.7
101.02429	0.7
109.02962	0.8
111.00902	1.6
113.02454	2.5
119.05019	2.2
123.00859	0.4
123.04498	1.4
125.02483	1.0
129.01935	0.8
131.01401	0.5
133.02924	0.8
134.03725	0.5
135.04515	12.4
135.05499	0.6
137.02441	0.7
137.64169	0.5
138.03275	0.5
139.00394	6.1
140.01158	17.3
146.03711	0.8
146.70366	0.5
147.00891	12.0
148.01683	1.0
149.02496	0.5
149.99597	0.9
151.00392	0.6
153.01984	3.3
154.02702	0.7
155.03517	3.2
159.04535	0.6
160.01646	3.7
161.02451	3.0
165.01953	1.0
171.04419	0.9
171.10367	0.4
172.05325	0.6
174.03247	2.2
175.00372	100.0
175.03883	1.8
176.01059	2.4
185.02655	0.6
186.03238	0.5
187.07727	0.5
189.01942	0.6
190.02742	27.8
191.03523	1.7
191.05612	2.3
192.06035	0.8
195.05063	2.4
197.06113	0.6
199.04036	1.5
200.04839	0.9
201.09171	1.7
203.03638	0.4
203.10760	1.6
207.02924	0.6
213.05632	0.7
215.03494	0.5
227.03485	4.1
229.08662	4.3
229.13277	0.5
231.03050	2.0
240.04448	0.8
241.05086	1.6
243.03084	2.1
255.02992	4.8
255.06604	0.5
255.99998	0.5
257.04501	0.6
257.08246	4.9
269.00974	2.5
270.05344	0.5
271.02512	3.4
275.09317	0.6
283.06073	2.1
286.04874	1.7
297.07941	0.5
299.01971	1.0
307.06122	1.5
314.04312	7.2
325.07288	0.7
325.14713	0.5
329.06714	48.4
330.07135	0.5
343.15643	1.0
361.09390	1.9
361.84583	0.4
369.13495	0.8
393.06201	3.4
405.05505	0.5
419.13632	2.4
481.74979	0.5
529.11432	9.4
533.16907	5.2
565.09503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24017	0.4
59.01401	1.0
59.94931	0.4
61.70167	0.4
70.03555	0.4
71.01378	0.5
73.70315	0.4
75.00871	0.6
85.02977	1.0
99.92576	6.0
105.34588	0.4
109.02949	0.6
113.02465	0.5
116.92852	100.0
117.92889	0.7
133.02942	0.8
161.73917	0.4
163.03928	0.5
177.01842	0.5
201.20816	0.4
257.04660	0.7
285.03937	0.6
287.09232	1.0
297.03946	0.6
299.05637	0.7
327.05127	3.9
447.09247	1.0
547.01855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0483
Annotation	UDP-alpha-D-galactose
Peak:m/z	Relative Intensity
57.03443	0.4
59.01377	0.7
61.11250	0.5
61.68699	0.5
68.60448	0.5
70.49775	0.5
71.01340	0.5
73.95205	0.4
78.95901	100.0
87.00874	3.8
92.10120	0.5
96.96042	4.8
96.96954	40.3
111.00867	0.7
111.02010	9.6
120.96966	2.5
121.03567	0.5
129.01918	1.9
138.98000	4.6
148.11734	0.5
150.97993	3.2
158.51167	0.5
158.92538	15.5
163.03912	0.5
174.98009	1.0
176.93555	0.8
191.01941	1.1
192.98973	1.0
211.00209	4.7
220.05057	0.6
224.16188	0.6
241.01228	7.2
272.95700	5.5
280.02316	1.2
281.69199	0.5
320.97775	1.0
323.02887	41.2
384.98370	2.4
396.24576	0.6
396.45737	0.5
396.82184	0.7
402.99573	0.9
456.29245	0.6
553.54340	0.6
564.96466	0.9
565.04767	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	563.2635
Annotation	Morinol A
Peak:m/z	Relative Intensity
51.44590	14.3
51.58409	15.2
57.67405	16.0
59.01387	96.9
59.83025	14.4
60.58267	17.0
61.16151	16.5
71.01378	21.1
78.95884	22.8
86.61065	16.9
90.27308	17.3
91.87603	16.4
99.44214	16.7
107.74744	16.8
109.02917	20.1
123.04475	22.8
125.02451	32.4
133.02902	20.0
230.62711	22.2
291.19659	66.7
363.33609	23.2
563.26239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29508	39.2
58.94062	34.0
59.01391	100.0
72.55708	35.9
78.95922	57.3
99.79598	42.9
110.28942	38.6
133.02953	55.7
137.02460	48.7
161.32904	48.7
172.96112	44.5
374.06552	46.9
390.41116	49.5
545.08032	51.7
563.26367	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	55.3
88.72034	4.0
96.97005	3.9
100.03976	3.4
110.92458	3.4
117.91151	3.5
118.70788	4.1
129.54161	3.0
152.99608	78.5
171.00632	20.3
171.35469	4.1
240.96466	3.6
245.04337	84.7
253.21718	32.7
349.15485	4.0
481.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.6
59.01386	100.0
65.90378	1.8
70.28035	1.8
70.93066	1.7
71.01385	32.0
73.02944	53.2
82.51007	1.8
83.01400	16.3
85.02971	8.2
87.00908	2.0
88.98841	2.7
89.02460	7.1
92.10103	1.9
93.03458	2.0
96.96014	17.0
101.02443	36.7
113.02473	17.9
119.05064	11.7
121.08102	1.9
125.02451	4.3
131.03548	2.8
145.03033	3.7
151.00441	3.8
161.02487	8.0
161.04597	4.6
163.04079	2.0
165.01990	2.3
167.03468	3.3
167.33636	1.8
167.74576	1.7
179.07149	36.1
191.05698	3.3
195.04941	1.7
199.04150	2.3
220.33107	2.0
255.10393	4.0
267.10336	2.2
270.12650	2.4
278.05045	3.2
283.09766	28.1
296.10410	2.2
310.11853	2.6
311.09286	63.6
325.10904	4.2
326.11597	34.7
341.13931	44.5
359.15115	4.6
503.19110	7.5
513.64276	2.2
527.25439	6.5
538.59637	2.2
563.22070	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25543	0.7
57.03441	0.6
58.84125	0.6
59.01384	5.1
71.01400	1.3
85.02980	1.0
96.96014	0.8
101.02459	1.2
109.02947	5.1
113.02451	1.0
121.02987	9.0
122.03786	0.9
123.00900	0.8
123.04494	1.2
124.01637	0.8
125.02457	0.9
133.02977	4.2
135.04480	5.4
136.05255	0.8
137.02446	1.1
142.38339	0.9
146.03754	1.5
147.04520	4.3
149.02457	1.7
150.03265	5.9
151.00410	1.3
151.04012	0.8
153.01947	4.6
153.40601	0.7
158.03716	3.4
159.04498	11.5
160.05299	37.6
161.02472	6.5
161.06078	10.5
163.04015	6.3
164.01141	1.6
164.04797	6.7
173.06046	4.3
175.04002	1.1
175.07649	30.4
177.05553	8.8
178.06367	10.1
179.03510	1.0
179.07060	0.9
192.07854	1.0
193.08615	2.6
195.02994	2.8
199.61266	0.6
228.04068	0.7
237.09207	0.7
237.60175	0.7
240.04268	1.2
241.05057	3.8
243.06711	1.3
255.04994	1.6
256.33838	0.8
267.02994	1.6
269.05020	1.3
269.08215	11.9
271.09741	1.2
281.08212	4.3
283.09753	4.4
299.09320	8.6
311.01913	0.8
311.09314	11.1
313.03751	1.0
314.11621	15.2
326.11691	5.0
329.13980	100.0
330.14420	1.7
341.10507	1.2
341.13937	10.7
353.10538	0.7
356.12643	1.3
368.12848	1.0
371.14996	4.0
383.14880	1.0
427.08832	1.4
535.23285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24905	0.8
53.37696	1.0
56.06892	0.8
57.03455	1.0
59.01388	5.2
60.19783	0.9
63.10638	0.9
69.03486	1.0
71.01367	1.4
85.02939	8.2
85.80524	0.9
87.00888	1.5
89.24318	1.0
93.03439	14.3
108.02192	2.2
109.02980	2.1
111.04547	1.5
121.02907	3.1
122.55939	1.1
124.01682	6.5
125.02453	4.2
133.02971	5.2
134.03735	6.5
135.04536	100.0
137.02467	1.8
150.03207	2.2
151.02974	1.1
151.04018	8.3
152.43776	1.0
154.79907	1.0
158.03639	1.1
161.02460	2.3
162.03183	1.2
173.04594	2.5
178.02792	1.5
179.03545	26.0
180.04167	1.2
191.05650	61.0
279.24738	1.1
283.13431	1.7
307.08325	1.2
308.09106	8.9
309.15036	4.3
315.25613	1.2
325.14240	1.2
327.16129	6.8
343.15588	2.2
352.08051	8.3
353.14041	3.9
371.15118	31.7
448.38641	1.1
519.31946	4.6
563.21075	9.0
593.54468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52749	1.6
58.02984	18.7
59.01397	3.2
59.69996	1.7
62.17247	1.9
68.50570	2.3
74.02474	38.7
75.78512	1.9
78.95956	2.1
85.02927	2.0
87.00846	2.1
88.30116	2.0
95.48375	1.9
96.95999	2.7
99.05639	31.3
102.89857	2.1
112.04035	29.3
119.51621	1.9
123.05643	3.3
131.04616	5.1
135.91031	2.0
143.04620	97.9
158.19588	2.0
160.00665	2.5
176.52098	2.1
177.01831	3.6
177.03391	100.0
356.09207	4.1
395.75613	2.2
437.04456	2.3
472.43393	2.3
476.13669	2.4
518.14423	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03213	0.3
52.45789	0.4
52.87541	0.3
54.32235	0.4
54.34301	0.4
55.18839	0.4
58.90237	0.4
59.01382	3.3
65.00329	3.6
66.49583	0.4
67.01894	0.5
68.99807	0.4
69.13870	0.4
71.01381	1.0
74.88966	0.4
78.04575	0.4
85.02944	8.9
87.00869	1.2
89.00358	0.5
89.02419	0.6
91.01888	0.6
93.03464	2.6
95.01395	3.5
97.02950	2.1
108.02184	0.8
109.02941	0.7
111.04529	1.2
113.02408	0.5
121.02940	6.4
127.04008	2.6
133.03003	0.5
134.03741	22.0
135.04541	10.4
137.46066	0.5
138.03304	0.6
139.04021	2.1
149.06026	0.7
149.99597	0.6
159.04575	0.7
160.01683	1.0
161.02429	0.6
161.81577	0.4
163.00346	1.1
164.01170	1.0
165.01939	21.8
166.02695	0.5
172.05362	3.6
173.04515	0.9
175.03911	0.6
176.01180	0.7
178.02725	11.3
179.03481	4.8
187.03998	0.9
191.03693	2.2
191.05632	51.3
195.04584	0.7
197.06117	1.7
199.04074	4.2
200.04794	2.4
201.05434	0.5
210.01733	13.0
211.04001	1.0
213.05608	0.7
215.03540	1.8
224.04697	0.6
227.03534	11.8
227.07182	0.6
228.04337	5.6
239.03561	5.1
241.05060	3.1
254.05908	3.5
255.06596	0.9
255.13832	0.7
257.04501	1.8
267.03113	4.0
267.13770	0.7
282.05353	18.2
283.06036	0.7
283.13422	14.9
284.03238	1.0
285.04053	10.2
297.07727	34.7
299.05728	11.0
300.06409	19.9
301.14410	2.5
309.15060	5.2
311.13058	3.3
315.08792	100.0
316.09094	2.5
325.14536	1.0
327.16019	2.5
327.21838	2.0
329.13971	1.1
333.09714	0.8
353.14093	3.4
371.15048	39.0
372.15543	0.7
444.78033	0.5
563.21497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.3
59.01381	24.6
71.01375	12.9
71.01659	0.9
71.05042	1.3
73.02962	3.1
81.03481	1.8
81.78682	1.3
83.01402	2.4
83.05041	6.8
84.02211	1.4
85.02968	6.5
89.02448	11.0
95.01379	2.5
95.05031	2.4
97.06567	1.9
99.04546	1.8
99.08215	1.6
100.27277	1.1
101.02413	11.0
109.02939	2.2
109.06592	1.7
113.02462	7.3
116.97186	1.5
119.03493	4.6
119.04973	1.3
123.04533	1.8
125.02460	6.0
125.09723	6.8
127.07642	7.9
135.04500	4.6
135.08150	1.8
151.00349	2.9
153.09247	14.4
154.15651	1.3
155.10764	2.5
159.10419	1.6
161.02446	2.9
161.04607	2.2
163.11307	6.8
165.12860	1.7
167.03491	2.7
171.10278	19.8
178.10046	3.2
183.01256	1.5
185.10361	1.3
185.11807	10.7
191.10779	2.0
197.11861	11.0
202.84422	1.3
207.10403	1.6
209.11858	83.5
211.13556	1.5
229.08722	2.4
230.09087	1.4
238.12120	1.9
245.19193	1.9
250.95457	1.5
253.09352	21.3
258.08563	1.7
269.04617	6.2
279.19482	1.9
289.18076	20.6
297.03860	1.7
297.20801	1.3
301.03503	1.4
307.19199	100.0
308.19193	1.7
325.20206	36.4
441.11713	1.8
463.17496	1.4
474.21317	1.8
543.28156	17.8
561.29633	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	561.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27337	1.1
55.01899	1.9
57.03468	1.9
59.01387	59.0
61.98864	1.4
71.01390	26.8
73.02956	24.1
81.03461	1.2
83.01407	2.5
85.02980	6.5
87.00880	2.3
89.02451	12.9
89.48529	1.2
101.02440	23.8
113.02456	10.2
119.03518	2.4
133.02927	2.4
144.71732	1.2
183.13942	2.3
191.85028	1.2
237.18593	5.0
277.21716	2.0
295.22824	23.1
313.23907	8.1
341.67780	1.6
457.28165	5.4
475.29144	15.2
492.69424	1.5
517.30237	100.0
518.30383	1.7
561.32947	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	561.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24396	1.7
58.75056	1.5
59.01395	69.7
69.62783	1.5
71.01390	31.5
73.02945	24.4
74.22942	1.6
77.56862	1.7
85.02979	12.1
85.60683	1.9
87.00885	4.4
88.71225	1.8
89.02455	10.7
92.10793	3.6
97.02976	1.8
97.74014	1.8
100.36703	1.7
101.02460	22.5
107.84518	1.7
110.18271	1.9
113.02461	10.5
125.02472	2.2
133.02977	2.6
135.04495	2.4
295.22824	25.7
313.23926	8.8
357.26727	2.9
457.28323	8.3
475.28943	18.4
517.30237	100.0
534.79608	2.1
561.34851	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77206	0.2
55.98100	0.2
59.01385	5.3
60.99309	1.1
70.14137	0.2
71.01384	1.4
73.02939	3.2
83.01389	0.3
84.02164	0.3
85.02962	0.2
88.98801	5.1
89.02457	0.3
93.03451	0.4
101.02428	1.9
106.96809	0.2
108.02187	1.6
109.02940	0.6
113.02484	0.5
121.02944	8.0
122.03720	3.8
123.04579	0.3
124.01707	0.3
133.02907	0.4
134.03731	1.2
136.01659	81.9
137.02512	3.5
144.14626	0.3
149.04552	0.4
149.06142	0.4
151.04012	100.0
152.04341	0.5
159.04514	0.6
160.05299	1.5
161.02486	0.5
162.03223	1.1
163.04002	1.2
175.04056	0.3
175.07651	1.6
176.04712	0.4
177.05568	1.1
179.03488	0.4
182.60915	0.3
187.04025	0.5
189.05652	0.4
203.07138	0.4
241.05011	0.3
309.07806	0.3
311.12863	0.4
339.12595	0.6
342.11194	5.3
357.13477	66.3
358.13651	0.9
403.62991	0.3
552.08691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50623	0.7
57.03455	81.9
59.01385	82.5
60.65664	0.7
61.81351	0.7
71.01397	6.0
73.02968	3.6
81.06481	0.9
85.02947	0.9
87.00883	1.5
89.02460	5.3
92.10816	1.8
96.96041	4.7
99.04523	100.0
101.02445	19.6
112.98817	1.4
117.01964	2.0
119.05022	23.2
120.84473	0.8
121.05063	3.3
125.02451	25.9
125.03326	1.7
133.05070	5.3
143.03503	1.7
146.78244	0.9
151.06128	39.4
161.04558	22.4
163.04037	32.8
163.06076	2.3
193.07214	11.7
203.09229	1.1
233.10365	3.2
251.11281	1.2
265.09317	23.4
295.04657	7.3
295.10367	73.5
299.95111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
59.69255	0.4
59.86349	0.4
60.99308	18.2
70.09119	0.3
71.01401	1.6
83.91035	0.4
85.02972	0.6
88.98801	100.0
89.02451	0.8
101.02424	0.8
102.42734	0.4
109.02980	0.8
133.02953	13.4
135.04524	6.8
150.49246	0.4
161.02446	42.8
177.05530	0.7
179.03525	8.9
190.73463	0.4
200.02571	0.4
201.73962	0.5
203.03529	5.5
211.04437	0.5
211.72008	0.4
221.04594	1.7
233.04605	0.4
247.33185	0.5
251.05602	0.6
281.06631	1.7
341.08801	15.3
439.12506	14.9
443.01364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1414
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
50.73904	0.6
57.03459	6.7
58.99772	0.6
59.01376	1.2
60.99317	7.5
62.83752	0.6
69.03472	1.0
74.99150	0.7
80.24064	0.8
81.03473	6.0
83.01357	7.4
88.98799	39.4
93.03458	4.0
95.01361	0.9
95.04514	0.8
95.05022	6.3
97.02946	9.6
99.04549	0.9
107.05034	1.0
108.02207	1.5
109.02956	41.7
119.05000	0.9
121.02950	7.7
122.03740	1.6
123.04514	30.0
124.01689	1.3
125.02438	41.9
131.05069	0.9
133.02940	9.7
135.04518	7.5
137.02444	30.9
139.04024	5.9
143.05098	0.9
145.02969	1.6
146.03741	1.8
147.04532	1.9
149.02463	11.0
150.03246	1.0
151.04007	15.4
153.29460	0.8
157.06636	0.9
159.04543	6.2
160.05290	3.3
161.02458	21.0
161.06113	9.9
162.03191	3.8
163.00330	2.7
163.04001	4.2
164.01158	19.7
165.01945	10.8
167.03499	1.6
172.05125	0.9
173.06100	0.9
175.04042	7.9
175.07642	4.5
177.01924	8.5
177.05624	1.6
179.03506	10.1
185.06107	4.0
187.04019	10.1
188.04758	5.2
195.58559	0.8
199.07607	1.1
201.05612	1.4
202.06352	1.7
203.03465	3.2
203.07153	22.8
205.01469	4.4
205.05083	15.6
221.08202	3.4
227.07185	1.7
229.05019	1.4
230.05884	0.8
245.08240	20.8
247.06075	1.7
255.03003	1.1
256.03839	1.2
257.04379	0.8
271.06165	11.2
273.04605	0.8
273.07565	5.9
281.04437	1.0
289.07224	100.0
328.05862	1.1
329.06735	0.9
337.79739	0.8
341.08710	4.2
407.07828	10.2
435.11218	7.1
439.12378	6.1
454.49835	1.0
543.13300	1.4
561.14221	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	559.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06154	0.7
55.01884	1.2
59.01384	8.7
63.46869	0.7
71.01381	6.6
73.02969	1.3
73.22162	0.8
81.03473	1.2
83.01410	3.5
85.02958	0.7
89.02457	0.9
93.03482	1.6
95.01392	1.3
97.32945	0.7
101.02444	5.9
105.55579	0.9
108.02210	3.9
109.02956	86.5
111.00906	4.5
113.02474	3.4
117.03475	15.2
119.05029	19.9
121.02947	3.0
123.00906	1.7
123.04539	4.1
124.01695	3.8
131.05054	4.6
133.06601	1.5
136.95792	0.7
139.00385	0.8
145.02959	46.4
147.04550	1.3
147.54492	0.7
149.02455	3.0
151.00357	0.9
151.04068	3.1
152.01176	26.0
153.01942	100.0
158.03735	1.3
159.04504	19.8
159.05754	0.9
161.02475	1.3
161.06053	1.6
163.04002	10.5
164.50523	0.7
165.01944	3.2
167.03520	1.6
173.02217	0.8
177.05658	1.9
187.04019	42.8
191.03502	1.7
195.03001	87.8
201.05565	1.1
205.05043	1.0
225.04012	6.8
229.05049	1.9
237.03960	1.9
253.38713	0.9
255.05135	34.1
270.86407	0.8
297.06195	5.0
383.07813	7.5
401.08838	76.4
402.09671	1.1
423.11572	0.8
443.10419	1.0
461.10883	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	561.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03665	0.8
54.17007	0.8
59.01387	10.6
65.33878	0.9
67.44366	0.8
71.01411	5.4
73.02991	1.9
75.00894	1.5
85.02980	2.0
86.63704	0.9
87.00892	1.8
89.02456	2.4
91.01862	0.9
93.03460	40.1
95.01425	1.3
96.96017	11.3
98.95607	7.9
101.02456	1.8
108.02177	20.2
109.02972	3.8
111.00877	1.2
113.02483	1.8
116.92862	7.7
121.02959	4.1
122.03730	7.5
123.04535	19.9
125.02435	1.2
133.02933	2.2
134.03763	1.2
135.04520	4.7
136.01689	7.6
137.02451	35.3
149.02452	18.4
150.03236	79.6
151.03967	4.1
152.01158	49.1
152.02374	1.9
158.77324	1.0
159.25986	0.9
161.02420	7.8
164.04764	4.8
165.05576	100.0
166.02785	1.3
167.03500	97.8
175.75807	0.9
177.02060	1.2
179.03513	13.1
180.04276	5.7
195.05135	1.8
195.06644	45.6
203.03610	1.0
209.04597	4.6
221.04547	1.6
226.83025	1.1
256.07507	1.2
289.07281	1.6
313.09344	17.9
315.08762	2.0
341.08713	1.5
355.10797	1.1
363.10886	62.8
561.21600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.5
76.46754	1.3
83.01408	3.0
96.96007	6.6
99.00871	5.4
109.02946	12.2
115.00338	2.6
121.06585	1.5
128.36131	1.2
133.02943	2.0
135.04538	1.8
145.02899	2.0
147.04536	5.4
148.05284	2.9
149.06088	100.0
158.89619	1.3
161.02463	8.7
163.03995	5.8
165.05545	5.3
175.03999	15.8
177.01930	11.2
193.05067	17.8
201.32442	1.4
206.02226	2.1
215.03474	1.5
219.03018	31.9
233.04454	11.6
237.04068	45.7
277.03625	4.9
293.06509	2.2
319.04486	2.9
337.05670	35.9
481.09842	6.0
499.10989	19.5
523.13330	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	557.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	96.5
71.01386	44.4
73.02959	17.3
73.89462	8.1
78.95901	13.7
83.01393	18.0
88.57472	7.9
101.02460	9.3
119.05018	43.2
123.04541	34.7
125.02443	61.4
133.02907	11.7
144.89737	10.2
151.00308	18.2
157.08643	9.1
167.03523	60.4
187.09656	11.6
267.02979	21.4
269.01062	15.0
283.49228	9.7
291.19638	84.6
311.01917	16.5
351.65030	8.7
389.06564	14.3
471.25958	17.9
513.27094	100.0
557.11566	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	559.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94840	0.9
59.01385	19.2
60.99308	19.9
62.38945	0.8
71.01398	4.7
73.02937	8.3
73.74670	0.9
83.01369	1.2
85.02955	1.3
87.00890	1.2
88.98803	100.0
89.02463	1.1
101.02452	6.0
109.02943	1.1
113.02425	1.4
121.02993	1.0
125.02381	0.9
132.94597	0.9
133.02982	1.5
135.69499	0.9
148.91109	1.0
153.01952	1.2
159.55154	1.1
161.02426	3.5
180.74559	0.9
190.10957	1.0
195.03087	1.1
221.08160	2.2
293.21124	6.6
500.71753	1.2
515.28143	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	557.2294
Annotation	Scutebarbatine A
Peak:m/z	Relative Intensity
51.74437	1.4
58.02985	19.8
59.01393	19.9
61.32760	1.6
63.08498	1.3
66.03506	2.0
71.01394	7.2
71.45802	1.4
72.00941	1.7
73.02962	6.9
74.02477	34.0
80.67456	1.5
81.04618	2.6
82.02985	2.8
84.04541	1.8
86.02482	13.2
87.05663	7.2
87.39098	1.6
89.02402	1.5
89.03493	1.4
97.04070	3.7
99.05643	31.5
101.02460	6.0
101.07214	6.5
102.05616	3.5
109.04097	8.4
110.00718	3.4
111.05687	2.3
112.04033	3.4
113.02454	3.5
127.05123	1.9
128.03540	82.8
135.04599	2.3
135.05643	11.4
141.06650	3.3
143.04631	100.0
145.06210	3.1
146.04605	11.9
149.07159	1.9
153.06702	6.1
166.09857	6.7
167.04567	2.0
167.08313	6.1
179.04643	21.9
181.06129	2.0
195.10890	2.6
210.08838	20.2
239.09842	3.4
244.31566	1.7
254.07874	35.0
272.08911	54.4
284.13190	18.7
428.18607	7.7
539.22180	7.2
557.22943	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82487	0.3
56.76456	0.3
59.01384	100.0
65.64325	0.3
71.01378	6.3
73.02946	5.7
83.01393	2.1
83.05028	0.5
85.02962	0.4
89.02424	0.5
92.65263	0.4
93.76863	0.3
100.17133	0.4
101.02438	3.6
111.04490	0.3
113.02444	0.8
121.02947	0.7
125.02464	0.4
125.24400	0.4
126.62335	0.3
129.05556	3.6
134.03767	0.7
134.04965	0.3
135.11720	0.4
141.68361	0.3
155.70819	0.4
161.04630	0.5
161.13437	1.1
161.89595	0.4
221.08234	1.7
228.37933	0.4
229.19502	0.6
273.18668	1.5
291.19620	4.0
325.69937	0.4
335.22253	0.4
381.11816	0.7
431.83017	0.4
471.26096	0.6
513.27094	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	557.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03448	3.9
59.01386	100.0
71.01381	30.7
71.75567	0.5
73.02948	7.4
75.00899	0.5
83.01385	3.1
85.02957	10.7
86.78461	0.6
87.04526	2.7
89.02430	1.4
89.06083	6.0
97.02985	0.6
99.00888	2.1
101.02438	16.3
109.02971	3.4
111.00825	0.6
113.02454	14.6
113.73570	0.5
117.03450	1.0
119.05012	1.3
121.02953	14.7
135.04512	0.6
143.03517	1.0
145.02939	3.3
149.64180	0.5
153.01949	4.0
159.03029	0.8
159.04567	0.7
161.02400	0.7
161.04570	8.4
187.04008	0.9
195.03009	3.5
218.08554	0.6
233.10304	2.0
237.07663	3.2
251.11383	15.8
291.08728	7.0
293.12479	23.6
381.11945	5.4
401.08755	0.9
423.13040	4.4
441.14111	16.2
441.19669	1.0
471.25653	0.8
484.06866	0.6
496.33154	0.5
557.13831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66922	0.3
54.24351	0.3
55.01883	1.7
57.03450	0.7
58.00605	0.4
59.01384	100.0
63.79461	0.3
66.79194	0.3
69.03467	0.7
71.01379	96.1
73.02943	11.1
81.03461	0.5
83.01387	5.4
85.02953	9.1
87.00854	0.6
87.04510	7.8
89.02439	6.8
89.06080	11.2
92.10152	0.6
95.01359	2.2
97.02940	0.9
99.00854	2.4
101.01795	0.6
101.02435	14.9
111.00870	0.4
112.01624	0.8
113.01717	0.5
113.02452	10.7
119.03458	1.4
121.02945	17.6
125.02380	1.7
129.01959	0.4
131.07042	0.5
143.03418	0.8
159.02882	0.7
161.02361	0.4
161.04558	8.2
165.01842	1.7
219.06491	0.7
233.10309	5.5
237.07677	5.6
237.62872	0.4
251.11375	17.0
291.08813	7.2
293.12460	9.8
357.88919	0.4
381.11972	29.8
423.13022	11.0
435.29721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.6
57.03453	100.0
59.01384	80.5
71.01382	18.9
73.02956	8.5
73.41260	1.2
78.95914	2.2
83.01408	2.6
85.02948	11.7
87.00877	1.8
89.02454	6.9
92.73949	1.3
96.96011	16.5
99.00901	2.4
99.04512	92.1
101.02441	25.7
101.03032	2.1
113.02475	7.4
115.04015	9.1
119.03582	1.6
119.05045	1.7
121.05048	11.1
125.02444	18.7
143.03516	3.3
161.04567	8.7
163.06131	5.2
203.09277	3.4
233.10307	2.3
265.09311	93.3
277.09366	13.3
363.49268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44622	10.3
59.01387	96.4
63.35709	9.7
71.01398	26.2
74.14924	11.1
87.00938	18.3
89.02449	12.6
96.95996	15.9
98.39695	12.4
101.02461	11.0
109.02950	48.3
113.02480	19.3
119.05009	13.2
135.04474	43.4
139.98767	11.2
145.03101	12.7
153.01994	19.6
161.02464	100.0
163.04039	11.3
174.03285	19.9
175.03996	58.8
189.01949	41.4
195.02876	12.1
218.55626	10.9
295.06558	11.6
427.09113	20.8
525.12384	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	557.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22420	0.2
56.88500	0.3
57.90392	0.2
59.01390	6.5
71.01390	1.8
73.02937	4.0
81.03481	0.6
83.01414	0.3
85.02977	1.8
87.00861	0.3
89.03995	0.3
92.10074	0.5
95.01366	0.4
96.95988	1.1
101.02448	3.8
105.03471	0.5
107.01390	0.5
109.02952	9.4
111.00868	0.5
113.02443	0.6
123.00894	0.7
124.01682	0.6
125.02434	1.2
131.18422	0.3
132.02194	2.8
133.02954	45.1
135.00890	1.2
135.04527	7.7
137.02457	1.3
143.29236	0.4
152.01147	1.3
153.01942	8.7
153.03116	0.4
161.02451	100.0
162.02809	0.6
163.03978	0.4
177.05550	0.6
179.03471	1.6
187.04153	0.3
259.08200	2.6
262.57907	0.3
322.06952	0.4
377.08780	0.5
395.09851	12.5
421.06702	0.5
421.12061	3.1
454.34210	0.3
521.33087	0.5
535.91254	0.4
557.13104	39.5
558.13226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60379	0.6
57.03459	13.5
59.01386	9.9
62.77624	0.5
65.00333	10.6
71.01390	3.3
73.02951	4.3
76.57500	0.7
77.16415	0.6
77.34780	0.6
81.03471	7.8
83.01389	26.1
87.30202	0.7
89.02444	0.8
92.10847	1.2
93.03459	6.7
95.01564	0.7
95.05040	1.1
99.04551	0.9
101.02464	1.4
107.01405	12.8
115.61269	0.7
115.62078	0.7
119.05031	51.5
121.02961	0.9
123.03613	1.6
123.04529	47.4
125.02449	82.5
134.08099	0.7
135.04456	0.7
143.05063	3.9
145.02991	4.3
147.04541	1.1
149.02394	0.7
151.00389	28.6
154.48499	0.7
155.04849	0.9
156.84079	0.7
157.02882	1.2
161.02435	0.9
163.04044	3.0
167.03506	100.0
169.02954	1.7
171.04498	3.2
173.02422	4.0
174.03165	1.0
175.04057	11.0
177.01926	3.5
183.04521	1.3
185.02414	3.7
185.06007	1.2
187.04045	3.9
189.05582	3.7
195.04512	1.1
197.02432	4.2
198.03181	1.0
199.04025	9.9
201.01958	14.5
211.04027	5.3
213.02025	7.3
213.05661	1.0
214.02766	1.2
215.03519	2.9
217.05042	3.2
223.04112	6.3
223.06001	0.9
225.01982	3.1
239.03560	6.7
241.01439	3.4
241.05032	5.3
243.02974	11.6
255.02927	0.8
256.00244	6.8
257.01126	0.8
265.04974	0.9
267.03018	36.7
269.00946	38.3
283.02505	6.0
285.04080	14.2
291.19641	4.4
295.02460	1.7
311.02029	43.8
335.22281	3.3
342.40683	0.8
365.06497	0.9
376.06076	7.4
379.08295	1.6
387.08768	10.7
389.06708	46.8
405.09760	11.8
431.07797	8.2
513.11755	0.9
513.27191	8.4
555.18292	0.7
557.10742	9.3
572.82507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	17.8
58.66471	0.6
59.01390	10.6
62.60589	0.6
62.88393	0.6
63.77245	0.7
63.99927	0.7
65.00331	12.5
71.01402	3.7
73.02971	1.5
81.03458	7.8
82.59715	0.9
83.01389	31.6
93.03458	6.4
95.05068	0.9
101.02447	1.7
104.55653	0.8
107.01398	9.6
119.05021	56.1
123.04529	43.4
125.02441	80.0
126.59219	0.7
133.02986	1.2
138.79092	0.8
143.05045	4.1
145.02968	5.6
147.04488	1.0
151.00372	28.6
155.04922	0.7
163.04016	3.7
167.03503	100.0
169.02925	1.6
171.04578	3.8
172.01648	1.3
173.02371	5.9
174.03227	3.0
175.04027	10.8
177.01944	4.0
185.02452	5.1
185.06119	1.3
187.04016	6.3
189.05600	1.7
197.02460	1.4
198.03261	3.3
199.04054	11.5
201.01962	13.9
211.04005	4.9
213.01950	10.7
213.05524	1.5
214.02695	1.1
215.03482	3.4
217.05096	0.9
223.03987	5.8
225.02061	2.9
230.02191	0.7
239.03444	5.4
241.01431	1.8
241.05150	6.6
243.02995	13.1
255.03203	1.0
256.00064	7.8
257.01169	1.1
257.04446	1.1
267.03009	34.2
269.00949	35.3
270.01590	1.1
271.02524	1.0
283.02490	4.2
284.02759	0.9
285.04117	12.1
291.19669	3.6
311.02048	39.4
335.22379	4.1
337.19113	0.7
347.05756	1.2
376.05807	7.2
387.08728	11.3
389.06705	47.3
391.08252	1.2
405.09811	12.7
431.07709	8.0
471.26218	1.3
513.27277	7.1
557.10797	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	557.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05441	0.4
56.12244	0.4
57.03457	12.2
57.03721	0.8
59.01376	5.5
65.00327	12.3
67.39955	0.5
71.01380	1.0
73.02947	1.0
81.03452	7.1
81.44592	0.5
83.01382	22.4
93.03454	6.0
95.04994	0.8
99.04546	0.5
107.01390	10.9
111.27390	0.6
116.35735	0.7
117.03490	2.4
119.05023	47.1
120.05332	0.5
123.04524	39.8
125.02447	68.9
133.02960	1.0
143.05048	2.6
145.02956	3.1
149.02509	0.7
151.00395	27.3
155.04987	0.8
157.02916	0.7
161.02498	0.7
163.03972	1.3
165.01926	2.0
167.03514	100.0
168.03624	0.6
169.02951	0.9
171.04536	2.2
172.01671	0.6
173.02466	5.8
173.06163	1.0
174.03203	2.4
175.04013	9.0
177.01909	4.6
183.04532	0.8
185.02452	3.2
185.06119	2.0
187.04034	5.0
189.05525	2.4
191.03442	0.7
195.04623	0.9
196.05316	0.6
197.02477	3.8
197.06143	0.8
198.03241	1.0
199.04036	9.3
201.01994	12.7
211.04044	2.9
213.01964	8.0
213.05540	2.1
215.03458	3.2
217.05119	2.3
223.04070	5.9
225.01949	3.1
227.03590	0.9
229.01361	0.9
231.03032	0.7
239.03552	7.8
239.16435	0.6
241.01443	3.2
241.05119	4.5
242.02119	1.2
243.03009	13.1
255.03015	0.7
256.00140	7.9
257.00986	0.8
257.04568	0.8
259.05966	0.7
266.02258	0.6
267.03018	30.1
269.00964	36.3
270.01703	0.6
271.02524	1.0
280.19131	0.5
281.04462	0.6
283.02530	4.9
285.04132	13.1
291.19431	0.7
293.04550	2.0
295.02533	1.2
309.20703	0.8
311.02032	38.3
312.02484	0.9
345.07687	0.9
370.68054	0.5
376.05847	4.9
379.08200	3.0
387.08765	9.9
389.06720	47.7
390.06839	0.7
405.09839	11.5
411.07465	0.6
431.07608	8.3
513.11798	0.8
513.27338	3.9
539.09833	1.0
557.10938	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	557.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95330	0.4
56.37913	0.4
56.85844	0.5
57.03460	14.4
59.01395	3.4
63.13803	0.4
65.00331	8.2
81.03462	6.5
83.01394	26.3
83.44321	0.4
93.03458	4.9
95.05035	0.6
99.82172	0.7
107.01386	9.2
109.03041	0.5
117.03445	0.6
119.05024	41.8
120.05353	0.5
123.03616	1.0
123.04520	40.2
125.02443	70.4
133.02960	0.6
141.06723	0.5
143.05011	3.5
145.02975	2.6
147.04596	0.5
150.99165	0.9
151.00375	24.2
162.90269	0.5
163.04031	2.5
167.03500	100.0
171.04453	0.9
172.01413	0.7
173.02454	4.3
174.03250	0.8
175.03981	6.9
177.02010	4.3
183.04572	0.6
185.02437	2.0
185.06259	1.5
187.04059	3.3
189.05585	3.0
195.04611	0.8
197.02403	1.9
198.03239	0.8
199.04033	7.2
201.01945	11.9
203.00070	0.5
211.03981	3.7
213.01866	5.0
213.05486	0.6
214.02722	0.8
215.03555	2.6
217.05113	2.9
223.04012	5.8
225.01970	2.9
229.05028	0.7
239.03537	5.9
239.07298	0.6
241.01480	1.9
241.05081	3.1
242.02196	0.7
243.03009	11.9
251.03409	0.5
255.03172	0.8
256.00143	6.8
257.00848	1.1
267.02988	26.0
269.00931	29.2
270.01361	0.7
283.02457	3.4
285.04050	10.5
293.01294	0.6
293.04477	1.1
295.02512	2.2
311.02023	38.4
312.56543	0.5
345.07730	0.9
376.05975	4.1
379.08249	2.2
387.08868	7.3
389.06714	40.6
391.08633	0.5
399.57657	0.6
405.09924	9.7
411.07117	0.8
431.07684	8.3
471.10898	0.6
539.10205	0.6
557.10852	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	557.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34551	1.0
53.52589	1.1
54.28182	1.3
54.98182	1.2
57.03459	12.9
59.01394	7.2
61.39336	1.2
61.62544	1.0
65.00338	7.6
71.01385	1.2
81.03456	9.4
83.01386	27.0
83.69445	1.4
92.10181	1.4
93.03480	2.5
95.01667	1.3
107.01411	6.5
119.05028	44.0
123.04533	46.5
125.02452	77.6
143.05103	1.9
145.02907	2.0
151.00394	19.5
152.58517	1.4
167.03505	100.0
173.02478	2.2
174.03244	2.6
175.04018	7.6
177.02026	2.9
187.04028	5.4
199.04005	10.3
201.01938	10.2
211.03915	2.0
213.01949	4.9
215.03502	2.9
223.04005	2.8
225.01955	1.6
239.03549	6.6
241.01465	1.6
241.05156	2.8
243.02991	10.7
256.00217	6.5
257.00809	1.4
267.03024	25.1
269.00970	32.5
283.02524	2.7
285.04080	13.4
310.98798	2.4
311.02081	38.9
335.22104	1.6
376.06073	5.5
387.08914	9.4
389.06750	39.6
405.09891	8.6
431.07739	8.7
525.13525	1.6
557.11053	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	557.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47228	0.7
57.03454	16.0
57.71439	0.8
59.01386	23.5
65.00324	11.5
71.01395	4.3
73.02957	4.5
81.03462	8.8
83.01392	27.6
85.02945	1.0
89.02445	1.1
93.03477	6.6
98.69189	0.8
101.02460	4.3
107.01408	11.3
107.50509	0.9
114.77133	0.9
119.05028	53.3
123.04524	50.7
125.02448	83.2
133.03012	1.7
141.81017	1.1
143.05017	4.2
145.02942	4.2
147.04510	1.4
151.00381	23.5
157.02962	1.2
161.02501	1.1
163.04010	2.1
167.03499	100.0
171.04535	1.6
173.02437	5.1
174.03149	1.5
175.04016	10.8
177.01956	4.2
183.04510	1.3
185.02425	1.7
185.06148	1.0
187.04028	7.6
187.99792	0.9
189.05603	1.8
197.02443	1.8
198.03412	1.0
199.04025	11.8
201.01962	16.9
211.04059	5.6
213.02048	6.3
213.05606	1.7
215.03574	4.2
217.04999	1.7
223.03957	6.4
225.01985	3.4
239.03603	8.8
241.01411	4.4
241.05066	5.0
242.02148	1.5
243.03020	14.2
246.31650	0.9
256.00146	8.4
257.00735	1.7
267.03024	32.7
268.03659	1.1
269.00964	40.3
271.02441	0.9
283.02484	5.2
285.04050	17.2
291.19711	7.2
293.00705	1.0
293.04306	1.0
295.02725	1.3
309.11417	1.0
311.02036	45.5
335.22458	2.1
345.07898	1.2
371.05591	1.2
376.05917	6.7
379.08527	1.2
387.08743	8.1
389.06750	48.3
390.07162	1.4
405.10077	7.6
411.07526	1.7
431.07562	9.7
513.27209	8.2
557.10980	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	556.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82391	0.4
55.01670	0.4
55.01883	3.6
57.03448	2.6
59.01385	100.0
61.96219	0.4
62.87788	0.4
71.01385	2.6
73.02946	3.6
73.76834	0.4
75.79700	0.4
78.98611	0.9
79.95744	2.2
79.98988	0.3
80.96515	15.8
83.01389	11.2
85.02955	1.7
87.00921	0.4
89.02442	1.0
91.04008	3.5
94.98109	3.7
101.02439	5.0
105.01949	0.6
119.03481	2.6
122.97578	0.9
125.02431	1.0
134.97572	0.6
148.99123	0.8
152.98618	2.0
157.05075	1.9
164.98640	2.9
175.06104	7.1
193.07224	6.1
206.99805	0.5
225.00836	3.1
226.01071	0.7
255.23396	0.8
279.23325	53.6
354.79028	0.4
437.29117	8.3
455.30228	43.2
456.30502	0.8
470.62836	0.5
482.35022	2.6
495.60831	0.5
497.31250	8.2
556.28864	23.4
556.37451	0.9
557.28076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71558	1.7
53.88641	1.9
54.49516	1.6
55.01394	1.7
59.01384	47.5
61.50770	1.6
61.98855	2.2
71.01383	18.4
73.02954	11.7
85.02963	11.5
89.02458	3.0
91.66088	1.9
96.96008	2.1
101.02449	10.1
109.02949	50.6
111.00895	3.7
113.02453	13.2
119.05061	2.7
121.02930	4.1
123.04521	2.3
133.02954	33.6
134.03731	2.3
135.04529	39.9
145.02904	2.6
149.06058	5.0
150.03200	18.2
151.03650	3.3
152.01137	15.8
153.01947	79.0
161.02443	100.0
165.05545	9.4
175.03992	14.2
177.05585	8.8
179.03496	13.8
195.03003	61.8
195.06569	3.3
195.23862	2.0
203.03528	29.5
225.04002	3.8
237.04024	2.4
245.04469	2.7
255.05083	28.2
313.45209	2.0
417.08499	23.6
421.22159	2.9
422.22705	3.0
439.23108	3.2
451.23245	3.0
452.23978	8.0
477.10596	28.3
556.14685	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01392	2.3
60.66121	0.4
63.38017	0.3
63.96252	0.5
66.40676	0.4
71.01385	8.4
71.67732	0.4
73.02954	2.7
78.95912	0.6
78.98579	6.1
79.95734	10.1
80.96517	80.8
81.03464	0.7
85.02943	2.9
86.79274	0.4
87.00882	3.3
92.38508	0.4
94.98088	18.2
95.01382	0.5
96.96001	0.6
97.02944	2.3
99.00859	0.4
101.02446	2.8
106.98076	4.1
113.02459	0.7
120.97696	0.4
122.97582	7.0
124.75499	0.4
125.02462	3.9
127.04014	1.0
134.97592	5.2
136.99136	2.2
146.97574	0.5
148.98135	0.5
148.99165	8.6
152.98647	9.4
164.98615	14.5
165.00668	0.5
167.00247	0.5
182.99669	2.3
206.99704	4.2
225.00777	20.8
240.06654	0.4
243.01820	2.9
254.53726	0.4
255.23354	7.3
256.23657	2.0
299.04419	4.2
352.27206	0.5
471.83698	0.5
481.31473	2.2
555.28522	100.0
556.28796	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82316	0.7
56.31103	0.6
59.01374	1.5
60.26251	0.6
61.98836	1.1
63.40054	0.6
63.96254	0.8
71.01375	8.8
78.95868	0.9
78.98603	6.9
79.95728	13.5
80.96512	88.2
81.03493	1.0
85.02957	3.4
87.00892	3.4
89.15368	0.7
94.98080	21.6
99.04519	0.8
101.02437	3.2
106.98112	5.1
122.97594	3.4
125.02428	3.7
134.97533	6.7
136.99138	1.3
148.99194	7.0
152.98602	6.7
158.10645	0.9
164.98628	16.8
199.81653	0.7
206.99728	1.5
225.00763	18.5
229.80339	0.8
232.46033	0.7
255.23302	4.1
299.04492	4.7
394.89597	0.8
509.23474	0.9
555.28522	100.0
556.29327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74464	0.9
54.65731	0.9
56.14261	1.0
56.60793	0.9
59.01391	18.4
62.52103	1.1
71.01387	2.3
72.90164	1.1
73.02945	1.2
85.02970	2.6
93.03482	5.0
96.96017	4.5
101.02464	1.9
109.02975	2.0
109.88532	1.1
121.02964	19.5
122.03735	14.7
123.04491	2.8
133.02995	2.8
135.04541	2.8
136.01688	2.6
137.02483	2.2
147.76614	1.1
149.02448	89.5
150.03233	100.0
151.04050	1.2
160.21350	1.1
161.02525	2.3
161.06081	1.6
161.30630	1.2
163.03951	1.5
163.11316	2.0
164.04826	18.4
165.04143	2.7
165.05574	76.6
166.06415	1.7
172.78705	1.3
175.07620	1.5
179.07164	2.5
180.04323	2.6
193.75121	1.1
195.06641	26.8
241.08755	1.4
267.10376	1.1
269.08270	5.3
269.11963	1.4
283.09778	2.6
296.10706	1.6
297.11325	14.7
298.12213	2.0
299.09146	1.7
300.10095	1.6
311.09207	6.0
311.12650	2.3
313.10739	1.4
314.11621	6.4
315.12405	6.1
326.11795	2.3
329.13947	16.6
329.30066	1.1
341.13925	5.8
345.16971	1.9
351.21786	2.7
422.14865	1.4
431.14996	4.8
433.16397	5.9
447.14804	1.6
454.18729	1.3
461.15762	1.7
462.16824	4.3
463.16980	1.3
477.19196	16.1
489.19766	1.7
492.18204	2.2
507.20343	88.7
555.21906	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	555.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.8
57.03458	3.9
58.00597	2.1
59.01389	100.0
59.31821	1.4
65.91284	1.3
69.03459	2.3
71.01385	87.0
71.05015	6.4
72.99310	2.4
73.02949	25.2
78.95927	7.7
79.89516	1.4
79.95738	1.3
81.03461	2.6
82.20187	1.6
83.01390	15.8
85.02957	45.5
87.00896	7.7
89.02445	51.2
89.02995	1.9
92.10164	3.3
95.01394	9.5
96.95999	27.5
96.96969	9.3
97.02971	3.2
99.00883	7.6
99.04503	12.1
101.02438	61.5
109.02958	2.1
111.00872	1.9
113.02467	40.9
115.04016	41.6
119.03506	17.9
121.02944	3.4
127.03983	11.5
129.01912	2.2
135.04494	1.6
139.04030	3.8
143.03476	2.8
150.03194	2.2
161.04578	28.3
165.05638	3.0
179.05656	15.9
233.10370	13.0
265.09317	2.6
277.09299	65.8
291.07272	40.6
428.51431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
63.02412	2.3
64.97656	0.5
65.00336	20.5
66.90797	0.5
83.01392	7.0
88.86248	0.5
93.03463	8.3
107.01399	22.0
117.03463	0.9
119.05028	53.3
119.21270	0.6
125.02433	5.5
143.05028	2.6
145.02956	3.8
145.25360	0.6
147.04523	1.0
151.00383	58.0
161.02382	1.0
163.04007	0.9
165.01906	0.6
167.05026	1.1
171.04515	3.7
172.01772	0.6
173.02451	4.5
180.49936	0.6
183.04541	5.8
185.02505	0.7
185.05998	0.7
187.03986	5.5
189.05476	0.7
193.01389	2.9
195.04514	1.2
199.04182	2.1
211.02232	0.9
211.04010	7.8
212.01401	0.7
213.02049	0.8
213.05618	1.4
215.03532	2.9
223.34372	0.6
224.04684	0.7
227.03519	7.5
229.05098	0.9
232.72995	0.6
239.03563	11.5
241.01305	1.1
241.05069	2.3
242.02252	0.7
251.03534	0.5
253.05266	1.8
255.02997	7.4
256.03735	0.7
257.04578	8.8
268.00189	8.5
269.04523	5.8
281.01205	0.8
281.04584	2.3
282.01593	1.2
283.02505	90.7
284.02994	3.6
294.01889	0.7
296.03079	0.7
297.04092	8.5
309.00568	3.0
309.04077	6.5
321.03973	0.9
323.05621	3.5
325.03531	18.5
341.06583	1.2
347.05832	0.9
349.03525	3.1
365.06769	2.4
367.04648	4.6
391.04636	1.2
403.08249	50.8
404.08469	0.9
409.05624	3.3
429.06232	3.2
435.03558	4.5
555.09393	100.0
556.09521	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	555.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00581	0.9
57.03450	1.1
59.01393	1.3
61.81280	1.0
63.02392	1.3
65.00333	14.1
65.00643	1.3
68.99821	1.5
83.01395	5.4
93.03460	13.4
106.93142	0.8
107.01389	11.6
109.02960	4.8
117.03453	2.0
119.05019	56.0
121.02953	2.2
123.22382	0.9
125.02445	10.1
137.02443	6.2
143.05022	6.3
145.02963	10.6
147.04533	5.5
151.00375	25.7
159.04457	1.4
160.32695	0.9
161.02431	1.4
163.04012	5.5
165.01923	46.7
169.02902	2.2
171.04559	11.3
173.02403	9.7
174.03162	3.8
175.03996	14.7
183.04488	4.5
185.02411	6.7
185.06081	1.4
187.03995	11.9
195.04414	1.9
197.02461	6.0
198.03166	2.3
199.04022	11.3
201.01929	9.9
211.04031	6.3
213.01973	15.9
213.05583	5.4
214.02711	1.1
215.03526	10.3
225.01872	2.1
227.03491	4.1
229.05060	1.8
237.05637	4.2
239.03519	9.1
241.01405	8.9
242.02200	3.7
243.02997	43.5
253.05098	1.9
255.02957	4.0
257.04684	8.0
268.00235	1.9
269.00934	67.9
277.05164	1.0
279.02908	1.3
279.06607	2.0
281.04575	8.6
283.02515	31.7
284.03107	2.3
295.02371	3.8
297.03995	2.2
299.05646	3.7
301.13263	1.2
305.04614	1.3
309.00574	1.2
309.03992	2.1
310.74878	1.0
321.07745	3.5
323.05594	7.2
324.02783	1.2
325.03369	9.5
331.09695	4.3
345.07684	1.4
347.05518	1.7
349.03549	1.7
359.09167	2.3
360.36386	1.1
367.04822	4.2
389.06708	100.0
390.06906	1.7
391.04712	1.4
403.08313	14.4
409.05740	8.2
435.03448	2.1
555.09375	98.9
556.10016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09567	0.5
63.02419	0.6
65.00325	11.0
81.80303	0.6
83.01391	5.0
93.03458	4.9
101.60255	0.6
107.01389	15.6
117.03461	0.6
119.05025	35.4
125.02428	3.9
143.05022	0.9
145.02968	3.2
146.73627	0.6
151.00385	49.9
153.53563	0.6
161.02528	0.8
171.04500	3.0
173.02420	2.7
180.22690	0.7
183.04530	2.7
187.03979	4.2
193.01361	1.3
198.03142	0.8
211.04007	6.1
213.01756	0.9
213.05775	0.7
215.03537	2.9
225.05466	0.8
227.03549	5.0
239.03542	9.9
253.01546	0.9
255.03088	4.6
257.04553	7.1
268.00134	7.1
269.04526	3.1
281.04593	1.0
282.01999	1.1
283.02509	79.5
284.02979	1.3
297.04092	8.1
299.05618	1.1
309.00385	3.5
309.04111	5.1
321.04309	0.7
322.05060	0.9
323.05475	2.3
325.03552	15.2
341.06772	1.2
349.03568	2.8
349.65762	0.6
361.07300	0.8
364.29956	0.8
365.06717	2.2
367.04575	5.1
391.04608	1.1
394.57678	0.7
403.08286	45.3
404.08698	0.8
409.05658	0.8
410.16440	0.7
429.06290	3.1
504.47153	0.7
530.44061	0.8
555.09412	100.0
556.09808	3.6
582.82104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.5
63.02416	1.6
64.04487	0.3
65.00327	14.4
68.85226	0.4
83.01382	6.9
89.54465	0.4
92.10689	0.5
93.03446	7.1
107.01395	18.6
117.03477	0.7
119.05022	38.3
125.02448	5.1
133.02963	0.5
143.05070	1.7
145.02913	2.7
147.04501	0.4
151.00381	54.8
161.02460	1.8
163.04060	0.8
167.04932	0.5
169.01387	0.5
171.04546	2.5
172.01770	0.4
173.02437	2.9
177.01886	0.6
181.06674	0.4
182.03693	0.6
183.04485	3.6
185.02396	0.8
185.06180	0.7
187.04016	4.7
189.05624	1.4
193.01431	2.2
195.04564	0.7
199.04056	0.9
209.05968	0.5
210.03137	0.6
211.04070	5.5
213.01974	0.5
213.05577	0.8
214.02670	0.4
215.03479	3.2
225.05460	0.6
227.03516	6.5
229.05028	0.7
239.03549	9.1
240.04326	0.5
241.01326	0.6
241.05115	0.7
253.05029	1.6
255.03015	6.6
256.03699	0.7
257.04596	8.6
268.00168	9.0
269.01096	0.6
269.04581	4.1
270.05499	0.5
281.01089	0.5
281.04544	2.3
282.01749	0.8
283.02502	87.0
284.03058	1.6
285.03946	0.4
294.01764	0.8
295.02313	0.7
295.05917	0.6
296.03268	0.6
297.00854	0.6
297.04059	7.6
299.05655	0.4
301.03561	0.7
309.00433	3.7
309.04083	7.3
321.03802	0.6
323.05646	3.8
325.03586	16.5
328.07510	0.4
339.05121	0.5
341.06635	1.5
347.05518	0.6
349.03455	2.7
361.07193	1.4
365.06647	1.7
367.04559	5.0
385.07050	0.5
391.04559	1.6
403.08282	46.0
409.05630	2.3
429.06100	3.0
435.03836	2.9
555.09399	100.0
556.09808	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45038	0.5
56.14348	0.5
56.91271	0.5
57.03461	2.4
57.64213	0.6
59.01394	10.1
63.02412	1.4
65.00328	11.7
65.03968	0.9
68.36158	0.5
68.99831	3.2
83.01406	6.0
91.01947	0.6
91.20147	0.6
93.03452	17.4
93.04013	0.9
95.01334	1.0
100.28251	0.6
107.01396	11.9
109.02966	5.8
117.03429	5.1
118.99937	0.6
119.05021	66.4
121.02955	4.2
125.02420	11.9
133.02934	1.2
137.02434	9.5
143.05040	7.6
145.02971	10.6
147.04530	4.2
151.00380	28.9
155.05093	0.7
157.02960	2.9
157.11237	0.6
158.03752	0.8
159.04504	1.1
161.02460	3.6
163.03989	3.4
165.01930	48.9
169.02879	4.6
171.04552	10.8
173.02449	10.6
174.03185	3.0
175.04005	15.3
177.01910	0.8
182.03761	0.7
183.04410	5.1
185.02524	6.9
185.06032	3.0
187.04031	13.7
189.05708	0.8
193.01384	0.9
195.04526	3.3
197.02481	7.8
198.03238	1.5
199.04002	11.2
201.01978	11.9
209.06071	0.8
211.04044	7.3
212.04832	1.5
213.01961	15.7
213.05386	4.9
214.02710	1.2
215.03503	13.6
223.44942	0.7
225.02086	4.4
225.05618	0.7
227.03529	6.8
229.01421	1.0
229.05127	1.4
236.04750	0.9
237.05605	4.1
239.03481	8.9
240.04274	0.9
241.01396	9.8
242.02209	3.2
243.02986	43.0
251.03430	0.7
253.05132	1.0
255.02924	7.2
255.06601	2.7
256.03748	1.1
257.00854	1.3
257.04581	8.0
265.01422	0.8
266.02209	0.7
268.00110	4.5
269.00940	63.0
269.04227	2.5
270.01395	0.9
277.05240	0.8
279.02911	0.9
279.06619	1.2
280.03726	0.9
281.04587	7.1
282.01642	1.1
283.02518	37.2
284.03207	2.4
295.02399	4.1
295.05618	0.8
297.03940	6.3
299.05634	3.6
305.04755	1.3
309.04031	1.3
317.08084	1.3
321.03983	2.5
321.07742	4.1
323.05582	7.8
324.02457	1.1
325.03629	12.4
331.09717	3.1
345.07605	1.0
347.05673	3.5
349.03656	3.4
359.09235	2.7
365.06824	2.6
367.04660	2.9
389.06717	100.0
391.04559	1.1
403.08215	11.9
409.05750	9.3
429.05872	1.0
435.03311	2.0
458.39120	0.8
490.31216	0.8
555.09369	76.8
556.09851	1.2
570.02454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83766	0.4
56.74549	0.4
61.98833	100.0
75.57264	0.4
92.10837	1.1
145.02956	2.6
163.39687	0.5
173.29292	0.6
208.25076	0.6
304.16901	0.5
330.24759	0.6
372.60022	0.6
491.30258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
57.03455	3.1
59.01385	100.0
61.98837	1.4
65.54367	0.3
66.72992	0.3
71.01375	0.5
73.02939	3.4
78.95921	0.5
83.01386	11.0
84.33385	0.3
89.02451	1.6
91.04001	4.2
92.10123	0.8
98.70107	0.3
100.68798	0.4
101.02436	4.1
112.17146	0.3
113.00130	0.3
119.03509	2.5
143.74286	0.3
157.05081	1.8
173.75479	0.4
175.06117	7.4
193.07176	6.4
259.06671	0.4
277.21753	45.3
278.22339	0.4
279.23318	13.3
300.65778	0.3
435.27621	7.0
444.13031	0.4
453.28674	40.3
480.33093	2.9
495.29727	7.5
504.31000	3.6
554.27271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25751	0.8
57.78632	0.7
61.98832	100.0
84.86902	0.9
85.77369	1.0
92.10215	1.0
94.55104	0.9
102.15701	1.0
103.90452	1.0
103.91207	0.8
134.92459	0.9
209.55435	1.0
235.23013	1.0
271.43240	1.0
397.71741	1.0
489.69705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	13.3
71.05026	3.2
123.08155	1.8
125.09716	3.0
129.00339	1.4
151.11298	3.5
161.09779	13.6
179.10783	23.4
197.11859	96.4
223.09798	2.1
241.10796	9.9
243.18181	1.5
255.23314	100.0
297.13403	2.6
315.14621	12.3
320.80194	1.6
331.09079	1.5
363.74954	1.8
553.37561	75.0
568.66400	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	553.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51117	0.3
57.03460	5.2
59.01390	50.3
66.58002	0.4
67.49621	0.4
69.00832	0.4
69.03465	0.8
71.01394	3.2
71.05040	3.2
72.02168	0.5
73.02963	2.1
85.02966	14.9
85.06591	5.6
92.10761	1.0
95.05061	0.7
96.96014	0.7
97.06593	61.7
101.09721	0.5
107.05035	1.0
109.06564	0.7
113.02453	0.8
113.06048	0.7
118.50057	0.5
125.06073	3.7
129.09232	6.9
133.02908	0.5
135.04507	0.9
137.09709	1.0
151.03999	0.9
155.10791	0.5
173.11833	49.9
187.07683	0.7
191.10931	0.5
201.09361	0.6
211.14934	0.7
211.87744	0.4
231.13985	1.0
233.15486	1.0
243.13707	0.6
249.12900	0.6
250.12251	0.6
265.15976	0.9
267.13937	2.8
273.15024	1.0
283.16922	3.2
285.14963	2.7
301.18140	8.2
319.19211	16.4
361.20370	0.5
365.21347	0.6
381.24557	0.6
399.25418	0.9
417.26752	0.7
457.29572	0.9
475.30597	1.1
493.31796	100.0
494.32016	1.9
553.32434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.7
71.01371	4.0
73.02943	0.8
83.01402	1.4
85.02965	3.2
89.02435	1.2
92.10817	1.2
93.03474	1.1
95.01382	0.8
96.96012	5.3
98.95583	2.9
101.02437	1.1
108.02230	1.1
109.02961	0.6
113.02456	4.0
119.05028	0.7
121.02942	13.0
121.06585	0.7
122.03754	7.0
123.03745	0.6
123.04516	5.8
124.01671	0.8
125.02480	0.8
132.02202	2.3
133.02928	7.1
134.03711	2.7
134.15659	0.6
135.04546	7.8
136.01640	0.9
136.05290	26.3
137.02580	0.6
137.06110	5.0
147.04448	0.8
148.01701	0.6
149.02441	41.3
149.06076	4.9
150.03227	100.0
151.04018	14.1
151.07669	3.1
161.02425	1.2
164.04823	12.2
165.05566	54.5
175.64720	0.5
175.81798	0.6
179.03517	0.5
180.04248	3.3
181.05118	4.6
194.05821	0.7
195.06633	44.6
213.10312	1.0
241.08781	0.8
241.13432	0.6
251.07117	0.9
254.61653	0.6
263.94766	0.6
269.08090	2.5
283.09753	11.9
284.10541	3.0
299.09357	1.1
300.09979	1.0
308.10559	0.7
311.09286	13.3
316.09711	0.9
323.12878	1.0
325.10886	2.3
343.11893	97.9
344.12320	1.1
367.12015	4.1
385.13080	1.2
391.14023	97.6
392.14365	1.0
553.17084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0787
Annotation	Sumaflavone
Peak:m/z	Relative Intensity
57.03452	3.2
57.53971	2.7
59.01405	8.0
59.41598	2.8
65.00333	5.9
73.21168	3.3
92.65199	3.4
93.03432	4.6
107.01394	3.9
109.03005	4.3
116.89930	3.2
119.05046	34.7
121.27870	3.4
125.02438	4.8
133.02988	4.2
135.04520	3.4
136.61185	3.1
138.88274	3.5
145.02852	3.5
151.00380	29.7
253.01422	8.2
267.02969	7.4
283.02390	3.7
296.03769	4.5
297.04303	6.7
309.04083	3.4
319.02704	4.4
323.01956	22.9
333.04407	3.7
346.01080	6.1
347.02072	18.3
361.03674	5.5
401.06705	44.9
433.02408	4.4
443.07901	7.7
467.07941	6.5
509.88663	4.0
553.07898	100.0
554.08405	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	552.158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82224	0.3
59.01388	0.7
61.98833	100.0
71.01383	0.3
77.56477	0.3
81.51067	0.3
86.31762	0.3
87.07724	0.3
93.89729	0.2
96.96012	0.7
106.44260	0.3
113.02443	0.6
115.00366	0.5
119.05016	0.5
133.02966	0.7
135.04515	7.4
135.63281	0.3
137.02428	3.9
161.02454	3.3
163.04034	0.5
177.05530	0.5
179.03452	1.5
203.03465	1.3
207.95369	0.3
239.05510	0.6
244.65312	0.3
275.85971	0.3
299.07764	1.2
304.13809	0.3
327.13943	0.3
341.08823	1.7
359.09866	2.5
541.36884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23742	0.6
57.27121	0.6
59.01390	1.0
61.98846	2.1
75.35526	0.7
78.95902	7.0
82.19312	0.9
114.23954	0.8
118.93405	0.8
130.92139	0.9
146.16757	0.8
168.04346	1.4
170.39963	0.9
177.64664	0.8
181.51276	1.0
265.23441	0.9
277.21753	100.0
278.21881	0.9
414.25949	0.9
417.47183	1.0
488.38910	1.0
502.29483	36.5
538.86102	1.0
539.12128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.5
61.97469	0.4
65.03619	0.4
71.01389	2.4
75.12106	0.4
85.02953	0.6
87.44196	0.5
89.02448	2.4
101.02429	3.5
113.02449	1.6
119.03536	0.7
120.37495	0.4
152.99640	0.6
161.04550	0.8
235.08186	0.9
238.42044	0.5
253.09346	8.4
255.23320	100.0
259.78070	0.5
269.25336	0.4
371.11316	0.6
411.36731	0.5
461.32803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
61.98837	1.1
65.25581	0.5
71.01394	3.1
78.95916	1.1
89.02460	2.4
101.02451	3.7
113.02431	1.2
161.04565	1.1
180.75894	0.6
188.27486	0.6
253.09366	11.4
255.23335	100.0
256.23752	1.2
407.50565	0.7
416.24258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31030	0.5
55.01889	1.5
57.03462	1.3
59.01383	65.8
71.01382	12.6
72.99294	1.1
73.02939	5.7
75.00883	0.6
76.41122	0.6
77.40610	0.7
83.01398	3.1
83.22371	0.6
85.02945	13.1
85.05338	0.6
87.00865	8.6
89.02438	1.4
89.14532	0.7
93.03426	0.7
95.01340	0.7
96.96001	10.7
97.02961	0.7
97.64960	0.6
98.74859	0.7
99.00860	1.4
101.02438	9.2
105.25298	0.8
109.02917	1.1
110.28966	0.6
113.02449	15.4
113.09753	1.3
119.03453	0.7
125.02439	1.6
129.01903	0.7
133.02979	5.8
134.03738	1.4
135.04546	1.4
136.01660	5.8
137.02428	1.3
138.04134	0.8
143.10760	1.2
157.86278	0.6
159.04503	0.9
161.02432	5.6
172.05367	0.8
179.03510	1.1
187.07483	1.1
211.53670	0.7
227.16586	1.5
229.08670	2.7
231.10184	0.7
243.19572	0.9
257.08221	2.4
275.09140	1.4
285.20639	3.6
301.20056	0.9
303.21802	18.3
389.25485	3.7
393.26669	0.7
405.25049	1.2
410.83624	0.7
447.25958	12.0
465.27011	19.2
489.27179	2.4
507.28171	100.0
508.28595	1.5
533.16699	1.0
551.30444	3.3
568.31616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.6
59.01382	18.2
59.01655	1.0
59.32866	0.5
66.99931	0.6
68.99827	0.7
70.39230	0.6
71.01376	10.7
72.99331	1.0
73.02963	1.0
76.66712	0.5
83.01397	1.5
85.02937	7.6
87.00866	9.1
89.02460	3.4
95.01400	3.1
96.84737	0.6
96.96004	4.7
97.02980	0.8
101.02447	4.0
105.14027	0.6
109.02925	1.1
111.00896	1.3
113.02441	11.7
119.03509	1.0
121.26240	0.6
123.04522	0.9
125.02446	0.8
129.05591	0.7
133.02922	6.0
134.03740	3.1
135.04520	3.5
136.01636	4.8
137.02440	1.6
138.05614	1.1
146.03751	2.6
159.03316	0.7
159.04492	4.7
160.05263	5.4
161.02460	5.2
163.04025	0.6
172.05305	26.6
172.06728	1.3
173.06078	6.1
174.03195	3.8
174.06871	0.7
175.04027	1.0
176.04868	0.9
177.02026	0.7
178.02773	1.1
179.03497	1.4
183.04449	1.0
185.06096	7.7
186.03256	0.8
186.06783	1.5
187.03989	8.6
187.07613	1.2
196.05362	1.2
197.06117	4.1
198.06918	1.4
199.04034	9.3
199.07593	1.4
200.04776	7.0
201.05600	7.8
202.06421	3.5
204.04326	6.5
209.05946	0.7
211.04062	1.3
211.07591	1.5
213.05640	1.4
213.09256	1.0
214.06357	1.3
215.07191	0.9
227.03510	24.9
227.07048	1.3
227.16626	1.3
228.04279	11.5
229.08708	1.0
241.04984	0.8
241.12439	0.9
245.04565	2.7
255.13777	1.2
257.08279	1.5
257.15485	3.5
267.13925	1.5
275.09174	1.1
281.15536	2.5
283.13409	100.0
301.14471	29.0
303.13654	1.0
303.21817	1.4
309.14987	16.1
311.12979	11.6
325.14450	5.5
327.12384	11.3
327.16101	9.6
329.13980	15.0
335.12949	1.0
343.15521	1.5
345.13416	8.7
345.17126	27.6
353.13974	7.3
369.13470	1.0
371.15030	54.7
372.15427	1.0
387.14557	8.6
389.16223	1.4
389.25558	4.9
406.35831	0.8
410.08563	0.8
413.16183	7.5
417.15546	3.1
431.17035	8.3
443.17416	0.9
447.16629	3.4
461.18451	1.2
473.18448	2.6
491.19330	5.5
507.19055	2.8
507.28122	5.2
551.21411	11.9
551.30859	3.8
567.46576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
59.01382	18.1
64.93208	0.5
66.82407	0.4
68.99821	0.6
71.01384	5.6
72.99291	0.6
73.02968	0.8
75.00888	1.0
76.56915	0.5
83.01385	1.1
85.02941	5.2
87.00881	6.1
87.27533	0.5
89.02443	2.9
92.10063	0.6
95.01392	3.0
96.96027	3.0
101.02448	2.6
109.02977	0.9
111.00883	0.8
113.02447	6.3
119.03436	0.5
133.02934	3.6
134.03705	1.0
135.04533	0.9
136.01678	0.7
137.02428	1.9
146.03731	1.0
155.07320	0.5
159.04507	3.8
160.05287	3.5
161.02425	3.3
172.05301	22.8
173.06146	3.6
177.01836	0.6
178.02660	0.8
179.03430	0.8
183.04549	1.1
184.05200	0.8
185.06050	4.2
186.06808	2.5
187.03990	6.5
187.07587	0.7
196.05299	0.5
197.06076	5.6
198.06882	2.6
199.04024	17.0
199.07703	0.7
200.04799	9.3
201.05559	4.1
202.06375	3.3
202.14137	0.5
203.03600	0.5
204.04292	5.4
211.04022	2.7
211.07689	3.0
213.05579	1.9
214.06367	2.9
222.85201	0.6
224.04799	0.6
227.03514	44.7
227.07092	1.4
228.04298	15.8
230.05740	0.7
232.03741	2.6
239.14395	0.5
240.04192	0.6
255.13947	2.1
257.08212	0.8
257.15463	3.4
265.12344	0.7
267.13901	3.0
275.09488	0.5
275.13135	0.6
283.13425	100.0
284.13669	2.3
285.14926	0.7
298.27899	0.5
301.14481	26.4
303.21649	0.6
307.13455	1.0
309.15012	19.1
311.12927	12.8
325.14554	5.5
327.12415	5.8
327.16104	9.7
329.13922	6.6
343.15723	1.2
345.13361	4.8
345.17117	31.6
353.13931	11.4
371.15048	87.6
372.15298	1.8
387.14542	2.0
389.16315	0.6
389.25256	0.6
431.16916	3.7
465.26691	0.9
491.19333	0.6
507.19901	0.9
507.28296	5.7
545.52820	0.6
551.21283	4.9
551.29968	0.9
576.45398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89460	1.3
57.03465	2.5
59.01387	22.9
62.75866	1.3
71.01395	7.7
73.02969	2.4
73.82664	1.3
75.00883	1.9
76.00373	1.3
83.01385	1.8
85.02959	24.0
85.55926	1.3
86.00137	1.3
87.00882	27.5
89.02429	2.5
95.01421	2.4
96.96015	37.0
101.02480	2.9
106.06657	2.0
109.02969	3.3
111.00890	2.8
113.02458	33.2
114.55571	1.3
124.07681	1.8
129.01958	2.6
132.02171	2.6
133.02936	19.1
133.75171	1.6
134.03725	11.8
134.06117	14.9
135.04504	8.3
136.01611	11.9
137.02432	12.1
144.67194	1.6
147.02884	1.8
158.03714	1.6
159.04546	2.8
160.01678	2.0
160.05261	3.3
161.02480	15.9
172.05283	20.8
173.06050	5.9
174.03166	1.6
177.01872	3.5
177.05609	2.7
178.02730	1.8
178.05083	3.3
179.03445	2.4
185.06105	3.3
186.06813	1.8
187.04001	8.0
187.07608	2.1
188.04657	1.7
197.06142	4.8
199.04022	9.9
200.04776	3.5
201.05620	3.1
204.04269	2.3
213.05659	1.8
227.03548	25.9
228.04329	10.4
231.10226	1.9
233.08113	2.0
245.04408	2.7
255.14046	1.9
256.72668	1.5
257.08356	1.7
257.15445	2.7
275.09354	3.1
283.13440	100.0
283.16675	3.4
301.14487	27.2
309.15039	20.1
311.12970	9.4
325.14529	5.9
327.12451	7.5
327.16113	14.1
329.14011	8.7
329.23300	3.0
342.23434	3.1
343.15411	1.8
345.13358	9.5
345.17130	28.1
345.52765	1.5
353.14102	10.3
371.15030	48.3
372.15497	2.1
387.14490	7.5
387.24081	2.1
388.24326	3.4
389.25217	7.2
413.16574	4.6
431.17099	2.9
447.16672	2.1
461.19116	2.4
491.19217	6.9
507.27884	1.7
551.21405	14.8
551.29535	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	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16767	0.5
54.64740	0.5
57.03433	0.6
59.01379	4.2
60.95393	0.5
61.98827	4.1
71.01384	3.5
72.70986	0.5
73.02946	0.6
74.10538	0.5
79.60939	0.6
85.02962	4.0
87.00877	6.3
89.02456	0.6
93.03458	3.3
95.01402	1.1
96.96015	3.7
101.02433	0.8
107.01463	0.6
109.02919	1.0
113.02448	7.9
113.11652	0.7
117.03485	0.6
119.05066	0.8
121.02144	1.1
121.02959	23.2
122.03745	11.8
123.04547	1.0
125.02451	3.3
132.02187	5.1
133.02971	10.9
134.03752	57.1
135.04539	6.2
136.01665	1.1
136.04898	0.6
136.41556	0.6
137.02448	7.2
139.04063	2.1
147.04532	4.2
148.05276	0.7
149.02452	37.0
149.06097	17.0
150.03235	100.0
151.00371	0.7
153.01923	1.2
160.01674	21.1
161.02455	17.4
162.02773	8.2
163.03992	0.9
164.04768	7.8
165.01878	1.3
165.05573	81.2
175.02509	0.8
175.04015	21.1
176.04810	7.3
177.01941	0.8
178.02734	27.2
179.03394	1.2
180.04294	7.4
191.07126	4.5
192.00098	0.7
193.05075	75.7
195.06644	32.4
195.08022	0.8
220.03693	0.8
221.06099	1.4
222.06937	0.7
234.06920	1.3
235.05869	4.3
238.06319	0.9
239.07146	3.8
250.06319	4.6
251.07143	0.7
253.08806	1.2
254.09390	1.5
267.06622	3.7
282.09064	15.8
285.04211	0.9
297.11340	1.4
323.07785	0.8
324.08002	1.2
326.08011	1.0
341.10355	44.4
355.10556	1.2
383.11356	4.1
389.12451	25.3
411.09247	0.8
412.09735	3.6
428.40619	0.7
431.13571	0.8
456.12488	5.8
551.17670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81865	0.5
56.33461	0.4
57.03452	0.6
59.01377	5.7
61.98842	2.7
71.01388	3.2
78.91925	0.5
82.24106	0.5
84.20650	0.6
85.02976	3.8
87.00851	5.4
89.02460	1.0
92.64091	0.6
93.03461	3.2
93.89310	0.6
96.96030	2.7
101.02474	1.1
105.03508	0.6
107.05002	0.6
109.02969	1.3
111.00880	0.8
113.02460	7.1
119.03444	0.7
119.05035	0.7
121.02944	21.9
122.03727	12.1
123.04524	1.2
125.02449	4.1
132.02179	6.0
133.02948	11.7
134.03740	59.4
135.04515	7.3
136.01622	0.7
137.02425	8.4
139.01295	0.5
139.04039	2.4
147.04474	4.5
148.05321	1.4
149.01453	0.5
149.02440	37.4
149.06085	17.1
150.03224	100.0
151.03986	1.0
153.01918	0.9
160.01654	23.9
161.02423	17.1
162.02760	7.8
163.04027	1.3
164.04788	6.6
165.01840	1.3
165.05556	84.1
175.04004	21.0
176.04791	4.9
177.01889	1.2
178.02713	26.2
179.03510	1.4
180.04262	6.9
189.05588	0.6
189.17931	0.6
191.07141	3.4
193.05060	74.3
195.06624	35.0
205.06665	0.8
206.02823	0.6
217.05032	1.4
220.03748	0.8
221.06229	2.0
222.07222	0.6
223.44447	0.5
224.16162	0.6
233.06059	0.9
234.07010	0.7
235.05986	6.0
238.06229	0.8
239.07158	6.3
249.05664	0.9
250.06444	5.7
251.07132	1.0
253.08768	2.3
254.09514	0.9
257.32944	0.8
267.06595	3.5
269.04620	0.6
282.08945	14.6
297.11447	1.0
303.97827	0.6
324.08112	1.3
341.10336	46.2
355.10605	2.5
383.11447	4.4
389.12457	27.1
411.09149	0.8
412.09619	4.6
424.25549	0.6
431.13678	0.8
456.12668	4.3
510.91946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13764	0.5
52.96790	0.5
55.01890	0.7
57.03456	20.0
59.01382	11.4
66.75784	0.8
67.01917	1.0
71.01384	7.5
72.99325	1.3
73.02946	0.7
75.00871	4.8
78.95908	5.6
81.71378	0.7
83.01403	4.9
85.02968	5.9
87.00873	100.0
88.01223	0.7
89.02457	2.2
96.96959	8.4
99.00877	7.5
101.02444	6.8
103.46232	0.5
110.98535	0.8
111.00865	8.7
117.01978	0.8
119.03486	1.1
129.01935	24.8
130.99889	0.8
139.25148	0.6
140.97792	0.5
147.02997	19.8
147.04111	1.0
148.55319	0.5
165.04086	0.9
191.01981	43.5
195.05032	0.9
209.03008	14.8
259.02213	0.7
466.65027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43272	2.2
59.01385	10.4
61.98838	33.2
71.01403	15.4
75.00881	5.8
84.18443	2.5
87.00870	20.2
92.10780	3.2
93.03481	4.3
96.96019	20.4
99.00874	3.5
109.02975	3.2
113.02489	3.6
115.00368	100.0
115.01131	4.5
119.05038	25.0
133.06592	6.4
134.03737	2.8
147.04587	3.2
157.01491	3.5
174.01709	18.4
175.02493	49.6
175.03940	7.2
177.05563	16.6
187.04018	6.3
189.05565	12.0
191.05632	3.5
191.07182	13.1
195.05016	3.0
205.05063	3.3
206.31906	2.5
217.05023	11.9
230.83156	2.5
259.06061	4.7
261.04062	3.4
291.08783	29.4
293.06589	3.3
455.11801	28.6
551.11798	4.6
569.15198	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74320	0.5
55.36563	0.7
57.03454	11.9
57.03677	0.7
59.01385	10.2
63.02416	0.6
65.00339	3.0
71.01408	1.7
73.02971	1.5
78.95917	0.8
79.95763	1.4
83.01398	5.6
85.02982	4.3
87.00891	6.5
89.02445	0.8
92.10758	1.0
93.03494	0.9
95.01455	0.9
96.96012	100.0
97.02952	0.7
97.95971	0.8
98.95610	12.4
98.96448	1.4
101.02470	1.6
101.30505	0.7
107.01402	4.1
109.02964	5.2
111.00868	0.8
113.02463	8.5
116.92836	1.0
121.02956	3.4
123.04562	4.5
124.01665	4.3
125.02444	84.8
128.03508	0.9
130.35306	0.9
133.02924	5.7
135.04529	3.6
137.02437	3.9
139.03972	1.0
143.04593	1.3
146.03716	0.8
147.04536	1.2
149.02454	8.2
150.03210	3.7
151.00400	16.7
151.03947	7.1
152.01169	10.8
153.01949	12.1
158.03687	1.3
159.04500	1.0
161.02452	11.0
161.06036	1.0
162.02876	1.3
165.01848	0.9
165.05486	0.7
169.01494	1.4
171.04407	1.6
172.05315	0.8
173.02365	0.9
173.06085	1.5
174.03214	4.2
175.04019	19.4
177.01936	18.6
178.99870	11.0
179.03574	0.9
181.01440	1.8
183.04536	0.9
187.07695	5.8
188.04802	2.9
189.05548	5.5
191.03453	0.9
193.05022	1.1
199.04060	12.4
201.01923	3.5
213.05652	2.8
213.09230	1.2
215.07201	4.8
216.04204	1.0
217.05060	10.6
231.06743	3.0
234.21066	0.7
238.80331	0.8
241.05084	7.5
257.04660	1.2
257.08221	5.0
259.06097	4.8
267.66290	0.7
271.40228	0.8
275.05637	4.6
284.10406	1.2
285.00818	1.4
285.04071	45.4
299.12943	2.7
303.05148	33.4
306.07721	1.6
388.12659	0.9
389.25449	1.1
507.11435	35.3
551.16272	4.2
551.30676	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37483	0.1
59.01391	0.9
69.25844	0.1
71.01385	0.7
75.00874	0.2
79.95733	1.7
85.02956	0.7
87.00864	0.2
95.05031	0.1
96.96004	100.0
98.95589	0.2
101.02433	0.8
109.02933	0.2
111.00854	0.2
113.02469	0.2
119.17034	0.1
122.03726	0.3
123.04510	0.3
125.02417	0.7
129.01949	1.8
133.02960	0.9
134.03741	3.5
135.04527	1.6
137.02443	0.3
144.06561	0.1
144.36143	0.1
147.04512	0.1
149.02411	1.0
149.06068	0.3
150.03229	2.3
151.04036	1.0
153.01968	0.2
161.02451	2.8
165.05562	2.0
178.02740	1.9
179.03506	0.7
180.04219	0.1
181.05092	0.2
181.69998	0.1
193.05093	2.8
195.05087	0.6
195.06718	0.2
285.04095	0.3
303.05112	0.5
303.08685	0.2
341.10156	0.6
357.05939	0.2
389.12399	2.3
447.09186	0.3
453.10394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10661	0.2
55.96431	0.2
57.03452	0.5
59.01388	1.3
61.98831	1.1
73.02988	0.3
78.91892	0.4
79.95744	1.6
81.03443	1.5
83.01382	0.4
85.02944	1.1
87.00870	2.2
89.02464	0.4
93.03446	0.5
95.05032	0.5
96.96008	100.0
97.02942	0.3
99.04505	0.5
101.02424	0.6
109.02940	0.5
111.00873	0.4
113.02457	2.0
119.43976	0.2
121.02980	1.0
122.03720	1.2
123.04476	0.5
125.02442	3.2
129.01933	1.8
132.02147	0.6
133.02956	4.3
134.03761	5.8
135.04543	1.8
137.02431	1.2
149.02446	2.9
149.06000	1.7
150.03235	9.4
153.01857	0.3
160.01663	3.2
161.02443	10.9
162.02771	2.3
162.93996	0.2
165.05580	9.2
167.03473	6.7
167.04869	0.3
175.04033	2.6
176.04726	0.4
177.01924	0.4
178.02718	3.1
179.03503	1.4
180.04242	0.4
190.09074	0.2
191.07181	0.5
193.03320	0.3
193.05084	8.0
195.06647	3.6
197.04555	0.6
200.99132	0.3
203.03543	0.4
235.02452	1.0
235.06117	0.5
282.09030	0.3
303.05188	0.3
341.10086	1.4
345.06223	1.5
389.12329	1.3
411.09409	0.4
412.09717	1.2
453.10373	1.8
455.11996	0.4
456.12476	1.7
527.39368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37483	0.1
59.01391	0.9
69.25844	0.1
71.01385	0.7
75.00874	0.2
79.95733	1.7
85.02956	0.7
87.00864	0.2
95.05031	0.1
96.96004	100.0
98.95589	0.2
101.02433	0.8
109.02933	0.2
111.00854	0.2
113.02469	0.2
119.17034	0.1
122.03726	0.3
123.04510	0.3
125.02417	0.7
129.01949	1.8
133.02960	0.9
134.03741	3.5
135.04527	1.6
137.02443	0.3
144.06561	0.1
144.36143	0.1
147.04512	0.1
149.02411	1.0
149.06068	0.3
150.03229	2.3
151.04036	1.0
153.01968	0.2
161.02451	2.8
165.05562	2.0
178.02740	1.9
179.03506	0.7
180.04219	0.1
181.05092	0.2
181.69998	0.1
193.05093	2.8
195.05087	0.6
195.06718	0.2
285.04095	0.3
303.05112	0.5
303.08685	0.2
341.10156	0.6
357.05939	0.2
389.12399	2.3
447.09186	0.3
453.10394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41497	0.3
59.01382	12.5
61.98842	0.4
62.23885	0.3
63.17371	0.3
71.01381	5.7
71.05936	0.3
73.02961	0.3
80.05065	0.8
83.01402	0.5
83.11810	0.3
85.02972	2.2
87.00892	0.4
89.02435	7.9
95.01393	0.4
96.04534	3.0
96.96032	0.5
101.02442	4.9
106.09832	0.4
113.02446	2.7
117.03471	0.5
119.03503	4.5
132.02188	1.2
133.02951	40.9
134.03699	1.8
135.04518	19.2
138.05585	0.7
143.03572	0.4
147.04579	0.4
149.06091	0.7
161.02449	100.0
162.02806	0.6
166.08777	0.5
171.76814	0.3
175.03981	0.7
177.05580	1.6
178.85704	0.4
179.03499	7.1
179.05026	0.5
179.05708	0.5
182.08295	1.7
203.03558	3.2
224.09337	0.5
289.83563	0.3
306.07623	0.5
341.08917	0.5
344.13541	10.4
388.12579	15.9
497.23526	0.3
506.16425	0.8
532.14783	1.5
550.15741	50.0
551.15820	0.7
552.70691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21603	0.7
59.01385	3.1
61.98833	16.2
61.99122	1.0
62.60962	0.6
70.43349	0.6
71.01373	1.2
74.02496	0.7
85.02966	4.2
87.00879	21.2
88.98786	0.8
89.82195	0.8
92.91354	0.7
96.96002	4.9
109.02936	1.4
113.02446	11.0
116.92858	1.2
124.08500	0.7
129.44348	0.7
133.02951	26.7
134.03743	0.9
135.04533	17.7
149.02403	1.4
152.01149	0.7
153.01915	1.4
161.02448	100.0
177.01894	5.4
179.03500	18.7
193.05043	1.3
203.03442	3.3
221.04660	1.4
323.07776	13.7
341.09079	5.6
391.10626	0.8
411.09396	22.4
437.10727	4.0
439.85580	0.8
455.12036	29.9
509.55890	1.0
515.31891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19073	0.3
57.03466	0.4
59.01388	1.6
61.98832	15.1
66.09846	0.3
69.88712	0.3
71.01389	1.1
85.02956	5.4
87.00872	23.1
89.02438	0.4
92.10178	0.4
92.74033	0.3
95.94933	0.3
96.96019	3.3
109.02981	1.4
113.02448	13.4
117.03465	0.3
125.02444	0.7
132.02171	0.5
133.02950	25.0
134.03745	0.6
135.04521	13.5
153.02002	1.3
161.02454	100.0
162.02785	0.4
175.04031	0.4
177.05606	0.5
179.03505	11.6
195.03171	0.5
203.03468	2.3
225.59109	0.3
255.05144	0.6
281.06500	0.5
291.12628	0.3
323.07751	12.0
323.11426	0.6
341.08701	4.9
350.87100	0.3
411.09378	21.3
437.10986	3.5
455.12027	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	549.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36566	1.0
57.03452	1.5
59.01391	1.1
61.98845	1.1
69.03458	4.9
71.05055	1.9
77.13865	1.0
78.94015	1.1
78.95920	1.1
85.98512	1.2
108.22868	1.0
116.59732	1.2
120.73839	1.4
123.08211	1.3
124.92244	1.2
125.09744	1.7
130.65503	1.3
151.11328	2.9
153.09190	1.6
153.12897	2.7
161.09682	2.3
179.10768	9.0
197.11848	86.5
230.45314	1.1
241.10834	100.0
289.18143	1.9
307.19165	2.3
464.15909	1.2
469.29016	1.3
549.30536	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	549.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.7
59.01383	13.7
62.45733	0.9
71.01380	6.4
71.05032	4.5
72.99301	1.2
73.02950	1.4
74.00852	0.9
74.81596	0.9
75.00869	11.0
81.03451	0.9
85.02950	8.1
87.00893	4.8
87.06592	0.9
89.02451	2.1
92.10101	2.7
96.96001	2.1
99.00887	1.2
101.02465	5.1
111.00880	1.6
129.01944	13.1
133.02927	7.5
134.03734	2.2
135.04555	3.9
137.02516	1.1
138.55743	0.9
155.10637	0.9
159.02948	1.8
159.04440	1.4
161.02425	5.8
167.14415	1.1
173.06145	1.1
177.01923	2.0
177.04030	1.6
177.05493	0.9
179.03529	3.4
182.19922	1.0
183.13832	1.0
189.03931	0.9
194.70839	1.0
195.05095	18.4
200.04871	1.0
201.05598	1.3
201.09225	1.7
209.80539	0.8
211.07527	1.0
214.06392	1.5
220.03758	0.8
221.04550	1.1
227.14430	1.1
227.16574	8.4
229.08736	2.1
239.16408	1.9
265.21796	1.3
275.09283	1.5
277.21555	1.2
281.21216	3.7
283.13467	1.4
284.47366	0.9
293.21231	21.7
295.22729	8.5
299.16437	1.2
305.21194	2.0
307.22943	1.4
313.07144	1.1
323.22089	1.4
325.23874	17.8
327.16132	1.2
327.21777	3.4
341.23340	38.9
341.27264	1.9
353.13992	4.1
357.22818	2.2
369.22827	2.2
371.14941	4.0
387.23920	100.0
388.24200	1.0
429.24997	6.4
433.35605	1.2
452.09369	1.3
493.24219	1.1
549.16223	1.4
549.29254	36.3
550.29083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.02938	0.1
66.74734	0.1
68.62824	0.1
68.67074	0.1
71.01389	0.3
78.95897	2.8
79.95732	1.9
81.65890	0.1
84.75005	0.1
85.02960	0.3
87.00916	0.1
89.02451	0.5
96.96006	100.0
96.96886	3.3
99.92584	0.3
101.02448	0.5
109.02950	1.3
113.02454	0.3
116.92863	5.9
117.84218	0.1
117.92890	0.2
123.04534	0.1
125.02441	0.2
126.54359	0.1
133.02943	1.6
135.04507	1.0
141.73285	0.1
143.04582	0.1
145.02930	0.1
151.00360	0.4
153.01970	1.2
160.27757	0.2
161.02449	3.3
187.07579	0.2
195.03020	0.8
255.05104	0.6
279.03055	0.3
280.03452	0.2
283.05811	0.1
301.16599	0.2
306.07654	0.1
315.07132	0.2
388.12640	0.4
537.57666	0.1
549.23157	0.2
550.16150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08512	68.0
53.09294	68.3
53.51515	70.8
59.02139	72.5
66.67343	74.0
80.03998	81.9
85.02390	88.8
102.90994	85.8
167.92442	93.3
184.75018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65443	1.1
55.01889	1.8
57.03463	7.9
59.01384	26.7
61.98849	1.4
66.46178	1.1
69.03463	1.2
71.01382	26.0
72.99332	1.6
73.02954	1.5
75.00874	49.0
79.00335	1.0
81.03478	1.3
85.02975	12.2
85.19532	1.2
87.00877	12.4
89.02475	2.6
96.96033	2.5
99.00900	7.9
99.04546	1.4
101.02426	11.4
110.58554	1.0
111.00910	2.9
129.01947	39.3
132.02095	1.3
133.03017	9.7
134.03740	2.4
135.04559	7.4
137.02431	1.4
146.03754	2.5
147.04500	1.3
148.05240	1.9
157.08714	6.3
159.03001	11.0
159.04442	4.5
160.01680	1.5
161.02460	5.6
171.04465	1.4
172.05292	6.2
173.06001	1.4
174.03136	1.9
177.04031	6.4
178.02710	1.4
179.03555	4.1
183.04520	9.8
185.02451	1.1
185.06018	2.4
186.06886	2.7
187.07660	4.8
195.05122	100.0
196.05301	2.2
197.06079	7.9
198.40431	1.1
199.03996	1.4
199.07674	2.5
200.04829	2.9
200.08455	1.3
201.05638	1.4
201.09242	7.9
203.10788	8.1
209.06042	1.2
210.07062	1.3
211.04063	8.7
211.07690	8.6
212.08463	1.7
213.05565	4.3
214.06374	1.9
215.07236	2.7
223.07588	1.5
225.05502	2.0
226.06389	2.9
226.09984	5.5
227.03601	1.5
227.07198	6.3
227.10812	6.5
227.16463	1.3
229.08716	17.3
231.10188	2.1
237.05577	2.1
237.09254	1.5
239.03542	1.7
241.12360	4.5
242.09415	1.5
251.10841	2.9
252.07845	1.7
253.08615	1.5
255.06709	5.6
255.10313	5.5
255.13934	17.3
257.08255	16.7
269.11880	5.5
270.09152	2.0
270.12671	6.9
275.09271	6.3
281.15491	7.6
283.13507	7.0
296.10498	1.7
299.12915	5.3
299.16605	10.4
309.15060	4.5
313.07227	1.4
317.10385	1.2
327.16113	17.5
327.21817	15.0
353.14032	16.3
371.15018	19.0
377.12286	1.3
387.23889	13.0
419.13492	1.4
437.14319	1.8
452.09708	1.4
505.26743	1.3
549.15784	11.0
549.29645	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	549.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01379	1.2
54.90664	1.2
55.01881	1.8
57.03458	5.0
59.01385	23.6
62.20674	1.3
68.99831	1.5
71.01392	11.4
73.02947	3.2
75.00900	2.7
76.56978	1.6
78.23448	1.4
81.03458	1.6
83.01410	2.9
85.02955	23.9
87.00902	5.8
89.02462	2.9
99.00871	2.4
99.04536	2.3
101.02451	31.7
110.53960	1.4
111.00908	6.4
113.02497	5.0
116.92892	2.0
125.09725	1.4
129.01941	100.0
136.76222	1.6
139.04283	1.5
158.03720	1.4
159.04501	8.4
161.02461	2.1
171.04521	1.8
172.05324	17.0
173.06075	2.4
175.03987	5.2
177.04092	5.0
183.04504	6.5
185.06055	1.9
186.06880	5.2
187.03990	6.4
187.07655	86.4
189.01906	2.0
189.05560	28.3
195.05122	2.6
199.04053	5.8
200.04799	7.8
201.05516	7.9
202.06377	1.4
204.04382	1.4
211.07672	1.9
213.09204	5.2
214.06441	2.0
215.07164	26.1
215.12822	3.1
227.03535	9.6
228.04298	5.0
229.08751	11.6
231.06645	23.8
231.10208	1.8
255.10234	2.8
257.08237	25.3
272.06860	1.4
273.07700	17.2
275.09088	2.1
280.11163	2.2
291.07224	7.0
299.09482	2.3
303.08896	1.8
309.15198	2.2
317.10391	2.1
327.21942	3.2
333.09750	13.5
341.10327	8.4
343.11475	2.1
353.14084	7.8
375.10892	1.9
377.12396	6.9
393.11850	4.8
401.12595	6.9
437.14832	1.8
461.14801	16.0
505.26471	2.7
549.16211	8.7
549.29156	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	549.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03569	1.3
57.03454	3.2
59.01388	6.9
67.04733	1.3
70.06082	1.4
71.01386	3.3
72.99345	1.7
75.00879	7.7
85.02966	14.8
85.21371	1.7
87.00873	30.0
89.78619	1.4
95.01375	2.7
96.96001	11.5
97.02905	1.7
99.00886	1.6
111.00889	56.6
121.02926	3.7
123.00886	100.0
124.01638	17.4
129.01950	9.6
135.04546	2.0
138.03227	69.1
139.04008	29.6
149.02428	1.6
159.03015	2.0
163.03969	2.0
173.00955	2.1
181.05109	3.5
191.02003	38.5
195.05075	23.8
276.01260	1.8
301.09296	10.3
343.10388	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
59.01390	33.8
71.01386	17.5
73.02942	12.6
74.32903	1.6
75.00910	2.0
76.08477	1.7
85.02930	12.4
87.00889	8.3
87.82638	1.9
89.02475	3.8
93.03440	1.5
96.96009	2.4
99.63327	1.7
101.02445	11.0
109.02973	3.8
111.00893	1.8
113.02465	4.4
121.02969	10.2
125.02419	2.1
125.09736	2.4
129.01933	12.1
130.65608	1.7
133.02971	10.8
135.04506	4.5
137.02415	2.6
144.06084	1.7
147.64027	1.8
151.00418	4.3
153.02013	12.2
159.04495	2.6
161.02441	7.8
165.02016	2.6
171.04497	3.2
177.04173	2.4
179.03525	8.3
183.04573	2.1
185.06161	3.7
187.07648	13.7
193.05067	7.0
195.03055	4.4
195.05003	3.9
196.05353	2.4
197.06123	10.0
209.06142	6.8
213.05600	13.5
215.03625	1.9
215.07178	10.8
215.12958	12.8
224.04848	3.4
225.05644	23.6
231.10164	2.3
237.05573	3.8
239.03560	1.8
239.07158	3.4
240.04189	3.7
241.05093	39.5
243.03065	2.5
251.07162	2.5
253.05040	22.4
255.02835	2.4
256.07480	15.3
257.04507	2.4
257.08289	9.3
267.06662	3.9
268.03906	3.3
268.07422	3.2
269.04608	11.3
271.02509	3.7
271.09634	2.9
273.07721	3.0
281.04501	6.7
283.06168	2.9
283.13541	3.6
284.06906	3.6
285.03979	5.8
291.07169	3.1
295.06189	3.1
296.07010	12.9
297.04053	38.6
297.07184	3.5
300.03107	4.1
300.06448	19.4
301.03586	2.7
311.05499	6.5
311.13062	4.4
312.06497	24.3
315.08792	69.8
327.08807	100.0
345.09860	8.5
347.99557	1.8
357.09875	3.3
369.09933	17.1
371.15036	3.4
387.23993	24.0
445.24698	2.7
472.10501	2.1
505.09497	2.5
549.16199	7.4
549.29468	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	549.0895
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
63.02420	0.4
64.76813	0.3
65.00353	1.5
67.66383	0.3
75.18269	0.3
83.01385	0.7
107.01408	3.2
108.02169	2.8
109.02962	2.3
110.26018	0.3
117.94491	0.3
119.01369	0.5
121.02950	3.1
124.01630	0.3
135.00885	1.5
148.01717	2.1
151.00385	11.6
153.01904	0.6
159.04352	0.6
161.02487	0.6
163.00381	3.3
164.01143	0.4
178.99884	4.1
187.03958	0.5
196.47823	0.3
199.04066	0.7
201.05649	0.4
203.03494	0.4
211.03993	1.8
215.03539	0.8
216.04182	0.5
226.02760	2.1
227.03519	4.6
229.05058	0.5
239.03664	0.4
243.02995	14.5
245.04535	1.3
254.02332	2.9
255.03018	36.2
271.02505	71.9
272.03214	2.6
283.02393	0.7
299.01947	1.8
300.02786	100.0
300.98471	0.5
301.03558	34.1
463.08972	3.4
505.09979	56.5
506.10229	0.5
525.91510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82364	0.3
59.01388	0.9
59.27318	0.3
60.00843	0.3
64.76701	0.3
77.03971	1.5
93.03433	0.4
121.02951	100.0
122.03284	0.6
165.01933	33.0
180.05841	0.5
181.06618	3.1
197.05988	2.9
207.04555	0.7
208.14937	0.3
225.05589	1.6
257.09702	0.5
357.06021	0.4
383.07843	0.4
417.09848	1.4
505.11496	0.7
549.10443	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	549.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02155	0.3
59.01390	2.1
71.01393	0.6
73.02962	0.6
78.95908	0.6
79.95746	0.3
85.02936	0.8
87.00830	0.4
96.96005	40.0
96.96983	1.4
99.92583	8.7
109.02954	2.1
113.02461	0.7
116.92855	100.0
133.02856	0.5
135.04509	1.4
143.14531	0.3
152.01167	0.5
153.01938	2.3
161.02438	1.3
195.02969	2.3
255.04761	1.0
277.81845	0.3
279.02859	0.7
281.17691	0.4
283.06104	1.7
301.16455	0.5
310.85791	0.4
311.05524	1.9
319.55887	0.4
320.02637	0.4
375.04416	0.4
431.09824	1.7
534.85571	0.4
546.22626	0.4
569.41534	0.4
578.69446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27598	1.0
54.43388	0.7
59.01386	22.0
60.54391	0.8
67.96400	0.9
71.01387	1.5
76.57206	0.9
96.96027	4.1
113.02472	1.4
117.03454	11.2
119.05014	34.3
133.06540	1.2
145.02956	100.0
160.04027	3.8
161.04414	2.1
161.06070	3.6
163.04002	35.6
164.04274	1.3
204.03047	0.9
205.05109	5.0
217.05078	1.0
235.05997	1.1
265.07233	1.5
325.09314	39.2
329.10760	1.1
527.99084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00504	0.8
59.01382	4.2
61.98832	100.0
71.39841	1.0
81.68170	0.9
100.40994	0.9
109.02973	10.3
120.11950	0.9
135.04520	2.0
159.04501	5.9
161.02377	1.1
168.40503	0.8
173.06100	1.2
185.06064	2.1
187.04074	1.4
197.06155	1.2
199.03932	1.2
213.05560	6.1
224.04707	0.9
229.05116	1.5
240.04277	1.2
241.05072	20.4
242.05418	1.3
243.06633	9.6
248.23570	1.0
253.05159	1.3
265.04852	1.3
291.06577	1.3
375.08792	9.7
485.12485	46.2
487.12668	1.9
488.13028	3.9
546.09045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03747	2.2
52.72699	1.9
59.01389	42.3
71.01391	18.3
73.02958	12.7
75.00871	11.0
81.03480	3.4
85.02953	11.6
88.24986	2.6
89.02446	11.1
93.03458	11.2
96.96005	5.1
101.02444	11.1
107.01436	2.9
109.02960	78.8
113.02454	6.2
117.03483	28.0
119.05035	72.5
119.05830	3.4
121.02936	4.5
123.04552	6.2
133.02939	3.3
133.06648	9.3
135.04533	9.9
135.08173	5.8
145.02980	83.8
147.04538	5.6
152.01170	4.8
153.01962	100.0
159.04553	5.4
161.02411	9.9
161.06075	18.4
163.04024	51.5
177.05582	14.3
179.10780	12.1
187.03993	14.2
189.12933	5.7
195.03099	20.2
205.05055	6.4
233.11897	15.9
253.09186	6.1
269.08255	6.1
279.05084	2.9
283.09860	5.1
297.06348	3.4
339.07272	18.9
341.10788	3.0
343.11813	17.6
346.05310	3.2
349.09250	10.0
495.49347	2.9
503.12018	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.11
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01401	3.8
63.00472	0.5
63.11945	0.6
64.33863	0.5
84.22348	0.7
85.02954	0.9
91.46921	0.6
93.03492	0.8
96.96017	3.3
97.12006	0.8
101.02468	0.6
107.01371	0.9
109.02937	0.8
113.02449	1.0
119.05028	0.9
125.02480	1.5
129.61687	0.6
133.02974	0.8
135.04424	0.7
137.25920	0.6
149.02403	0.7
151.00349	4.3
153.01941	3.2
157.96664	0.8
159.04549	0.9
161.02452	2.5
161.15807	0.7
179.03606	0.6
181.15849	0.6
195.02979	0.8
199.04028	1.4
200.04784	4.0
211.04008	1.5
212.04840	1.0
214.69844	0.7
215.71333	0.6
227.03503	7.0
228.04196	1.1
239.03427	2.8
240.04346	1.0
241.05232	1.0
243.06804	0.9
255.02988	29.4
255.05147	1.7
256.03836	12.3
269.04553	5.5
283.02484	13.5
284.03290	100.0
285.04031	11.0
286.04178	0.8
297.03979	6.6
299.05621	44.1
300.05951	0.8
344.48251	0.6
503.12042	50.6
504.12180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.5
59.01666	0.5
65.00333	1.0
73.02946	0.7
85.02942	0.6
88.98785	0.7
89.02464	0.8
107.01408	1.0
113.02483	0.5
125.02429	0.8
133.02965	6.2
134.03732	0.7
135.00861	0.6
135.04514	1.2
136.85167	0.5
137.02441	0.7
138.97075	0.5
149.02460	0.7
151.00374	9.6
153.01884	1.0
155.04955	0.5
161.02438	2.2
171.56419	0.6
172.55168	0.5
172.59972	0.5
173.02383	0.6
177.01938	0.8
183.04526	3.2
184.05251	0.7
188.04666	0.7
192.01466	0.5
195.03056	0.7
198.03198	0.6
199.03987	5.0
200.04814	2.7
208.15710	0.5
211.04063	6.2
212.04807	1.2
223.54202	0.5
227.03545	16.7
228.04320	2.7
239.03661	3.7
240.04266	1.1
241.05070	1.1
255.03027	15.3
256.03815	17.0
257.04449	0.7
269.04654	2.1
283.02554	8.3
284.03290	95.0
285.04056	25.9
297.04141	6.5
298.04831	3.7
299.05634	30.5
324.69766	0.5
326.04318	1.8
341.06671	1.1
461.10968	2.9
488.04376	0.5
488.09686	26.1
503.12039	100.0
504.12454	2.5
547.27521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48353	2.5
56.64058	2.1
59.01382	22.0
61.45288	2.2
64.94195	2.1
67.88123	2.2
71.01399	5.6
76.75589	2.5
90.81641	2.5
101.02449	5.8
111.08183	17.5
159.88860	2.6
195.13939	6.2
253.09297	12.6
273.18616	2.8
291.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91387	0.2
51.17334	0.2
57.03471	0.3
59.01381	2.6
60.97149	0.2
64.04600	0.2
64.62135	0.2
69.03445	0.2
71.01381	1.2
71.03112	0.2
73.71609	0.2
79.95740	2.1
81.03467	1.1
83.01424	0.3
85.02931	0.4
87.00882	0.3
89.02460	1.1
93.03503	0.8
95.05048	0.4
96.96006	100.0
97.02966	0.3
99.04507	1.6
105.01910	0.4
109.02943	1.4
113.02451	0.4
117.03463	1.4
121.02948	5.7
123.04516	1.2
123.49278	0.3
125.02451	4.0
133.02928	0.5
133.89452	0.3
135.04582	0.7
137.02423	0.4
144.97510	0.3
151.00362	0.4
156.80666	0.3
161.02431	2.2
163.04024	1.0
165.01831	0.5
167.03525	10.1
175.04134	0.3
177.01884	0.5
178.99818	1.3
179.03462	1.0
196.41019	0.2
197.04523	1.7
210.37360	0.3
213.05608	0.3
235.02531	0.4
241.05099	1.2
243.06694	2.0
269.04547	4.1
287.05551	5.3
311.05643	0.4
329.06671	9.3
359.07919	2.1
367.73364	0.2
389.08920	2.7
449.10880	1.4
453.10275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97148	0.9
57.02583	1.1
59.01389	12.8
62.32104	1.0
71.01386	7.6
73.79173	1.0
85.02963	2.6
89.02460	5.0
90.80909	1.1
93.03491	2.5
97.06602	1.6
101.02442	5.9
101.48223	1.2
113.02442	2.4
113.09763	1.9
119.03493	1.9
121.85480	1.1
126.06895	1.5
133.02939	5.0
134.03658	1.5
135.04521	2.8
137.02414	2.1
161.04579	1.5
162.84193	1.1
165.12807	5.1
181.12360	2.8
191.05678	1.2
198.21082	1.1
211.13326	2.7
221.15462	1.9
236.51147	1.2
240.13478	1.8
247.20615	4.8
253.09322	13.5
268.22061	1.1
273.18640	2.9
291.19693	36.1
309.20761	100.0
320.93515	1.3
331.01895	1.2
334.06879	2.5
486.81470	1.2
545.29828	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	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
59.01387	14.6
59.95090	0.7
60.31711	0.7
65.52689	0.7
69.03496	1.0
71.01390	7.9
72.99329	1.3
73.02951	0.8
85.02965	4.2
87.00902	1.9
89.02454	5.9
93.03461	1.9
97.02937	1.0
97.06567	1.0
100.02541	0.9
101.02446	7.5
109.06560	1.0
113.02470	5.7
113.09737	3.7
119.03507	2.0
119.33614	1.0
123.04494	0.8
124.28541	0.9
131.88524	0.8
133.02930	1.0
133.16696	0.8
141.09236	1.6
161.04584	3.4
165.12817	4.3
167.14377	3.1
181.12340	4.0
183.13942	1.1
191.05635	3.0
195.13902	1.8
197.11768	1.1
200.80463	0.9
209.14909	0.8
211.13365	5.4
221.15427	3.5
223.88942	1.0
232.23868	0.9
238.20882	1.0
247.20627	4.9
253.09305	17.0
273.18567	4.1
281.21234	1.8
291.16562	1.9
291.19678	44.7
309.20740	100.0
545.29669	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	545.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27725	2.0
51.35582	2.3
54.09689	2.1
54.82172	2.1
59.01383	26.5
68.92953	2.4
71.01391	14.5
78.71468	2.8
85.02995	11.0
89.02447	6.4
93.03490	11.6
101.02473	11.1
109.02956	2.7
111.08186	17.5
113.02465	4.2
121.02972	3.5
132.85779	3.0
133.02943	28.7
134.03770	11.0
135.04509	18.0
137.02489	5.4
161.02480	3.7
164.01157	4.6
169.12332	10.3
177.01947	3.3
178.02664	4.3
191.05641	13.8
197.11856	100.0
199.13431	2.7
211.13417	10.5
227.07022	2.8
249.14867	3.9
253.09355	27.0
283.13553	2.8
286.04919	5.2
291.19672	24.3
309.20752	85.5
333.06210	5.0
334.07001	4.3
338.29883	3.0
345.17151	3.8
371.15234	3.3
545.20508	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.8
61.98862	2.6
71.01385	11.5
89.02457	12.7
93.03455	5.2
94.85349	2.6
98.78967	2.6
101.02454	5.9
108.15694	2.8
111.08244	3.0
113.02459	2.9
119.03505	2.7
133.02936	6.3
135.04536	5.4
165.12820	12.7
181.12276	3.6
191.05627	18.9
197.11935	3.1
241.05057	3.0
247.20506	6.7
249.15036	4.3
253.09299	22.9
291.19705	95.5
309.20767	100.0
334.06839	3.4
339.18973	2.9
343.28961	3.4
354.55634	3.1
459.23788	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	545.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19254	0.5
59.01386	7.0
65.00357	0.6
66.28353	0.6
71.01366	0.7
73.02917	1.4
78.95905	1.5
79.95737	0.6
80.32694	0.6
83.01400	0.6
83.05031	1.1
85.02933	0.7
93.03442	7.9
96.96008	50.0
96.96963	2.4
109.02925	1.2
111.04506	1.3
113.02467	0.7
119.05031	7.4
120.05386	0.7
123.04554	1.0
125.02429	2.4
135.04538	0.8
137.02440	3.6
145.02957	0.9
145.06599	1.2
151.00395	1.1
157.86269	0.7
159.04482	3.5
160.05290	6.1
161.02463	0.9
167.03479	1.4
171.04466	0.8
172.05319	24.1
173.06065	5.2
174.06848	1.0
175.03906	1.0
185.06020	3.0
186.06810	2.8
187.04045	7.1
187.07608	1.0
197.06020	1.0
199.03998	3.8
200.04790	2.8
201.05586	2.9
202.06322	3.8
204.04276	7.4
227.03557	10.2
228.04216	4.0
239.14568	1.2
241.05128	1.3
243.03018	0.7
255.13779	1.0
257.15518	2.6
269.00769	0.9
283.13431	100.0
284.13596	0.8
299.16739	0.7
301.14484	27.1
301.17703	1.3
309.15051	5.8
311.12952	6.6
312.73969	0.8
325.14655	1.0
327.12384	19.7
327.16095	5.7
329.14069	1.3
345.13388	19.1
345.17148	14.2
353.13931	3.2
371.10333	0.9
371.15018	21.7
380.58252	0.9
389.06680	0.8
485.12158	4.7
501.17789	18.6
545.20380	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	545.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53194	0.2
59.01389	2.9
59.01613	0.2
61.98832	0.3
65.42392	0.2
71.01400	1.2
73.02946	2.8
75.89220	0.2
83.01403	0.5
85.02947	0.9
87.00909	0.4
88.98797	0.3
96.96019	1.3
101.02448	1.6
103.18858	0.2
109.03000	0.3
111.00900	0.3
113.02484	0.6
116.50703	0.2
117.03439	0.4
130.85133	0.2
131.03505	0.2
132.02205	1.7
133.02957	27.2
134.03702	0.4
135.04523	12.1
137.02438	0.3
149.06079	1.3
161.02452	100.0
162.02771	0.5
175.04028	1.4
177.02000	0.3
177.05614	1.3
179.03505	11.9
191.05605	1.4
192.28012	0.3
203.03511	3.0
221.04587	1.0
339.07477	0.3
341.08743	0.5
353.08801	0.3
383.09863	27.7
497.96252	0.3
519.42975	0.3
545.15247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45298	0.6
59.01384	1.4
65.65130	0.7
69.62553	0.6
72.86369	0.7
81.03448	1.0
96.96027	0.9
99.06200	0.8
108.02193	1.0
109.02966	35.6
113.02464	0.8
115.94112	0.7
121.02912	1.3
122.03728	0.8
123.04519	1.1
135.04532	11.7
155.03516	0.9
159.04527	3.5
161.02414	1.5
173.06097	1.6
173.76445	0.7
197.06056	3.1
197.50372	0.8
199.04111	3.3
199.07722	1.1
201.05588	1.6
211.04018	1.7
212.04916	1.4
213.05659	6.7
224.04906	1.8
225.05658	3.2
227.03607	1.5
229.05043	6.5
235.07657	0.8
240.04370	5.4
241.05075	24.3
242.05801	3.0
243.06673	7.9
249.05663	1.3
251.03616	1.4
253.05095	6.6
254.05853	1.1
255.06628	1.8
264.04446	0.9
265.05087	3.5
267.06610	0.8
276.07889	0.9
278.05759	1.0
279.06522	3.3
281.08115	0.9
287.07022	1.3
289.08722	1.4
290.05896	0.9
291.06671	5.4
292.07376	1.2
293.08121	0.9
305.08243	4.7
307.09723	4.3
315.06680	1.4
319.09836	0.9
329.07950	0.8
331.09982	1.6
333.07620	4.2
345.07632	1.1
357.07813	7.3
361.07318	1.5
362.07962	1.7
363.08701	1.3
375.08850	23.3
383.11597	1.5
401.10254	1.1
466.86310	0.9
485.12482	100.0
486.12732	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	545.1458
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
51.72412	0.8
52.67140	0.7
57.03459	13.3
59.01388	1.5
59.46410	0.7
65.04005	1.0
65.86921	0.9
68.57692	0.8
69.03466	1.8
79.95716	1.1
80.02716	1.2
81.03469	5.1
83.01414	4.5
83.55790	0.9
88.98811	4.7
93.03445	15.3
93.03938	1.0
95.01408	1.6
95.05026	9.4
96.96002	93.5
97.02943	48.3
106.04235	1.0
107.05015	8.4
108.02152	1.7
109.02947	8.7
119.05019	7.9
120.02183	2.0
121.02986	4.2
122.03721	1.0
122.35635	0.9
123.00906	1.0
123.04520	21.9
124.01651	3.6
125.02435	56.5
129.70259	0.9
131.05005	1.7
132.43985	0.9
133.02937	14.9
134.03722	4.0
135.00966	1.1
135.04498	13.0
137.02438	34.3
138.03242	2.2
139.04028	7.5
143.05025	1.2
145.03014	1.3
145.06606	1.4
147.04532	5.6
149.02435	9.9
150.03223	1.6
151.04002	7.5
153.05515	1.1
157.06613	1.9
159.04520	2.2
161.02446	1.4
161.06070	6.9
163.00371	32.8
163.03993	4.2
164.01155	52.9
165.01915	12.9
166.02719	1.9
168.73036	0.9
171.04555	3.7
175.04033	4.9
176.01118	2.2
177.01945	24.6
178.02708	7.2
179.03429	1.1
185.06059	5.9
186.06902	2.0
187.04065	4.3
187.07669	13.4
188.04747	1.1
189.05562	14.5
203.03477	1.4
203.07141	4.4
205.01430	10.5
205.08760	11.5
206.02298	1.0
209.06129	1.0
211.07547	1.2
212.04878	1.5
213.05559	1.2
214.06305	2.0
219.02939	1.0
227.07188	1.9
228.04294	1.9
229.04985	5.0
229.08730	11.2
231.06656	5.6
253.05054	1.6
255.06700	2.2
265.05078	1.9
271.06131	24.7
273.07712	100.0
281.08093	1.4
285.07693	3.5
312.06381	17.1
313.07285	5.6
323.09259	4.2
327.05194	3.8
365.10172	1.1
391.08585	1.9
396.94928	1.0
409.09467	6.5
419.11356	21.9
485.12332	2.2
527.13318	1.3
545.14514	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	545.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
57.81132	0.2
59.01386	1.3
71.01384	0.5
72.51791	0.2
73.02960	0.3
79.95732	2.2
85.02974	0.3
89.02425	0.3
96.96012	100.0
98.11620	0.2
98.34920	0.2
109.02962	0.9
111.84226	0.2
113.02419	0.4
125.02421	1.0
133.02890	0.2
135.04497	0.8
151.00468	0.3
151.04018	0.4
152.04254	0.2
153.01891	0.4
159.22586	0.2
161.02464	0.8
168.59805	0.2
179.03549	0.3
195.02902	0.2
205.05118	0.2
227.03496	1.8
255.02940	1.9
284.03287	2.9
285.03931	0.5
447.09351	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	545.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88192	0.1
51.66388	0.1
58.87568	0.1
59.01383	0.9
71.01395	0.1
78.95923	0.2
79.95734	1.9
85.02943	0.3
87.00862	0.2
88.98783	0.2
90.30709	0.1
96.96007	100.0
100.39141	0.2
101.02434	0.2
109.02927	0.2
111.59029	0.1
113.02435	0.3
120.21978	0.1
121.02888	0.2
121.57108	0.1
129.01907	0.2
133.02951	0.2
134.03734	0.2
135.04529	5.8
138.69148	0.1
161.02443	0.7
162.02658	0.1
179.03470	0.2
265.59018	0.1
327.04935	0.3
332.26031	0.2
339.10751	0.2
447.09277	0.8
478.18372	0.2
538.70093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35332	0.2
59.01384	0.7
79.95731	1.5
85.02953	0.2
89.46812	0.2
92.03042	0.2
96.90200	0.1
96.96005	100.0
109.02956	0.2
119.05013	0.2
129.02003	0.2
133.02950	1.3
135.04541	0.6
147.04439	0.2
149.02498	0.2
150.03333	0.2
153.05656	0.2
163.04033	0.2
175.04007	0.2
225.05592	0.3
229.05077	2.3
253.05090	0.3
255.06654	0.3
281.04736	0.2
284.03195	0.7
285.04001	0.4
297.04059	1.7
298.04755	1.1
299.05652	2.3
327.05151	8.1
357.06125	1.7
447.09406	4.9
454.75620	0.2
485.12329	1.6
543.14600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76748	0.2
58.41259	0.2
59.01388	1.2
69.45119	0.2
71.01399	0.3
75.00867	0.3
85.02977	0.5
87.00898	0.5
88.98817	1.7
89.02440	0.3
96.96004	0.5
99.92583	8.5
101.02420	0.3
109.03004	1.6
113.02448	0.5
115.92130	0.3
116.92860	100.0
117.92883	0.5
125.02466	0.3
129.01936	0.5
132.04578	0.3
133.02956	0.5
135.04510	2.4
152.01170	0.5
153.01947	1.8
159.04552	1.0
161.02452	2.4
169.07628	0.2
174.05588	0.5
176.24799	0.2
179.03432	1.0
183.04453	0.3
192.96030	0.3
195.02994	1.4
202.05081	0.4
203.05374	0.3
204.33440	0.2
214.75494	0.3
220.06151	0.5
221.06467	0.3
255.05066	1.4
279.06647	1.2
281.04538	0.3
300.97461	0.2
380.99109	1.1
383.09650	0.3
391.04623	1.7
404.60468	0.3
427.09030	2.6
437.10672	0.3
465.01312	1.5
471.76013	0.2
508.99939	0.4
527.09381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.01692	3.5
71.01395	44.1
73.02950	72.3
74.63714	2.7
83.01405	21.1
84.55804	3.1
85.02976	3.3
89.02502	3.3
96.43516	2.9
100.40727	2.6
101.02448	48.2
113.02450	11.3
128.18779	2.7
142.67076	3.1
161.04539	6.8
277.21707	58.3
429.35825	3.4
449.68463	3.7
499.29153	40.7
560.86194	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75368	0.5
78.02174	0.5
78.95901	56.4
96.96961	7.5
122.63065	0.6
150.98051	1.4
152.99591	100.0
159.33795	0.5
171.00627	3.3
192.95335	0.5
211.30513	0.6
228.74060	0.5
232.41295	0.6
302.23145	0.6
303.23444	0.9
310.13516	0.6
349.93536	0.6
457.23697	15.0
544.26923	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	543.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87402	2.2
51.04234	2.3
59.01392	84.4
68.96980	2.6
69.03459	29.1
71.01381	6.7
71.69318	2.7
73.02959	3.4
89.02464	15.3
92.95134	2.8
93.03439	3.1
93.07131	4.7
95.05031	18.2
99.00832	3.1
101.02448	14.7
103.24086	3.1
107.08687	5.1
113.02479	2.9
119.03504	4.0
119.05002	21.4
121.10195	3.1
133.02975	3.2
145.02983	3.7
147.11848	11.1
161.02544	3.5
175.91107	2.8
203.14461	17.6
207.10309	3.8
225.11461	5.8
229.12411	19.1
239.12653	3.1
243.12390	3.5
244.77553	2.9
247.11017	5.2
247.13405	100.0
253.09280	36.8
269.04721	19.9
280.49158	3.6
297.04062	6.2
298.04822	11.0
302.68576	2.8
325.03473	4.7
333.27032	3.0
423.10919	14.9
543.15070	15.7
543.27979	4.2
543.35516	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	543.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06519	1.4
53.44830	1.8
57.03453	91.6
59.01382	84.1
60.82716	1.7
71.01392	11.1
73.02973	2.0
78.95905	4.4
85.02952	3.0
89.02452	9.7
94.10058	2.2
96.95998	28.5
96.96963	3.2
99.04514	100.0
101.02441	18.7
112.67826	2.0
121.05079	8.4
125.02442	16.3
129.91328	2.1
132.83948	2.2
143.03500	3.8
163.06161	10.2
178.10086	2.0
191.07141	2.8
197.67439	2.2
262.04794	2.1
265.09299	78.6
287.55063	2.3
291.07159	3.7
309.31537	2.3
314.61240	2.1
359.62393	2.1
460.78412	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	543.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42515	1.4
59.01395	8.8
61.98842	1.8
63.33115	1.3
64.36936	1.3
71.01405	6.4
71.60051	1.4
75.00896	2.1
76.26440	1.3
76.57021	1.7
79.47279	1.3
84.42331	1.6
85.02960	3.1
87.00899	2.3
89.02491	2.0
93.03452	20.1
96.96011	25.2
97.02915	2.0
101.02470	1.9
111.00871	2.1
113.02471	7.4
119.05034	16.8
121.02977	1.7
123.04634	1.6
128.35420	1.4
130.04242	2.6
132.05795	6.8
133.02966	2.8
133.06601	49.5
135.04536	11.5
137.02422	5.9
141.63689	1.6
145.02942	2.2
145.06604	39.1
147.04498	3.3
147.08168	2.2
148.05324	2.4
149.06075	8.0
158.03725	6.6
161.02412	6.9
161.06082	10.8
163.03920	1.8
164.04871	2.6
172.05299	2.5
173.06087	49.9
179.03572	1.6
190.47398	1.5
191.07161	100.0
205.05052	6.1
215.07127	2.8
233.08150	2.8
235.06091	3.2
251.09294	7.1
295.08310	17.8
395.13528	6.5
397.11792	1.5
439.12741	7.4
499.14563	2.5
543.24957	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	543.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80089	0.2
53.57624	0.2
58.40995	0.2
59.01377	1.5
60.99312	1.7
61.98825	0.3
68.99131	0.2
71.01382	0.5
71.88667	0.2
72.09288	0.2
76.56527	0.2
78.95898	0.4
79.95734	1.7
81.03459	0.3
85.02966	1.5
87.00867	0.3
88.98807	6.2
91.00253	0.3
96.00805	0.2
96.96004	100.0
101.02421	0.9
101.73228	0.3
108.52375	0.2
109.02956	1.7
113.02448	0.5
116.92834	1.0
119.05016	0.4
129.01929	2.2
133.02956	4.9
134.03687	0.3
135.04529	5.0
137.02417	0.3
151.00334	0.4
152.01189	0.5
153.01912	1.5
161.02452	12.5
161.06035	0.3
177.05528	0.4
179.03465	3.1
195.03017	1.7
201.86153	0.3
203.03424	0.4
205.05083	1.3
221.04489	0.4
255.05075	3.3
279.02908	0.4
315.07159	0.6
409.11423	0.3
453.10501	5.8
543.09485	0.5
543.24689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.5
60.99323	9.5
70.74796	0.9
71.01389	4.3
79.69163	1.0
81.03486	2.4
85.02978	6.9
87.00858	2.4
88.98814	50.9
88.99345	2.0
89.02465	2.6
96.96030	2.2
99.04571	1.3
101.02462	9.9
109.02948	8.0
111.00886	1.4
113.02424	2.1
116.92884	4.6
129.01953	28.5
133.02968	31.5
134.99615	1.3
135.04524	13.7
139.00327	1.4
151.00349	4.7
152.01132	1.9
153.01891	4.2
161.02452	100.0
164.24867	1.3
177.05586	1.8
179.03497	5.5
195.02989	7.3
203.03537	4.7
255.05087	5.8
279.02917	2.5
280.03519	2.2
293.04428	1.6
303.05161	2.5
339.04974	1.6
341.08902	1.6
357.21347	1.3
361.29510	1.3
366.51837	1.3
397.63345	1.4
437.58411	1.2
453.10489	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36166	0.7
57.97559	0.8
59.01387	48.2
61.98832	1.2
69.16410	0.7
74.23327	0.7
120.04543	100.0
175.00438	4.0
176.00749	1.2
320.14395	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43230	0.6
51.52399	0.5
53.60172	0.6
56.27099	0.6
57.97581	0.6
59.01384	100.0
61.98828	7.9
64.34270	0.7
71.01399	4.3
73.02941	1.6
83.06168	4.1
83.36654	0.6
85.02950	1.7
89.02455	0.7
101.02469	3.2
113.02471	3.1
119.05010	1.1
128.32109	0.7
161.04564	1.2
170.03986	1.6
247.07816	4.2
270.85327	0.8
317.17227	13.3
397.14191	1.3
423.10529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58756	1.9
54.36052	2.0
55.01895	2.3
57.03444	2.3
59.01388	75.4
59.58289	1.8
71.01392	41.4
73.02953	35.7
83.01397	5.2
85.02953	9.1
89.02450	11.9
101.02441	25.2
106.05586	2.2
113.02452	10.2
114.38268	1.9
119.03503	2.6
142.81305	2.2
161.04575	4.4
199.31116	2.3
204.43155	2.0
275.20251	14.6
293.21301	23.2
300.03033	2.7
301.62299	2.7
437.25415	4.1
455.26691	19.0
497.27597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
59.01384	100.0
68.63670	0.6
69.03461	1.5
71.01382	44.4
72.99330	1.3
73.02944	68.5
75.00873	1.4
75.28313	0.6
82.69013	0.6
83.01389	16.7
84.42097	0.6
85.02940	4.9
89.02439	8.6
92.71848	0.7
97.02938	0.8
101.02438	46.5
113.02436	9.4
116.49721	0.7
119.03497	2.9
121.07367	0.7
125.02405	2.5
131.03499	4.4
143.03479	3.5
149.04582	2.9
151.54813	0.8
155.03596	0.9
161.04591	9.8
182.85120	0.6
231.21155	1.7
238.10641	0.8
275.17270	1.5
275.20200	39.7
276.20563	1.0
293.21249	1.0
455.26575	3.5
497.27704	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	10.4
55.39576	1.1
57.03458	5.4
59.01389	55.1
61.85542	1.2
71.01385	75.3
71.01778	2.7
71.05017	6.1
71.62613	1.0
73.02944	28.4
73.03307	1.8
78.33626	1.1
83.01390	12.9
83.08424	1.1
85.02955	44.8
87.00887	1.8
87.93835	1.2
89.02435	15.5
95.01384	9.9
96.96011	6.2
97.02940	4.8
99.00872	7.9
101.02442	50.7
113.02449	32.0
115.04011	55.0
119.03499	6.8
122.48388	1.1
136.12871	1.3
150.67970	1.2
155.70720	1.2
156.05678	1.4
159.02989	5.9
161.04544	25.1
177.82431	1.3
233.10361	15.0
277.09293	100.0
487.50662	1.2
502.56470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	61.9
60.94438	0.6
62.31043	0.6
64.39105	0.5
68.52264	0.6
70.52441	0.6
71.01384	100.0
71.05022	1.3
73.02953	5.3
83.01420	3.9
85.02977	4.1
87.04534	1.6
89.02459	1.5
89.06076	4.7
95.01416	0.9
101.02466	3.3
113.02444	5.9
119.05039	3.2
121.02961	12.6
134.03716	1.1
165.01955	2.7
221.08269	1.6
233.10376	3.9
237.07733	3.5
275.23016	0.8
291.08832	5.5
375.05475	1.3
381.11957	26.9
423.13083	8.1
454.79807	0.8
541.32928	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.9
58.00608	2.4
59.01389	100.0
59.76258	1.1
66.75420	1.2
71.01384	43.3
71.86018	1.2
72.99326	2.5
76.62315	1.1
83.01373	2.4
85.02958	12.2
87.00868	10.5
89.02442	67.0
89.03003	2.4
92.06490	1.3
95.01364	2.7
96.96017	32.8
97.02887	1.3
101.02444	18.2
109.02960	5.4
110.66159	1.4
113.02455	27.1
114.83719	1.3
115.00322	1.3
119.03492	21.9
123.04507	1.6
131.03467	1.8
133.02931	5.4
134.03738	21.8
135.04526	10.3
136.01662	45.7
137.02432	13.4
149.02359	1.5
149.04822	1.2
149.06081	12.1
150.03156	1.6
151.04015	42.0
161.02484	13.6
169.06554	2.1
179.03479	3.3
179.05640	17.1
197.04427	1.5
197.06070	9.0
209.06093	14.4
225.05591	11.9
236.04771	6.5
237.03401	2.5
237.05598	56.0
238.06354	13.9
251.07089	2.7
252.07928	39.9
253.05090	47.5
253.08516	6.2
267.06479	3.3
268.07428	42.2
283.09772	82.6
284.09720	1.8
323.07614	1.9
341.08691	2.7
455.12753	2.0
503.13882	2.5
545.75238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58838	1.2
57.03170	3.0
57.03452	96.2
59.01382	79.1
71.01380	5.2
78.95901	11.6
85.04673	1.3
87.00901	6.8
88.14941	1.2
89.02456	7.6
96.96012	43.5
96.96942	19.2
99.04510	100.0
101.02434	23.4
109.53407	1.4
120.99648	3.2
121.05062	11.1
125.02431	22.2
134.37782	1.3
143.03529	2.5
151.95093	1.3
163.06158	7.6
176.63884	1.4
198.91971	1.5
203.09377	3.2
216.91954	2.0
265.09311	79.9
294.12836	1.6
390.97812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01379	12.5
69.55077	0.9
71.01382	8.7
79.74194	1.0
84.30851	0.9
85.02966	19.7
87.00882	55.8
89.02455	6.0
96.96008	12.1
96.96966	1.1
101.02440	4.0
109.02984	1.6
113.02458	53.7
113.03251	2.0
119.03502	2.5
121.03019	1.2
123.04510	9.3
123.06250	1.2
133.02971	20.5
134.03609	1.2
135.04533	46.9
136.01649	1.7
137.02451	77.2
139.03986	2.0
149.02431	9.2
149.06084	2.3
150.03209	1.7
161.02457	100.0
162.02893	1.5
165.05560	1.2
167.03470	1.3
175.04027	1.3
177.01959	5.1
177.05513	2.0
179.03505	17.9
179.05640	2.2
191.05510	1.1
203.03558	1.4
209.04611	4.4
221.04543	2.5
239.05594	1.2
241.05167	8.3
255.06735	2.3
256.07422	2.0
263.84604	1.1
271.09784	5.1
281.06546	1.5
299.07556	1.9
311.07761	1.7
323.07797	22.0
341.08752	18.3
359.09879	2.5
399.09393	2.1
411.09421	8.9
429.10428	18.8
432.77509	1.3
437.10983	2.4
453.10254	1.7
455.12177	12.8
473.12872	9.2
503.14362	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41651	0.4
55.01893	6.1
57.03466	3.1
58.00613	0.6
59.01389	24.9
71.01385	17.8
72.99303	0.6
73.02946	7.8
75.00896	0.7
78.32379	0.4
83.01393	7.0
85.02958	13.8
86.00095	2.0
87.00886	0.9
89.02448	3.4
93.03460	2.6
95.01390	3.0
95.05039	0.8
96.96021	1.1
99.00896	4.1
101.02438	18.5
108.02189	1.9
111.00877	1.1
113.02448	5.4
116.58184	0.5
118.10192	0.4
119.03522	0.6
121.02939	8.1
122.03738	9.7
123.04527	0.8
132.02187	2.2
133.02951	10.7
134.03737	2.7
135.02942	0.8
135.04524	1.0
135.26096	0.5
147.04541	0.9
149.02446	57.2
149.06049	3.1
150.03226	65.2
151.03651	0.5
158.56941	0.6
161.02441	1.0
161.04546	0.5
164.04788	10.2
165.05571	43.4
166.06372	8.7
167.07153	3.3
175.68695	0.5
180.04260	3.3
181.08727	7.9
195.06595	10.1
270.08896	0.7
283.09692	1.1
287.31207	0.5
314.11636	9.8
315.12457	2.2
329.13983	18.1
343.13959	11.8
407.22137	0.5
491.19281	100.0
492.19830	2.1
539.21423	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	537.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14062	0.9
59.01386	100.0
59.51687	1.0
61.98841	1.6
64.33825	1.0
65.04146	1.3
69.67283	1.0
75.05952	1.2
76.56780	1.1
78.95930	1.8
101.01295	1.0
105.25003	1.3
116.92850	10.2
120.57127	1.3
151.00012	1.1
162.06859	29.3
177.09213	27.9
329.71365	1.2
408.34906	1.3
459.34769	1.5
477.36127	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	537.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08201	0.2
57.03452	0.8
58.79767	0.3
59.01389	100.0
60.58728	0.3
69.97874	0.3
71.01388	1.9
73.02931	0.3
83.01431	0.4
85.02972	0.7
90.02138	0.3
99.00916	0.3
101.02427	1.2
104.54073	0.3
109.02976	0.5
113.02456	0.5
123.04469	0.5
124.12231	0.3
125.02417	1.8
133.02937	0.5
135.04518	0.7
137.02463	0.4
146.77307	0.3
151.04013	0.5
161.02376	1.6
257.08139	0.3
289.07516	0.3
346.09387	0.3
375.26767	1.4
430.92001	0.4
459.30960	0.7
477.32147	8.4
537.33502	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
56.46634	0.4
57.03454	2.1
58.00595	0.5
59.01384	22.0
62.09396	0.5
64.34083	0.5
65.74528	0.4
66.10506	0.4
71.01378	10.9
73.02950	2.5
75.00875	1.1
75.27021	0.5
83.01389	1.9
85.02941	5.4
85.89552	0.5
87.00900	1.0
89.02433	5.8
90.87875	0.5
95.01390	0.7
99.00908	0.7
101.02430	7.0
105.88642	0.5
109.02954	0.8
113.02457	3.1
119.03512	1.0
121.02962	0.7
125.02445	2.0
125.09676	0.6
133.01433	0.8
133.03012	0.5
135.04518	2.1
155.10750	0.8
159.04451	0.7
165.04086	1.0
177.90024	0.6
187.03938	0.8
229.08661	1.1
237.75574	0.6
248.29660	0.6
257.08017	0.6
283.13422	2.0
329.23438	0.9
357.26535	5.2
371.15143	1.0
373.25946	1.1
375.27563	18.7
477.30740	1.1
519.31787	3.4
537.32880	100.0
538.33832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.329
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.84579	0.4
55.01891	0.9
57.03448	2.1
58.00603	0.6
59.01382	25.5
60.47254	0.6
61.85962	0.4
64.14869	0.4
67.30624	0.5
71.01379	11.6
71.73820	0.5
72.99319	0.9
73.02945	2.9
73.82101	0.6
75.00872	2.4
83.01385	1.9
85.02935	6.3
87.00857	0.8
89.02440	5.6
89.14033	0.5
92.64791	0.6
93.03445	0.6
95.01369	1.3
96.96024	0.9
101.02422	5.4
109.02946	1.0
112.96566	0.5
113.02431	4.3
115.00369	0.6
119.03527	0.9
125.02457	2.0
125.09743	1.0
133.02934	0.7
134.03781	0.8
135.04552	1.1
143.10745	0.6
147.02971	0.6
158.00354	0.5
161.02467	1.3
165.03995	1.9
187.04028	0.8
201.11255	0.9
213.05531	0.5
257.08246	0.9
283.13376	1.1
309.14938	1.0
320.99902	0.5
329.23523	1.1
339.25684	0.6
345.17093	0.9
357.26468	5.9
371.14966	1.0
373.25760	0.6
375.23090	1.1
375.27585	21.5
477.31046	0.9
519.31842	2.6
537.32867	100.0
538.33173	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.2
55.11151	1.1
57.03446	9.1
59.01383	66.8
59.15234	1.0
65.62822	1.4
71.01379	78.3
72.99313	2.3
73.02944	24.1
75.00881	5.6
80.89109	1.1
81.03507	1.4
81.74274	1.2
83.01382	14.1
85.02953	37.6
87.00881	5.5
89.02435	23.1
89.02933	1.4
90.53052	1.6
95.01401	7.5
96.96019	1.5
97.02963	3.1
99.00865	11.1
101.02431	55.2
101.40703	1.3
109.02970	5.4
111.00895	2.0
113.02449	30.9
119.03526	7.9
121.02940	2.1
125.02393	9.3
129.01988	2.0
133.03003	2.3
135.04533	2.2
137.02434	1.9
143.03481	4.8
149.02473	1.7
153.01923	2.7
159.02986	7.0
161.02454	1.7
161.04564	26.0
165.04062	2.1
172.05315	2.6
179.05627	4.8
186.03308	1.9
187.04019	1.9
199.04111	1.8
201.09229	1.8
206.17017	1.4
211.07498	1.4
229.08759	8.9
257.08197	7.2
264.13361	1.7
283.10269	3.4
283.13388	5.2
300.35922	1.6
309.15070	2.2
313.26791	1.3
315.18204	14.7
322.36484	1.4
339.16006	2.5
357.17261	2.1
363.34799	1.4
371.15097	2.0
375.27350	5.5
425.75342	1.4
447.93268	1.4
469.22665	1.4
477.23486	100.0
536.31567	1.3
537.19855	7.8
537.32684	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
57.03463	3.2
58.00613	1.1
59.01385	50.0
61.98832	0.9
71.01389	42.3
72.99328	2.3
73.02950	6.1
75.00864	0.8
77.57403	0.6
81.03460	0.7
82.95423	4.8
83.01399	3.7
85.02961	14.4
85.85131	0.5
87.00898	3.0
89.02449	38.2
93.03465	4.2
95.01385	4.4
96.96014	10.9
97.02969	0.8
99.00888	2.5
101.02444	18.3
105.03461	0.6
108.02201	1.3
109.02968	2.1
111.00902	0.9
113.02457	16.7
115.00340	1.0
119.03492	13.6
121.02966	8.8
122.03725	11.2
123.04520	4.6
125.02445	2.3
126.52866	0.5
129.01949	3.5
130.45222	0.5
132.02155	1.0
133.02960	12.0
134.03357	3.1
135.04520	7.2
136.01646	2.5
136.04854	1.3
137.02472	0.9
143.03589	1.0
147.04504	1.0
148.01692	0.7
149.02444	83.7
150.03227	100.0
151.04012	1.1
159.02905	0.7
161.01096	1.2
161.02443	30.2
161.04459	7.7
162.02765	12.5
163.04089	1.2
164.04782	23.0
165.05566	75.7
167.03531	0.6
177.05531	2.2
179.03584	4.7
179.05611	11.4
179.07091	2.0
180.04231	6.4
195.05263	1.0
195.06635	22.7
203.03493	2.8
217.80205	0.6
221.04662	0.6
268.07288	0.7
273.07562	0.5
279.02911	2.7
283.09799	4.3
293.04242	0.6
297.07596	0.7
312.10071	19.5
312.13391	1.1
327.12408	79.1
328.12903	1.0
330.11884	0.9
331.12213	1.3
341.08765	3.4
375.10739	0.8
375.14886	1.0
421.13412	3.5
489.17691	10.4
493.15002	0.6
537.14362	4.5
537.20642	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	537.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67060	0.4
57.03469	0.6
59.01394	4.6
60.99321	19.4
61.98835	1.0
66.97540	0.5
71.01380	2.6
73.02971	0.8
78.52386	0.4
82.02152	0.4
85.02968	2.0
87.00860	0.5
88.98811	100.0
89.02446	2.0
97.06590	0.6
101.02447	2.6
109.02953	0.9
113.02454	2.1
125.02422	0.7
126.31654	0.5
133.02997	0.5
135.04591	0.4
145.02937	0.9
153.01971	0.6
161.02411	1.9
227.03551	7.2
229.18036	0.5
255.02968	7.8
257.08316	0.9
278.16168	0.5
284.03299	7.8
285.04022	2.2
289.20428	0.7
391.23456	1.0
447.09372	10.2
537.33191	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
59.01388	12.8
71.01385	6.1
72.38463	0.4
73.02970	0.9
73.69221	0.4
81.03458	0.9
82.95424	5.6
83.01378	0.9
85.02964	3.1
87.00905	0.7
88.98824	0.5
89.02451	5.6
92.10165	1.0
93.03439	0.6
95.01377	0.9
95.05048	1.1
96.96013	11.6
97.02937	0.8
99.00854	0.7
101.02451	3.6
105.03474	2.4
108.02172	1.1
109.02959	9.5
111.00891	0.6
113.02468	3.9
117.03485	0.7
119.03489	0.9
121.02947	2.7
123.04512	5.1
125.02462	4.8
129.01944	1.7
132.02185	12.0
133.02960	45.6
134.03793	6.1
135.04529	25.5
136.01662	1.9
137.02461	5.9
138.03171	0.5
139.04030	1.8
145.02954	1.8
146.03725	4.7
147.04526	1.0
149.02443	2.9
149.06094	2.3
150.03247	2.7
151.00372	0.7
151.03975	5.2
152.01208	0.7
159.04535	2.1
160.01669	24.7
161.02452	100.0
161.06035	3.4
162.03027	0.8
163.04007	0.8
164.04797	2.1
165.01924	0.6
165.05585	3.5
166.02695	0.5
167.03537	1.0
175.04022	2.8
175.46219	0.5
176.04803	0.7
177.01942	11.5
177.05533	1.8
178.02724	4.9
179.03513	25.3
179.07008	4.0
187.03957	2.4
188.04813	1.7
189.05559	1.7
190.06561	0.5
191.07146	0.4
195.05009	0.5
202.06363	0.7
203.03473	2.6
203.05266	0.5
203.07146	2.9
205.05115	1.8
211.04007	0.5
213.05565	0.5
215.03520	1.1
221.04614	2.3
225.05537	0.5
227.07095	0.7
233.04652	1.8
245.08238	2.1
267.06689	1.8
279.02921	0.9
279.06680	0.7
289.07199	12.3
293.04688	0.6
293.08105	0.5
294.09042	1.0
294.36591	0.4
295.06094	1.1
297.11288	1.0
309.07791	1.0
312.10104	2.0
324.09909	0.6
327.08713	2.1
327.12454	9.8
339.05005	0.6
339.08655	3.9
339.12500	3.8
340.08109	12.2
341.08762	18.5
357.09839	3.7
366.45816	0.5
375.10788	2.1
375.14853	0.6
395.10022	1.1
398.91010	0.5
428.21906	0.5
479.64874	0.5
489.14178	1.1
493.13440	1.9
493.22983	0.7
519.15430	1.0
537.20148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04169	0.4
53.58290	0.4
58.04849	0.4
59.01399	0.7
60.49307	0.4
60.99311	8.9
71.01385	0.6
88.98803	43.5
94.23814	0.4
96.96005	0.8
97.02950	0.7
107.01384	0.6
109.02946	2.5
119.04988	1.5
121.02974	2.7
125.02451	2.0
126.02708	0.5
127.73451	0.4
133.02948	15.7
135.04523	5.9
143.35542	0.5
147.04530	1.2
149.02438	3.1
150.03192	0.5
151.00365	0.7
151.03969	0.5
161.02420	1.7
163.00410	2.7
163.03951	3.4
165.01912	2.5
167.03447	0.5
175.03995	4.3
177.01961	0.7
179.03523	2.5
191.03490	1.2
191.64095	0.5
193.01414	3.6
193.28122	0.5
199.04097	1.1
201.02011	2.2
211.04044	0.9
213.05563	0.9
225.05499	0.7
226.02750	0.6
240.04317	0.9
241.05089	1.1
243.06749	0.6
253.04927	0.7
255.02910	1.1
255.06606	1.0
269.04547	1.1
281.04544	0.7
284.03299	10.5
285.04050	8.6
292.43439	0.6
297.04083	19.0
298.04849	11.7
299.05643	21.3
299.08978	0.8
309.04193	1.1
311.05725	2.4
327.05154	100.0
328.05609	1.1
339.05371	3.6
341.06494	0.7
357.06171	20.9
369.06372	1.9
447.09396	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42443	0.5
56.64627	0.4
58.33992	0.5
59.01382	12.9
60.62799	0.4
60.99306	6.1
61.98824	4.6
71.01385	5.1
77.40462	0.6
80.42164	0.6
82.95424	2.9
85.02976	1.0
85.03498	0.6
88.98798	30.7
89.02434	4.4
95.01389	0.6
96.12400	0.6
96.95986	8.5
96.96969	0.6
97.02968	1.0
101.02467	1.5
105.86576	0.8
107.01319	0.6
109.02961	4.0
113.02431	2.2
119.03461	1.4
121.02961	3.6
122.03728	3.6
125.02476	1.0
133.02950	18.5
135.04521	4.0
137.02412	1.0
146.03688	0.6
147.04538	0.9
149.02437	9.3
150.03226	24.6
151.00369	1.3
159.80428	0.6
161.02443	10.7
163.00363	4.8
163.04002	3.3
164.04826	1.3
165.01917	2.3
165.05559	22.3
165.15034	0.6
175.04005	5.7
177.01888	1.0
179.03465	0.9
179.05688	1.1
180.04218	0.9
191.03529	1.0
193.01373	1.1
195.06657	8.3
199.03989	2.4
201.01950	1.4
203.03525	0.9
204.64880	0.6
210.51974	0.7
211.04048	1.2
213.05502	0.8
225.05644	1.2
241.05103	1.1
243.02849	0.7
253.04976	1.3
255.02994	2.4
260.12643	0.5
269.04510	3.5
270.05283	0.8
283.97391	0.6
284.03284	10.0
285.04083	21.2
297.04053	35.0
298.04843	27.3
299.05627	15.6
311.05664	9.8
324.02899	1.4
325.03580	1.1
327.05145	80.2
327.12430	4.3
339.05164	11.4
343.09335	0.7
357.06201	57.7
369.06256	1.1
411.06949	0.9
429.08395	8.6
447.09387	100.0
448.09750	0.7
518.22925	0.7
537.19745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37732	0.2
51.69875	0.1
51.93544	0.1
56.04211	0.1
57.03466	0.2
58.82830	0.1
59.01381	0.3
64.62786	0.1
65.82288	0.1
71.01390	0.3
72.99332	0.2
75.00876	3.2
78.95909	39.4
84.84084	0.2
87.00869	0.8
89.02477	0.3
96.96963	100.0
99.00886	1.4
110.29575	0.2
111.00915	0.2
114.38153	0.2
129.01936	1.6
135.04527	0.9
158.92578	1.7
159.03001	0.9
176.93604	7.7
179.03419	0.2
189.24409	0.2
194.94667	5.8
194.96367	0.2
195.05122	9.0
201.67505	0.2
245.04402	0.2
261.00760	0.2
337.16687	0.2
357.08435	0.2
414.10211	0.2
439.08633	9.7
439.14603	0.3
495.46484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00422	1.7
50.80661	1.8
51.51840	1.7
57.60430	1.9
58.39719	1.5
59.01396	4.2
60.63572	1.7
78.95928	1.9
79.46484	1.8
79.62200	1.8
79.99197	1.7
80.02673	2.8
80.32148	1.8
81.03483	2.9
83.05045	9.1
83.98103	1.9
92.10825	3.8
94.93410	2.0
97.02986	2.0
123.08152	2.1
125.09727	2.7
126.48414	1.9
135.08125	3.4
137.09641	2.1
153.08060	1.9
153.09227	12.4
163.11253	12.5
165.12822	4.2
171.10268	12.1
176.86632	2.1
181.12341	2.3
185.11787	8.3
191.14432	3.7
209.11862	100.0
225.11385	3.6
227.12955	10.3
245.19164	19.1
289.18146	55.1
307.19214	54.8
325.20187	17.5
499.30688	4.0
517.31567	2.6
524.99829	2.2
535.32831	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	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03459	0.9
58.00605	0.6
58.45789	0.5
59.01383	32.6
61.70458	0.6
69.03442	0.5
71.01378	15.2
72.99315	1.0
73.02939	5.7
78.95888	0.6
81.03478	0.6
83.01388	3.1
85.02956	7.6
87.00861	4.6
89.02460	3.5
95.01384	0.9
95.05023	0.6
96.95999	0.9
97.02924	0.9
99.00902	0.6
101.02430	9.5
105.03459	2.7
111.00845	0.9
113.02464	4.2
119.03455	0.9
122.51700	0.6
124.01685	1.1
125.02449	3.4
125.53734	0.6
132.02164	3.0
133.02953	19.6
134.03752	3.4
135.04507	3.6
137.02428	1.1
160.01651	4.0
161.02420	5.1
163.03874	0.6
177.01936	4.1
177.05592	0.7
178.02719	1.3
179.03477	1.5
187.62563	0.7
269.21320	5.3
285.20776	0.9
287.22293	50.6
313.23755	1.1
328.25653	0.7
329.22900	0.8
330.02097	0.7
340.08002	1.4
373.25443	1.3
431.26544	16.7
438.11768	7.4
449.27637	43.3
449.33875	1.4
450.28198	0.7
491.28699	100.0
492.28754	2.6
535.31348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88465	0.3
54.82278	0.4
57.03452	10.8
59.01160	0.4
59.01393	4.8
63.02388	3.3
65.00326	5.2
68.47792	0.4
68.99839	0.5
69.15701	0.5
71.01390	2.3
73.02938	0.8
78.91895	0.5
81.03462	3.1
81.99546	0.5
83.01376	8.0
85.02939	2.0
89.02461	2.0
93.03445	3.9
95.01402	4.2
101.02451	1.1
107.01383	6.2
108.02191	0.9
109.02966	5.6
111.00863	1.1
113.02458	1.0
117.03473	6.4
118.03808	0.8
119.05028	6.0
120.05367	0.9
121.02976	2.1
123.00887	1.0
123.04498	2.8
124.01658	7.9
125.02440	97.1
131.05005	0.9
133.02946	3.9
134.03714	2.1
135.04547	2.3
137.02477	2.8
139.00320	0.8
143.05029	0.6
145.02956	16.1
145.06468	0.5
146.03285	5.0
147.04518	1.2
149.06091	1.1
150.03214	0.7
151.00359	15.8
152.01146	17.6
153.01974	4.0
156.05803	2.1
157.06569	3.3
158.03711	1.0
159.04503	4.1
161.02464	1.0
163.04034	2.7
164.04434	0.7
165.01913	9.4
171.04494	0.7
172.05261	3.6
173.06107	7.4
175.03998	1.8
175.07687	0.7
177.05563	10.8
178.99896	6.9
180.00633	0.6
181.01515	0.5
187.07666	1.8
193.05104	1.0
197.06062	1.0
199.07675	3.6
200.04756	1.1
201.05605	13.0
203.03464	2.0
213.05638	1.9
213.09300	0.5
214.06351	0.7
215.07124	9.1
219.06548	1.1
225.05559	1.0
240.04221	2.3
241.05205	4.0
243.06616	15.7
259.06122	90.3
260.06516	1.8
269.04535	5.4
269.13828	0.6
287.05637	33.8
329.14087	1.1
344.13416	2.8
345.13654	1.0
389.13025	0.7
449.10895	1.9
473.10849	0.7
483.59268	0.5
491.12012	100.0
492.12115	1.1
534.16162	1.2
535.16803	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08083	0.6
57.03457	8.5
59.01377	0.9
61.98837	2.5
63.02388	0.8
65.00337	3.7
71.01379	0.8
71.05042	0.6
73.02969	0.7
76.11757	0.6
81.03450	19.6
82.65804	0.6
83.01376	9.3
93.03443	5.8
95.05027	7.4
97.02940	5.0
97.37589	0.7
99.04507	19.2
107.01402	6.3
109.02945	3.0
111.04524	1.2
117.03462	13.9
118.58569	0.7
121.02929	0.8
123.04526	10.3
124.01639	1.5
125.02440	84.1
133.02979	1.2
135.04520	4.2
137.02460	7.2
139.03989	6.1
149.02470	3.7
151.00380	17.8
151.03996	0.9
152.01134	4.5
153.01979	5.3
156.05798	0.8
157.06595	1.4
158.03714	0.8
159.04498	1.5
161.02466	4.3
163.03978	1.0
165.01923	1.5
167.03497	100.0
172.05275	3.4
173.06079	10.1
175.00354	2.8
175.04021	1.3
175.07571	0.9
177.01926	0.9
177.05553	7.4
178.99840	8.9
179.03484	3.5
181.01448	0.8
187.07750	1.0
193.01424	3.8
197.04559	15.1
199.07637	1.3
201.05618	4.1
209.04597	1.1
215.07175	8.9
235.02565	4.7
235.04526	0.7
241.05046	1.3
243.06647	5.0
259.06143	64.6
273.07596	1.2
283.06207	7.7
287.05637	45.2
301.07178	5.4
329.06528	18.5
329.13406	1.2
359.07736	3.3
373.12900	4.4
463.12543	9.4
491.12009	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	535.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38417	0.3
54.82272	0.3
55.01894	0.3
57.03456	4.5
59.01389	3.5
61.98830	7.1
62.61208	0.4
62.93120	0.4
63.02407	0.3
64.19146	0.4
65.00320	4.9
65.41589	0.4
67.01918	0.5
68.99811	0.5
69.03484	0.5
71.01404	1.7
71.05023	1.7
73.02940	0.7
79.95749	0.5
80.90323	0.4
81.03455	17.6
83.01386	5.8
84.28799	0.3
85.02957	0.8
92.24614	0.4
93.03464	2.0
95.01395	0.7
95.05025	9.1
96.96007	43.7
97.02945	5.1
99.00806	0.4
99.04515	19.4
101.02459	0.9
105.03498	0.6
107.01377	7.3
107.05089	0.5
109.02953	3.0
111.04539	2.6
113.02471	0.7
117.03466	16.1
121.02937	1.5
123.00883	0.6
123.04520	9.0
125.02441	45.2
131.16464	0.3
133.02974	3.3
134.06099	2.7
135.04526	38.0
136.01700	0.5
137.02432	8.1
139.04021	5.2
141.35951	0.4
148.01656	0.7
149.02457	3.8
151.00378	27.4
151.03917	2.6
153.01926	0.6
159.04529	0.9
161.02461	10.3
162.02798	2.2
163.00345	0.4
163.04036	0.8
164.01172	0.7
165.01920	5.3
167.03499	100.0
168.03929	0.5
169.01392	1.6
177.01813	1.2
177.05476	0.9
178.05028	0.5
179.03545	4.6
179.05052	0.5
191.03529	0.5
192.06667	0.4
193.01447	7.8
197.04575	18.2
203.03571	0.8
205.01329	0.6
209.04617	1.7
221.04597	0.9
223.02481	0.9
235.02499	5.3
251.05684	0.9
259.06064	0.6
265.03598	0.7
269.04547	0.5
269.08231	0.5
287.05624	15.1
311.07919	0.5
313.10855	0.9
329.06583	26.1
340.10361	0.7
341.09088	0.8
342.09137	1.6
355.06827	0.9
359.07779	5.9
437.10431	0.6
449.11154	0.7
491.12045	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	535.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.9
63.02410	1.6
65.00334	9.2
65.00682	0.3
71.01381	0.4
73.02943	0.6
83.01391	5.7
85.02966	0.5
92.10155	0.3
93.03406	0.4
101.02453	0.3
107.01392	22.4
108.02160	0.3
108.99260	0.3
109.02944	3.3
111.00883	0.4
119.05014	1.0
125.02447	5.3
133.02908	0.3
134.03745	0.4
135.04523	78.8
136.04808	0.5
137.02403	0.3
138.25035	0.2
151.00375	100.0
152.00935	0.3
153.01973	2.0
161.02481	0.6
163.75148	0.2
165.01923	0.4
169.01468	2.2
172.05310	0.4
177.01939	0.6
187.07643	2.4
189.05466	0.3
201.05704	0.2
257.08188	1.5
264.95535	0.3
268.13431	0.4
269.04532	0.5
271.06116	1.4
287.05630	57.8
288.05930	0.4
350.55069	0.3
373.25998	1.0
399.13120	2.0
491.11972	11.1
535.14569	2.2
535.31378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01388	0.4
63.02411	1.1
65.00330	11.7
81.03458	0.2
83.01393	6.0
93.03467	0.5
97.02964	0.4
103.01913	0.4
107.01402	23.7
107.05054	0.3
108.02198	0.4
108.99346	0.3
109.02968	3.7
110.00087	0.3
121.02966	0.9
125.02442	4.2
125.76186	0.2
131.01366	1.9
133.02948	0.9
134.03751	1.7
135.04533	95.9
136.04836	0.4
137.02438	0.9
149.02446	0.5
151.00386	100.0
152.00749	1.1
153.02028	0.6
159.04594	0.3
161.02435	2.1
164.01170	0.3
165.01924	1.4
169.01425	1.1
171.51041	0.2
175.00380	6.7
177.01868	0.8
193.01430	1.4
203.03763	0.2
225.05612	0.4
253.82677	0.2
266.73853	0.2
269.04538	0.4
269.08154	0.4
278.04764	0.3
281.07889	0.2
284.03210	0.5
285.03931	1.2
286.04263	1.3
287.05652	66.8
288.05893	1.2
311.05667	0.5
328.09525	0.5
329.06863	0.2
340.09601	0.3
343.12085	1.8
355.06665	1.0
355.11414	0.5
373.12939	0.4
452.16391	0.2
491.11804	5.0
492.64301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.9
59.01387	9.1
60.29047	0.9
61.98846	6.6
71.00214	1.0
71.01394	5.1
73.02950	0.9
75.00888	0.9
83.01398	8.9
85.02956	1.7
87.00887	7.2
89.02486	1.1
91.10930	1.0
92.47949	1.0
95.56814	1.0
96.96028	7.0
99.00338	1.0
99.00863	8.6
109.02959	11.9
111.00892	9.6
113.02477	7.3
115.00361	12.3
116.92857	1.4
119.05035	2.3
121.02963	8.0
121.06599	2.4
125.02438	1.7
127.00401	1.1
129.01973	1.3
133.02983	10.3
135.04530	26.9
139.00360	14.6
145.02966	2.0
147.04520	5.5
148.05328	6.9
149.06090	100.0
150.03192	1.4
151.00424	2.1
153.01912	1.1
155.03264	1.1
157.01463	7.8
159.04506	4.5
160.01686	1.9
161.02451	59.8
161.06097	2.4
163.04045	10.0
165.01924	5.5
165.05579	2.5
174.03246	1.2
175.02484	9.9
175.04016	17.9
177.01924	7.3
177.05511	1.8
179.03511	15.9
184.11873	1.1
185.06163	1.2
187.04037	2.0
188.04854	2.0
189.05652	6.8
191.03474	4.7
191.05621	1.4
192.04149	1.2
193.05028	12.0
201.05586	1.6
203.06950	1.0
205.04929	3.5
206.02260	2.2
219.03012	30.9
219.06580	1.4
221.04451	1.4
231.06612	6.1
233.04587	16.6
237.04088	37.5
243.06812	1.2
247.06407	1.5
263.05676	1.2
275.05667	4.1
277.03537	6.3
293.06784	4.6
319.04630	7.2
323.07748	14.3
337.05719	60.7
341.08813	4.2
381.08160	2.4
399.09402	2.4
437.10861	2.2
439.08896	16.0
455.12015	2.0
481.09888	46.6
499.11002	13.5
535.08533	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	535.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18920	1.0
56.36399	0.8
59.01394	4.2
64.34251	1.0
72.99330	1.0
78.95910	2.2
83.01381	2.0
92.10133	1.2
96.96026	6.2
99.00905	6.7
109.02966	9.5
113.90614	1.1
114.91006	1.0
115.00393	2.3
121.02975	1.2
121.06543	1.1
129.01936	1.4
135.04553	2.3
137.80685	1.0
145.02983	2.4
147.04530	4.4
148.05371	2.4
149.06090	100.0
159.04483	1.1
161.02411	10.7
161.06137	1.7
163.04019	6.5
165.01892	1.2
165.05560	5.3
175.04012	21.4
177.01903	8.9
178.17992	1.2
189.05579	1.4
191.03545	2.1
193.05052	19.1
205.05147	2.5
206.02203	1.9
219.03014	35.2
231.06743	2.0
233.04625	12.7
237.04051	47.8
255.05075	2.1
259.02466	1.8
275.05411	1.3
277.03519	5.4
293.06750	5.1
319.04611	2.1
337.05692	45.7
353.04755	1.1
381.08420	2.5
399.09360	2.7
439.08792	2.4
481.09830	9.3
499.10974	42.0
535.08740	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	534.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.4
57.03453	1.2
59.01391	15.3
61.98843	1.7
64.89935	0.7
69.70937	0.6
71.01385	7.0
73.02949	2.9
78.26485	0.7
78.31725	0.7
83.01367	1.1
85.02966	6.6
88.18474	0.7
88.24966	0.8
89.02453	6.7
91.27682	0.7
95.01438	0.7
99.00885	1.0
101.02438	9.5
102.69936	0.9
109.02995	0.8
113.02453	4.9
114.38494	0.7
119.03536	1.4
125.02419	0.9
132.02135	1.0
133.02956	36.4
134.03740	1.8
135.04512	28.5
135.05487	1.2
148.05251	1.0
149.06056	3.2
154.17993	0.7
161.02446	100.0
167.03607	0.9
175.03970	1.4
177.05583	1.0
179.03513	12.9
203.03519	3.4
221.04520	1.1
242.13480	0.9
251.15129	0.7
258.27353	0.9
317.10339	0.8
341.09006	0.9
371.24142	1.3
372.16693	25.8
372.24387	1.6
518.64703	0.9
533.29614	3.7
534.19897	55.0
534.29999	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	534.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36074	0.4
59.01104	0.9
59.01380	13.1
60.01710	0.7
61.01822	0.8
61.98832	100.0
68.60348	0.4
71.01387	3.0
73.02950	0.8
74.59105	0.5
75.18359	0.4
79.82290	0.4
85.02982	0.8
85.21851	0.4
89.06101	0.5
89.49429	0.5
101.02428	0.9
109.02923	0.7
109.26772	0.4
113.02441	1.7
153.01956	0.7
161.02422	0.7
180.70541	0.5
187.07649	0.9
228.03922	1.0
251.11139	0.6
255.03040	2.4
256.03378	3.7
268.13522	0.7
270.08914	0.6
284.03256	2.3
285.03796	5.4
286.04376	4.2
374.00644	0.5
383.12524	1.0
384.12830	0.9
474.18604	0.7
490.10699	2.9
490.21301	0.5
492.19492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
58.00593	0.4
58.68847	0.4
59.01383	11.2
59.01654	0.6
60.20670	0.3
61.98840	0.8
65.00346	0.4
71.01385	6.4
73.02956	1.6
79.66801	0.3
80.05075	0.8
83.01394	0.8
83.18371	0.4
85.02957	5.2
85.92809	0.3
85.99609	0.4
87.00900	0.5
89.02431	6.0
89.02936	0.4
93.03468	0.8
95.01391	0.8
96.04540	3.3
97.02953	0.5
101.02438	4.3
107.01402	0.7
109.02962	4.2
111.00873	0.6
113.02449	5.5
117.03470	31.8
119.03526	3.0
119.05019	28.2
119.05909	0.7
123.04525	0.4
125.02441	6.7
131.04994	0.6
132.05821	0.4
133.02977	2.3
133.06613	0.7
134.03781	0.4
135.04543	0.9
136.87735	0.3
140.46909	0.5
145.02966	100.0
145.76784	0.4
146.03323	0.7
151.00397	0.8
152.01149	1.5
153.01956	5.1
154.02251	0.5
159.04544	0.7
160.59032	0.4
161.02438	2.5
161.06068	2.2
162.02905	0.5
163.04008	18.3
165.01999	0.5
173.06018	0.9
177.05531	3.0
182.08263	0.9
185.47212	0.4
187.04012	2.4
195.03036	2.6
201.05598	0.9
205.05139	1.0
241.05135	0.6
243.06677	0.9
255.04938	0.6
259.06107	4.8
285.04019	1.7
286.04410	2.0
287.05710	2.8
293.03989	0.4
315.07172	0.5
325.09277	0.9
326.12421	1.6
344.13589	15.6
388.12518	5.6
490.10736	1.9
490.17365	2.1
491.11957	6.3
508.73254	0.4
510.09308	0.5
516.15240	0.7
534.16260	46.1
535.16882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50364	0.3
51.46452	0.3
56.34992	0.3
57.58180	0.3
58.00602	0.3
58.13898	0.4
59.01384	9.6
61.98809	0.3
65.31178	0.4
68.20953	0.4
71.01379	5.8
73.02962	0.8
78.78024	0.4
80.05057	1.0
83.01390	0.7
85.02962	3.1
85.41368	0.4
89.02433	5.9
96.04559	3.4
101.02415	3.8
109.02988	1.8
113.02453	5.0
117.03461	29.3
119.03521	3.0
119.05021	26.8
133.06589	0.6
135.04523	0.9
138.05672	0.5
145.02963	100.0
146.03331	0.5
153.01929	2.1
159.04523	0.9
161.02429	1.7
161.04781	0.5
161.06039	2.9
163.02701	0.8
163.04008	16.7
177.05542	0.9
182.08296	1.6
187.04019	3.9
195.02922	1.5
205.05145	1.4
255.05287	0.5
267.40079	0.4
285.17319	0.5
325.09402	0.9
326.12439	2.1
344.13559	12.4
355.17227	0.5
388.12601	6.4
490.16989	2.8
522.96545	0.4
534.16223	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20759	0.5
59.01384	9.0
61.98834	27.2
71.01388	2.5
79.28095	0.5
81.94940	0.7
89.02425	3.9
89.73283	0.5
92.10761	0.9
94.29458	0.5
97.01004	0.5
99.55193	0.5
101.02448	1.3
109.02946	0.9
113.02463	2.8
119.03488	0.9
132.02145	0.6
133.02956	34.4
134.03705	0.5
135.04520	23.1
146.82536	0.5
149.06024	0.9
161.02460	100.0
175.04019	2.6
177.05563	3.9
177.14734	0.6
178.02562	0.6
179.03511	20.4
203.03542	11.9
207.12814	0.5
221.04620	3.0
233.04597	0.6
281.06665	4.2
341.08844	39.2
439.12521	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3126
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
54.82770	1.8
55.40047	1.6
59.01381	4.0
69.03454	19.4
71.05030	2.7
79.45778	1.9
80.94668	1.7
89.90002	1.7
97.06570	2.5
123.08130	8.2
125.09712	11.1
137.09683	2.1
149.09654	4.2
151.11313	21.6
152.99539	2.7
153.12808	7.6
161.09721	29.3
168.47374	2.1
179.10793	53.2
181.12306	2.4
197.11852	100.0
223.16959	1.9
241.10861	64.7
247.20674	4.0
291.19742	22.4
309.20749	46.9
471.31247	3.6
515.30231	2.5
533.31250	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82393	0.5
57.67678	0.5
59.01376	9.4
59.63157	0.5
61.98834	2.4
67.57903	0.5
70.45586	0.5
71.01368	1.2
72.99302	1.4
73.02943	0.7
73.52200	0.6
84.53343	0.6
85.02975	0.8
87.00883	0.7
92.10755	1.2
96.95988	0.9
107.01429	0.5
109.02955	5.1
113.02463	2.5
116.05029	5.0
117.03477	1.1
119.05018	0.8
122.26147	0.7
123.04492	0.7
126.02679	0.5
128.05060	1.1
130.06602	1.3
132.04482	0.6
133.02934	2.9
134.03725	0.8
135.04543	6.3
142.06625	100.0
145.02959	3.3
149.02390	0.6
151.00366	3.9
153.01920	3.9
158.06111	11.6
161.02449	5.5
175.03970	0.8
177.01958	0.6
179.03580	0.9
186.05600	33.3
195.02910	3.0
204.06671	53.7
205.07022	0.9
241.04901	0.6
243.06444	1.8
246.07729	25.4
249.46558	0.7
255.05093	1.3
259.50217	0.6
267.02972	0.9
269.04797	1.0
285.03809	0.7
286.04782	1.1
287.05597	1.2
300.84241	0.7
436.66312	0.7
490.10538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83688	0.4
57.03445	0.6
58.00585	0.6
58.01120	0.3
59.01143	0.4
59.01384	5.7
60.02197	0.3
65.49774	0.3
71.01369	2.4
71.05016	0.4
73.02950	0.4
78.95826	0.4
79.05510	0.6
79.18133	0.4
83.01321	0.3
85.02943	2.7
87.00891	0.4
89.02419	0.6
92.08344	0.4
95.04996	0.5
96.95949	0.5
97.06599	1.6
101.02429	2.2
105.03433	0.5
109.02974	4.7
111.00829	0.5
113.02463	2.2
115.57841	0.4
118.15814	0.5
132.02116	0.7
133.02953	21.5
133.62143	0.5
134.03697	2.0
135.04514	8.1
153.01968	6.7
161.02455	53.3
162.02681	0.5
168.33997	0.5
179.03490	3.1
181.15938	0.7
201.11243	0.6
211.16975	0.7
227.16539	1.0
247.56047	0.4
249.14906	0.5
255.16002	0.7
279.23306	2.5
285.20673	0.5
291.23370	2.9
291.33389	0.4
293.21216	2.2
295.22876	5.1
307.22913	2.4
309.24365	5.1
320.55957	0.4
323.22336	2.4
325.23917	0.7
327.25580	3.8
335.22394	3.7
341.23300	4.8
353.12570	0.6
353.23373	12.4
371.14301	4.9
371.24454	100.0
372.24673	0.8
385.26053	2.7
397.15143	4.4
413.25497	3.7
533.16833	32.3
533.29401	16.9
534.17505	2.3
547.75214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82399	1.0
55.04054	1.1
57.03460	1.2
59.01386	42.1
63.36801	1.1
64.18047	1.2
71.01379	18.6
72.99296	1.8
73.02960	6.3
83.01408	3.3
83.50024	1.2
85.02935	10.4
87.00885	3.4
89.02456	2.7
92.10120	2.9
95.01393	1.5
101.02447	5.4
105.03473	1.7
109.02973	1.7
111.00890	2.0
113.02464	11.3
119.05025	1.5
123.04495	4.9
132.02147	1.5
133.02950	22.0
133.12357	1.3
135.04547	2.8
137.02434	1.8
141.11911	1.5
141.22797	1.5
147.04539	3.3
149.02411	1.7
161.02510	9.9
177.01968	2.6
178.02731	2.5
179.03401	2.1
285.20740	45.5
311.22324	6.7
321.09305	1.4
371.24478	6.1
429.24805	16.2
436.10257	3.3
447.16385	1.6
447.26089	43.4
473.26990	2.5
489.27136	100.0
533.30182	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	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04738	0.1
55.01886	0.1
56.91317	0.1
57.03452	1.2
57.03665	0.1
59.01378	2.4
67.01907	0.6
69.03497	0.1
71.01381	2.6
73.02958	0.6
81.03444	0.1
83.01410	0.7
83.05042	0.5
85.02959	11.4
87.00882	7.5
89.02454	0.8
92.92787	0.2
93.03456	3.7
98.34169	0.1
99.00887	0.6
99.04520	0.6
101.02438	2.2
109.02943	1.0
111.00910	0.2
111.04510	1.4
113.02448	0.2
119.03486	0.2
121.00229	0.1
127.04006	2.5
129.01944	1.2
137.02464	0.1
147.02994	0.8
155.03522	0.2
166.12071	0.1
171.03008	0.8
173.04587	1.2
191.02126	2.4
191.05624	100.0
192.05972	0.4
194.08929	0.1
239.94931	0.1
375.09039	0.1
432.67380	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	533.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37987	0.8
59.01388	20.9
59.19066	1.0
61.98841	0.9
64.09380	0.9
67.15474	0.7
68.99827	1.6
69.03479	1.0
71.01398	8.6
71.01743	0.8
73.02962	3.9
75.05141	0.8
83.01415	1.6
84.45085	1.2
85.02968	5.2
89.02457	4.4
94.54667	1.0
101.02470	5.5
107.01324	0.9
109.02927	1.8
113.02467	6.6
114.39081	0.9
119.03469	1.3
119.05012	1.3
130.18613	1.1
133.02963	1.5
135.04550	2.0
153.01941	1.5
155.36664	1.1
159.04506	5.9
161.02475	3.7
172.05336	12.9
173.06075	4.7
174.06831	1.3
175.04012	4.5
183.04507	1.8
185.05981	1.4
186.06850	2.1
187.04124	3.6
187.07666	100.0
189.01956	2.2
189.05609	23.4
199.03978	4.9
200.04776	5.2
201.05627	2.1
202.06429	1.9
204.04309	2.2
211.07712	1.4
213.09303	8.1
215.07164	19.3
217.35655	1.2
227.03471	8.7
228.04362	3.8
229.08669	6.6
230.05902	2.2
231.06653	32.7
231.10150	9.0
245.04607	4.0
255.02892	4.5
257.08231	30.0
273.07724	44.1
275.09460	9.3
284.03214	4.7
285.04166	7.6
303.08832	5.0
317.10202	4.1
333.09860	35.8
347.11234	1.4
371.24307	1.7
375.10828	1.7
377.12448	27.4
393.11862	14.0
402.95239	1.1
437.14627	7.6
473.27512	1.5
489.14801	12.0
525.45477	1.2
533.17059	1.4
533.30054	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	533.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
59.01383	3.5
71.01377	2.0
73.02953	1.1
79.05515	0.3
80.70918	0.2
81.03453	0.4
83.01384	0.8
85.02952	1.5
87.00883	0.4
89.02456	0.5
91.01918	0.4
95.01379	0.9
96.96045	0.3
97.06598	0.5
101.02433	1.9
105.03494	0.5
107.01388	0.3
109.02219	0.4
109.02950	10.3
109.03682	0.4
111.00900	0.5
111.82406	0.2
111.85703	0.2
112.01644	0.2
113.02476	1.3
117.03441	1.0
119.05087	0.3
123.00903	0.3
123.04523	0.5
124.01658	0.4
125.02425	1.1
132.02171	2.0
133.02956	44.9
134.03741	1.9
134.86609	0.2
135.00906	0.9
135.04524	13.9
137.02397	0.8
139.03986	0.4
147.04547	0.3
152.01132	1.3
153.00681	0.4
153.01933	11.0
153.03120	0.5
159.04506	0.2
161.02448	100.0
162.02773	0.5
163.04079	0.3
166.67607	0.2
178.02739	0.2
179.03508	6.3
221.04515	0.3
227.16447	0.4
237.37222	0.2
251.92844	0.2
255.16122	0.5
267.31851	0.2
279.23233	0.5
285.20621	0.3
291.23312	1.0
293.21381	0.3
295.22812	1.2
307.22784	0.5
309.21069	0.2
309.24344	1.3
311.22241	0.3
323.22076	0.3
335.22412	1.1
341.23318	0.9
353.12570	2.2
353.23465	3.3
371.13602	9.1
371.24414	22.2
385.25989	0.3
397.15054	8.9
413.25452	0.5
436.09897	0.3
447.26132	0.5
486.94788	0.2
489.27017	1.4
533.16724	60.6
533.28644	6.4
534.16815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.82174	0.4
59.40189	0.4
65.00314	0.4
77.38294	0.5
80.65122	0.4
93.03448	0.7
107.01379	3.7
109.02929	0.9
132.02109	2.4
135.00887	3.6
136.88116	0.6
140.77808	0.4
143.05022	0.9
151.00360	2.8
151.01392	0.4
157.06549	0.9
159.04506	1.9
160.86176	0.5
163.00380	2.8
164.01080	0.8
167.04880	0.6
171.04572	0.9
182.03795	0.5
183.04472	0.6
185.06082	1.1
187.04012	4.6
189.05557	0.8
189.45901	0.4
195.04463	0.5
197.06056	0.7
199.04060	1.0
211.04114	3.5
213.05594	1.9
227.03535	45.3
228.04053	0.6
229.05093	14.7
239.03445	1.1
241.05096	2.1
255.03015	89.1
256.03723	4.8
257.04584	7.0
267.03073	1.9
267.06570	0.4
283.02585	0.8
284.03296	93.8
285.04071	100.0
286.04367	1.8
353.10501	1.9
489.10471	49.3
490.10870	0.9
507.50180	0.6
531.45685	0.6
553.13965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00756	0.4
59.01389	2.9
59.58545	0.4
61.98853	0.4
64.33849	0.5
65.00327	0.5
65.53710	0.3
71.01396	0.8
76.92432	0.4
77.03955	0.7
81.03474	0.5
89.19752	0.5
92.10132	0.5
93.03457	0.6
95.01412	0.5
96.96001	0.5
97.02980	0.7
101.02403	0.7
103.29302	0.4
105.03447	0.9
107.01377	1.0
109.02963	7.2
112.94435	0.5
113.02428	0.6
117.91846	0.4
119.05025	0.9
121.02924	3.1
123.00896	0.6
123.04496	0.7
125.02428	3.6
131.14204	0.4
132.02168	0.4
133.02957	21.2
134.03694	0.6
135.04501	3.9
137.02415	0.8
143.04663	0.7
145.02975	0.9
146.74220	0.5
147.04570	1.8
148.01617	0.4
149.02435	2.8
151.00394	1.0
151.03949	1.0
152.01149	0.6
153.01958	4.0
161.02448	3.6
163.00378	3.2
163.04028	4.4
165.01984	2.6
173.02438	0.8
175.04012	4.8
177.01962	1.0
186.44810	0.5
187.04004	0.6
189.01936	1.7
191.03535	2.7
193.01465	2.0
195.02995	1.9
199.04019	2.8
201.01952	2.2
205.75511	0.5
209.06071	0.5
211.03998	1.9
212.04683	0.5
213.05591	1.8
215.03564	0.7
217.05023	0.8
225.05617	0.8
226.02716	0.5
227.03548	1.7
227.07088	0.6
229.04898	0.5
236.04730	0.6
240.04247	1.8
241.05135	1.9
251.03528	0.5
253.05037	2.3
255.03014	1.1
255.06966	0.5
256.03680	0.7
265.05054	0.6
266.03018	0.5
269.04559	2.1
279.03000	0.6
281.04471	0.7
284.03296	16.6
285.04144	10.2
293.04688	0.8
297.04068	16.2
298.04837	10.1
299.05646	23.2
306.07501	0.8
309.04095	1.9
311.05698	3.0
315.07419	0.5
324.02682	0.5
325.03406	0.9
327.05161	100.0
328.05307	0.9
339.05164	3.5
357.06223	16.5
369.06351	0.7
393.06110	1.1
429.08228	2.8
447.09329	0.8
489.10489	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
59.19491	0.6
65.00336	0.9
77.03983	2.6
79.01914	1.1
95.01395	1.1
97.02949	0.9
99.04562	0.6
101.02465	0.7
105.15343	0.6
109.02991	6.9
119.05032	1.2
121.02962	4.9
129.01172	0.6
133.02032	1.1
133.02962	20.9
135.04515	5.3
149.02356	0.9
151.00415	1.2
159.04553	0.7
161.02440	2.5
163.00378	0.9
163.04018	3.8
165.01942	7.0
171.04507	0.8
175.03987	3.3
177.01935	2.7
187.03958	0.8
199.04007	4.2
199.07716	0.9
201.01988	1.4
209.06146	0.9
211.03992	1.2
213.05612	2.3
224.04634	0.7
225.05586	2.6
227.07150	1.1
231.03174	0.6
240.04266	0.8
243.06776	0.7
253.05157	1.3
255.06645	0.9
269.04599	2.6
284.03250	2.3
285.04099	8.8
285.17059	1.0
297.04099	15.2
298.04956	8.2
299.05661	59.1
309.04068	3.7
311.05737	9.0
324.02988	1.2
325.03622	0.8
327.05176	100.0
328.05597	0.9
330.03946	3.3
337.03546	3.1
339.05096	14.1
357.06229	29.4
369.06238	1.5
411.07437	1.4
429.08408	7.4
447.09317	10.8
489.10519	30.3
490.11066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07150	1.3
57.03468	1.9
59.01385	13.5
71.01389	3.4
77.03959	2.7
83.01419	1.8
85.02975	1.8
90.38970	1.5
95.01379	1.7
96.04591	2.0
96.96038	3.2
101.02435	2.3
101.19916	1.6
103.77123	1.5
109.02947	15.9
113.02446	6.5
117.03474	9.8
118.53342	1.6
119.05031	22.4
121.02965	3.3
128.03596	2.2
133.02954	28.0
135.04521	9.9
137.02519	2.6
143.04623	2.5
145.02982	31.6
149.02441	1.5
153.01942	4.0
161.02501	3.8
163.03992	24.3
165.01936	2.8
175.04173	1.8
177.01994	2.7
180.96619	1.6
181.95096	1.7
195.03020	8.6
199.04048	3.5
205.05096	2.3
212.04820	1.8
213.05615	1.9
225.05693	2.4
231.06795	1.6
241.04886	2.0
253.04961	2.4
269.04623	3.3
272.09094	1.8
285.04144	10.8
285.17062	2.4
293.04642	2.6
297.04059	17.6
298.04901	6.3
299.05618	54.8
306.07751	3.0
311.05585	9.4
327.05145	100.0
330.03796	6.7
339.05032	17.2
357.06171	26.2
369.06473	2.1
387.14124	2.8
393.06320	1.9
429.08206	7.3
447.09338	11.7
483.74063	1.5
489.10483	32.8
506.35934	1.8
533.17914	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	532.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78905	0.8
54.82954	1.0
55.13824	0.8
57.03456	4.1
57.59494	0.9
59.01389	100.0
61.98843	1.7
73.02959	1.8
83.01384	9.0
91.03997	1.7
92.10817	2.6
101.02443	4.0
111.53117	0.9
157.05066	4.8
170.04771	0.9
175.06125	14.6
175.22815	0.9
193.07178	2.4
200.34007	1.0
255.23331	66.0
312.22461	1.2
382.29626	0.9
413.29111	7.9
431.30212	37.0
458.34845	1.5
473.31772	7.5
516.93555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88756	1.6
55.01877	3.3
57.03452	3.5
59.01384	3.9
61.98835	9.2
73.02967	2.3
75.74756	2.1
78.49458	2.5
79.03511	1.9
82.98341	2.2
83.01385	44.4
92.65633	2.1
96.19835	2.1
128.45509	2.8
135.26659	2.5
148.14481	2.2
149.24881	2.0
157.05093	3.3
225.99873	2.3
279.23300	100.0
284.50134	2.1
296.73267	2.2
337.32581	2.2
339.69724	2.6
420.03561	2.4
432.01752	2.3
437.29129	49.6
481.31158	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	532.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50542	0.3
59.01384	8.8
61.98832	100.0
69.03461	0.5
69.63049	0.3
71.01378	5.4
71.05018	3.6
73.02942	10.4
77.13737	0.3
83.01402	2.1
85.02947	0.6
92.10806	0.4
101.02433	5.6
105.03443	0.6
107.05024	0.5
113.02434	1.7
121.02955	6.4
123.04510	1.5
125.02462	0.4
134.03746	6.0
147.78960	0.4
149.02487	0.6
149.09686	0.5
160.01712	0.6
161.02443	26.4
165.01974	0.6
167.81369	0.4
177.09158	0.8
189.01944	8.7
203.05635	0.5
219.03029	1.8
221.08208	19.6
231.02898	0.6
342.74850	0.4
430.35464	0.4
531.28448	0.6
554.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19426	4.0
59.01389	16.4
60.40262	3.8
61.98835	5.7
73.65917	3.6
76.48168	3.8
77.49811	3.8
95.01261	4.4
101.49504	4.1
102.41449	4.5
115.04063	4.3
118.92379	4.2
123.04562	7.9
137.09734	5.0
165.72592	5.4
167.07829	4.1
171.10295	10.2
195.13800	9.1
205.12297	8.3
209.12006	5.6
223.13335	39.7
225.11429	4.7
245.19131	29.9
275.94482	4.4
289.18127	100.0
307.19153	89.4
325.20157	26.4
449.48438	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	531.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87217	2.7
54.37368	2.5
54.37640	2.8
56.56548	2.8
59.01387	46.3
59.04123	2.8
69.03460	16.7
70.48792	2.8
70.95358	3.5
71.01382	8.3
76.65676	3.5
85.02955	6.4
89.02451	7.8
90.90495	3.3
93.03418	3.2
101.02471	12.5
119.05005	4.1
133.02924	4.6
153.09158	4.9
161.02473	6.0
191.14375	6.3
206.54056	3.5
215.52824	3.7
217.12439	4.9
235.13400	100.0
253.09335	17.8
283.13901	3.9
309.20752	3.6
336.51022	4.0
344.81732	3.7
369.22910	12.8
407.77267	3.9
484.68143	3.5
531.28235	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	531.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
57.70773	1.2
59.01387	57.5
61.98844	10.0
67.01915	1.8
69.03466	20.2
71.01402	11.0
71.05022	6.0
73.02938	12.2
73.38167	1.4
83.01394	2.8
83.05045	2.3
85.02955	3.0
89.02469	10.5
94.41698	1.7
95.05038	2.2
101.02443	13.2
109.02924	1.7
113.02472	7.3
119.05028	2.0
121.02969	2.3
135.04523	2.6
135.11807	2.1
137.09778	1.6
153.09261	2.1
161.02512	2.5
179.03416	1.7
191.14423	14.3
199.22858	1.7
207.14032	2.9
217.12369	10.5
221.08183	16.5
223.07748	2.5
229.23935	1.9
235.13428	100.0
251.07233	13.1
253.09290	23.0
267.10886	1.9
268.75360	1.9
279.06671	18.4
294.09094	11.4
304.18527	1.8
309.11456	11.0
471.22418	8.1
531.28357	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	531.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03451	2.2
59.01385	100.0
71.01382	21.9
73.02948	8.8
83.01394	2.8
85.02954	10.3
87.00874	0.9
87.04517	0.7
89.02442	3.6
89.06085	3.8
92.10126	0.9
95.01413	0.7
99.00877	2.6
101.02445	20.1
103.24627	0.4
113.02450	10.3
121.02947	8.7
125.02410	0.7
133.03012	0.5
143.03514	0.8
159.02992	2.4
161.04564	12.5
174.33093	0.5
183.38275	0.4
195.05319	0.5
233.10262	0.6
237.07683	4.7
239.02814	0.5
246.56258	0.5
251.11389	37.4
291.08759	2.6
381.07401	0.7
381.11990	14.1
399.13028	29.8
463.27191	0.5
531.27887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.8
61.41026	0.9
61.98824	1.7
78.95899	15.5
79.04871	1.0
90.85905	1.1
112.02328	1.0
122.98498	1.1
152.99577	4.8
165.01089	1.1
168.04333	2.0
224.06946	6.8
231.41878	1.1
239.73784	1.0
255.23326	100.0
272.43756	1.2
306.49188	1.2
480.30972	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18010	0.7
52.75460	0.8
57.28233	0.8
59.01392	14.0
61.78355	0.9
61.88769	1.0
62.15660	1.0
69.60988	1.0
69.90579	1.0
71.01399	5.6
78.95901	1.2
79.65052	1.0
89.02410	1.1
96.96011	59.4
96.96974	2.1
109.02972	1.5
113.02439	1.9
119.05057	4.5
121.02961	100.0
133.02885	1.0
135.04558	1.6
136.01666	81.9
137.02464	1.9
145.06625	1.7
147.04552	2.1
151.04021	98.8
156.38181	1.2
161.02460	4.8
176.04872	1.3
187.80527	1.1
255.41817	1.1
256.05582	1.3
281.12079	1.5
312.10104	2.1
327.12460	92.2
531.28015	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	531.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.92463	0.2
57.03429	0.3
59.01385	100.0
60.14861	0.2
61.94324	0.2
71.01380	20.5
72.99323	0.4
73.02940	4.6
75.00882	0.4
75.56804	0.2
83.01371	2.6
85.02949	5.3
87.00864	0.3
87.04507	1.7
89.02437	4.0
89.06076	4.6
91.14631	0.2
95.01408	0.9
96.96006	0.3
97.02956	0.3
99.00882	1.0
101.02451	7.2
101.65401	0.3
105.94073	0.4
113.02452	5.5
119.03515	1.3
121.02965	4.8
124.06023	0.2
125.02467	0.4
135.04597	0.3
143.03464	0.6
159.02985	0.5
161.02441	0.6
161.04552	5.4
165.01923	0.9
195.40381	0.2
233.10271	1.4
237.07727	5.8
251.11403	21.6
291.08798	2.2
381.11966	28.0
382.12131	0.3
399.13116	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64219	1.6
56.58144	1.7
59.01397	13.2
71.01383	3.3
85.02991	2.0
89.02460	4.7
101.02456	9.8
113.02465	3.4
119.03538	2.9
137.13177	1.9
153.24394	1.8
161.04544	3.5
195.13947	7.9
208.77412	1.9
223.13464	7.8
226.81062	2.2
253.09254	23.1
256.13159	2.0
264.73734	2.8
275.20239	4.7
293.21277	100.0
470.18069	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	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02752	0.7
58.58277	0.8
59.01388	9.6
71.01401	5.5
74.00605	0.8
77.22282	0.8
85.02968	0.9
85.27824	0.8
87.00875	0.9
89.02466	5.5
99.18730	1.0
101.02431	6.6
113.02428	1.6
119.03501	0.8
148.76399	0.7
161.04555	3.7
179.05579	0.9
195.13934	11.7
223.13393	7.0
253.09337	17.4
256.13077	1.0
275.20117	7.0
293.21283	100.0
300.26251	0.8
447.13495	3.0
524.22296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52627	0.5
56.80629	0.5
58.39004	0.5
59.01379	0.7
63.02408	0.5
65.00330	3.7
65.66187	0.6
76.39369	0.6
81.03451	5.3
92.10055	0.6
102.73811	0.7
107.01441	1.1
109.02943	4.9
123.04502	5.9
124.01691	0.7
125.31507	0.6
128.89897	0.6
133.02982	1.3
134.03734	5.0
135.04520	100.0
149.02444	0.7
149.99579	2.4
151.00391	3.9
158.38466	0.6
159.04443	0.8
161.02434	5.9
172.01695	1.4
173.02472	1.0
174.03270	5.4
175.04004	3.4
178.50044	0.7
185.02443	1.5
187.03947	1.2
198.03168	0.8
199.04066	1.0
201.01941	2.9
203.03577	0.9
209.06139	1.1
210.06836	0.9
211.07697	2.4
213.01996	4.6
213.05560	2.3
214.02647	3.0
215.07166	0.8
223.04019	0.8
225.01903	1.2
225.05389	0.9
226.02589	1.1
227.03615	0.8
235.07588	1.0
237.05711	2.2
238.06371	2.4
239.07103	2.8
240.04166	0.9
241.01469	0.8
241.05057	6.4
242.02310	1.4
243.02982	7.4
253.05025	0.7
254.06015	1.0
255.06734	4.9
256.00134	8.8
258.01889	0.8
261.05508	1.1
263.07117	1.2
265.05042	2.9
269.00922	20.6
275.07175	0.8
277.04962	0.9
279.06631	4.3
281.04700	1.0
281.08173	3.8
282.05362	1.3
283.02640	2.7
283.06085	21.8
285.04205	0.8
295.02573	1.0
297.07800	1.3
303.06631	1.1
305.08331	1.2
307.06119	13.5
309.04221	1.0
321.07852	1.1
323.05862	1.0
323.09348	0.9
325.07199	14.8
331.06036	2.4
349.07294	5.6
351.05002	1.5
365.06766	0.9
367.08334	5.4
375.05142	2.4
393.06226	51.8
394.06610	1.1
405.06247	9.0
406.06918	0.8
419.07364	0.7
438.04404	0.7
529.11469	71.6
530.11725	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	529.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57747	1.5
59.01386	23.3
61.80512	1.5
68.99833	2.6
71.01398	12.3
78.37975	1.6
82.95406	16.3
83.01411	3.2
85.02978	3.7
87.00889	3.6
87.33373	1.7
88.98318	1.5
88.98792	13.2
89.02470	8.4
92.10129	2.4
93.03463	3.1
96.96008	26.3
97.02937	2.3
101.02475	7.2
109.02950	7.1
113.02480	9.1
117.03442	4.2
119.03670	2.4
119.05018	68.0
125.02446	2.0
125.33500	1.7
133.02959	2.1
134.03708	1.9
135.04532	4.1
137.02452	12.0
139.92160	1.9
142.57629	2.2
143.05028	36.9
145.02942	15.7
149.02383	2.7
151.00409	2.0
153.01909	2.4
159.04523	2.6
161.02457	11.1
161.06061	2.9
163.10736	1.8
167.04985	2.3
171.04489	6.9
183.04510	2.1
185.06035	7.0
187.04019	29.8
193.00464	1.9
195.04500	1.9
209.06078	8.7
211.04033	2.7
211.07677	3.6
212.04866	2.5
213.05557	12.7
223.04012	2.3
223.07703	2.9
225.05627	7.6
227.03580	4.0
227.07205	3.0
229.05040	9.8
233.06050	2.4
235.07584	7.6
237.05586	11.3
239.03494	2.6
242.05862	2.2
249.05557	3.9
251.07216	12.2
253.05057	4.4
254.05884	4.5
255.03029	9.3
255.06642	74.4
256.94168	1.9
259.07629	3.2
261.05698	1.9
263.03433	4.2
263.07065	1.8
264.04269	9.8
275.07202	3.5
277.05023	10.4
277.08923	2.1
278.05838	9.0
279.06613	66.0
280.03705	2.4
281.04544	17.1
282.05225	3.1
291.06665	4.2
295.06064	3.6
297.07788	2.3
301.07330	3.3
303.06583	10.8
305.04547	11.7
313.07254	9.6
319.06311	9.3
321.07733	9.1
323.05521	16.7
347.05569	16.2
357.11560	2.0
365.06769	10.0
373.07144	2.9
383.09412	2.4
391.04538	37.5
404.05209	2.1
425.10376	11.4
449.10602	2.0
463.12411	3.8
467.11386	37.6
485.20230	3.8
511.10400	100.0
529.11389	16.7
529.19330	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64983	2.5
59.01387	41.8
61.54203	2.3
64.26229	2.7
65.00330	2.9
71.01380	7.0
73.02951	3.2
85.02941	6.7
87.00900	5.4
88.98824	3.9
89.02425	4.0
96.96007	100.0
101.02447	12.9
109.02933	10.6
113.02419	11.4
117.03462	2.9
119.05019	69.0
121.02912	3.2
123.04396	3.8
129.01933	4.7
133.03000	9.4
135.04453	4.4
137.02420	6.1
143.05051	24.8
145.02943	18.5
149.09636	3.3
153.01921	4.4
161.02454	14.6
185.06097	3.5
187.03914	10.1
213.05663	5.9
214.02721	3.2
225.05492	4.7
235.07625	6.7
237.05534	6.0
251.07266	10.6
253.05031	5.2
255.02982	6.9
255.06653	51.4
265.04932	4.7
269.04532	3.7
277.05206	6.6
278.05789	4.4
279.06686	41.2
281.04541	12.3
293.04459	3.0
294.39456	3.1
303.06659	3.9
304.03976	4.1
305.04495	4.3
319.06058	4.2
321.07620	7.1
323.05518	6.7
347.05518	15.2
391.04645	27.5
419.07999	3.8
425.10648	3.5
466.10104	4.5
467.11288	33.2
511.10211	55.0
529.11444	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19452	0.2
53.58984	0.2
55.01885	0.3
57.03452	0.3
58.15467	0.2
59.01107	0.4
59.01385	8.2
62.03007	0.2
71.01383	2.8
73.02951	1.6
78.95924	0.3
82.95408	1.6
83.01354	0.3
83.91773	0.2
85.02959	1.2
87.00873	0.3
88.98779	0.5
89.02438	1.5
96.95998	3.1
99.92578	7.3
101.02426	1.8
109.02942	0.4
113.02443	1.7
114.93418	0.4
116.92858	100.0
117.92899	1.0
119.03494	0.4
119.05024	1.6
125.02448	0.3
132.81049	0.2
135.04536	0.3
137.02425	0.4
143.05029	0.5
145.02971	0.4
152.79851	0.2
153.01904	0.5
161.02425	0.5
163.00101	0.2
187.03996	0.8
195.02962	0.9
209.06050	0.3
215.59312	0.2
226.68484	0.2
250.45242	0.3
251.07042	0.3
255.05037	1.5
255.06966	0.8
277.05170	0.3
279.06607	2.1
281.04559	0.4
281.13943	1.4
295.06223	0.2
347.05695	0.5
391.04507	0.6
447.22064	0.4
467.11060	0.5
485.20358	6.9
511.10593	2.3
529.11877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88106	0.1
57.03442	0.1
59.01391	1.7
71.01395	0.2
73.02962	0.2
79.95740	1.7
83.01410	0.2
85.02962	0.2
88.30038	0.2
92.65778	0.2
96.96011	100.0
100.92784	0.2
101.02437	0.2
106.11903	0.2
117.03465	0.7
119.04997	0.7
132.01898	0.2
135.04593	0.2
161.02443	0.2
163.04063	0.2
185.91565	0.2
191.30405	0.2
239.06995	0.2
255.06749	0.3
275.12970	0.3
279.06659	0.3
281.04608	0.2
281.14163	0.2
283.06174	3.3
311.05655	3.5
321.08218	0.2
323.05569	0.3
341.06763	0.4
358.63800	0.2
372.13220	0.2
431.09888	3.6
511.10199	0.3
529.10834	0.2
529.26398	0.4
532.14905	0.2
555.03619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21673	1.4
56.74428	1.4
57.03451	1.5
59.01374	14.1
71.01386	3.1
89.02466	3.1
95.05001	1.6
101.02458	8.5
111.08192	16.5
113.02454	2.0
120.08630	1.6
125.02432	2.0
177.12834	2.6
179.12656	1.4
195.13918	9.5
253.09377	14.2
278.05087	1.9
280.06601	1.7
288.11258	1.8
291.19693	100.0
296.31644	1.9
435.33441	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	527.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47470	22.1
50.67095	23.3
56.20142	20.1
60.43747	25.7
62.68673	19.7
78.85669	29.4
78.95914	31.6
82.20594	22.4
104.38854	25.8
145.02979	100.0
213.50249	27.8
255.23238	34.2
491.30316	40.3
500.53229	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	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82715	19.7
61.98850	84.5
78.95928	100.0
85.94044	22.7
89.73539	18.7
92.10841	24.8
94.31627	20.2
173.22058	22.0
209.04384	24.2
247.57550	22.5
251.55225	23.2
255.23405	39.7
320.50354	24.2
528.04834	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	527.1354
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
55.78408	1.9
59.01395	9.0
65.00343	3.5
77.59557	2.4
88.98833	2.9
93.03452	5.3
100.74377	2.1
103.58061	2.4
117.03507	3.3
119.05028	81.9
123.04525	2.7
125.02432	3.6
135.08170	2.9
145.02954	11.2
149.99632	3.9
151.00456	4.4
174.03252	3.5
175.04099	3.5
182.17310	2.2
187.04074	3.8
197.02548	2.6
213.01868	3.4
214.02541	3.4
218.05858	2.5
242.02489	2.6
242.99411	2.7
243.03011	3.0
253.05141	3.8
256.00214	13.7
269.00980	3.5
277.04919	3.7
278.05396	3.5
278.55405	3.2
279.06543	3.9
281.04590	4.1
282.05429	3.6
297.07849	24.3
321.07852	3.8
339.08719	14.0
342.81058	2.5
376.06030	15.8
381.09756	3.3
389.06696	3.2
407.07684	14.8
527.13568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01151	0.5
59.01378	5.4
60.99309	16.6
63.26157	0.5
68.96525	0.6
71.01376	2.7
72.59123	0.6
79.95750	0.9
80.96503	6.3
85.02943	1.3
87.00890	0.9
88.98802	100.0
92.10210	0.8
96.96009	2.8
101.02451	1.4
109.02945	1.1
113.02460	1.0
119.05010	4.2
123.29601	0.7
125.71455	0.7
133.02930	1.4
133.06517	1.0
135.04509	9.8
145.02950	5.1
149.06075	1.2
159.04546	0.8
161.02443	13.6
161.06026	1.4
162.70078	0.7
163.04027	3.6
177.05563	4.7
179.03510	9.1
187.04094	0.9
205.05019	1.7
221.02612	0.7
221.04591	3.4
224.73987	0.7
225.00652	1.4
251.05586	0.9
281.06754	7.8
301.21127	0.7
341.08823	6.2
354.15817	0.8
403.42691	0.9
437.10861	6.8
446.54700	0.8
527.18195	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	525.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74003	1.1
59.01391	7.7
61.98842	2.1
69.58985	0.9
71.01397	2.1
73.02982	1.1
75.04169	1.0
76.60368	1.0
78.83234	0.9
85.02970	4.5
87.00880	7.1
89.02443	1.9
91.01923	1.3
92.10143	1.2
93.03487	1.4
96.96000	7.9
97.77203	1.1
101.02460	4.4
105.02488	1.1
108.02186	30.0
109.02971	7.6
113.02469	8.2
119.05108	1.4
119.93481	1.0
120.45702	1.1
121.02938	11.8
122.03743	7.0
123.00879	1.3
123.04514	23.4
133.02960	13.4
134.06145	8.2
135.04521	100.0
137.02448	50.5
141.08711	1.2
149.02449	29.7
149.06111	2.7
150.03230	67.4
151.03990	1.4
152.01161	69.5
161.02449	53.1
163.03995	1.5
164.04810	4.6
165.05571	62.1
166.49989	1.5
167.03493	98.1
177.01962	1.6
177.05562	11.5
178.05101	6.9
179.03519	32.4
180.04187	4.9
191.03514	2.2
195.06638	26.0
197.04526	1.8
203.03511	7.4
209.04599	13.9
214.00146	1.1
215.89917	1.2
221.04575	8.9
239.05594	11.4
251.05630	2.8
256.07327	4.7
269.06723	7.2
271.10059	1.2
281.06570	9.2
299.07806	15.1
315.08743	9.9
329.08853	2.0
339.56418	1.2
341.08777	15.3
359.09790	17.9
363.10959	23.5
411.09515	1.2
443.93466	1.1
525.16168	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.1
61.98838	0.7
71.01395	0.8
79.95742	1.6
85.02964	2.3
89.02460	1.1
91.01924	1.0
93.03466	3.5
95.01427	0.8
96.96008	100.0
101.02444	2.4
108.02174	17.2
109.02992	3.1
110.20397	0.6
113.02453	1.6
121.02962	17.3
122.03740	11.9
123.00914	0.9
123.04533	18.6
129.01945	1.7
135.04530	1.4
136.01678	0.9
147.56396	0.7
149.01253	1.5
149.02451	37.7
150.03235	99.8
151.00394	3.9
151.03810	0.9
152.01151	41.2
153.01962	1.6
164.04807	9.0
165.05577	92.1
166.02715	1.5
167.03497	66.5
180.04288	6.1
181.05035	1.5
181.74211	0.6
194.02242	2.4
195.03011	1.0
195.04805	1.7
195.06627	34.6
198.15512	0.6
209.04539	4.5
215.03619	0.6
220.21429	0.7
224.04811	1.0
227.07144	0.8
241.05003	0.7
256.07419	14.9
271.06479	1.2
271.09760	5.7
300.06458	0.9
315.08804	37.1
329.08948	1.2
357.09848	1.2
363.10938	41.6
387.60498	0.7
427.08868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21189	0.6
59.01385	7.0
62.14293	0.6
70.52542	0.6
71.01402	4.2
72.91013	0.6
83.33382	0.7
85.02964	3.3
87.00911	3.6
89.02468	0.9
95.01429	0.8
96.96005	1.4
101.02472	1.5
108.02203	4.3
109.02966	6.2
113.02470	7.8
121.02959	7.3
122.03708	2.7
123.04541	10.7
126.72755	0.7
133.02974	13.3
134.06113	4.3
135.04527	100.0
137.02448	50.1
139.03995	1.2
147.04559	1.1
149.02438	8.7
149.06102	5.4
150.03259	9.8
151.04018	1.0
152.01154	10.6
161.02452	53.4
163.04056	1.2
165.05589	11.0
167.03513	17.0
175.03981	3.2
177.01904	1.7
177.05595	10.7
178.05092	3.0
179.03510	22.0
191.03539	3.8
195.06628	3.5
197.04594	0.9
203.03525	12.7
209.04570	10.7
221.04527	7.1
233.04460	1.2
239.05602	10.4
239.76297	0.8
243.86348	0.7
245.23442	0.8
251.05553	1.3
256.07394	1.1
269.06760	5.1
281.06641	7.8
284.54547	0.9
299.07779	11.8
315.08923	1.0
323.07578	0.8
329.08655	0.9
336.28851	0.7
341.08746	16.4
359.09903	20.1
363.11093	5.2
368.81055	0.8
439.12570	3.3
516.18390	0.9
525.16400	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	525.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10261	0.5
58.32207	0.6
59.01381	13.7
64.06145	0.6
71.01398	3.5
75.11845	0.6
85.02970	0.9
87.00877	4.3
89.02441	5.8
92.10043	1.3
101.02446	3.7
109.02971	3.0
111.00930	0.8
113.02451	4.7
119.03542	3.2
121.02934	4.5
123.04469	0.6
133.02951	22.3
134.03688	1.1
135.04523	44.7
137.02435	3.6
145.79962	0.5
147.04485	0.6
149.06090	3.4
149.09578	0.7
161.02448	100.0
162.02861	0.7
175.04042	6.3
177.05577	4.4
179.03513	34.5
189.05455	0.8
203.03517	21.9
203.69708	0.6
207.02921	0.6
221.04541	4.7
233.04478	0.8
247.93295	0.6
269.04538	1.0
281.06775	8.6
301.07288	6.0
302.87054	0.8
323.07593	3.4
341.08810	41.3
359.75967	0.6
378.17212	0.6
411.09464	2.9
418.21558	0.7
455.11975	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	524.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06418	0.1
53.78274	0.1
57.97565	0.2
59.01382	0.4
61.98825	0.3
73.97066	1.1
77.17181	0.2
85.64114	0.2
90.73342	0.1
92.65115	0.2
114.76888	0.2
120.04553	100.0
134.02461	1.3
145.64772	0.2
249.07693	0.2
261.16135	0.2
271.92267	0.2
320.14435	16.9
445.86581	0.2
535.73999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
60.12971	0.2
71.01386	0.8
79.95719	1.7
85.02959	0.7
89.02447	0.2
91.01901	0.2
93.03465	0.7
95.01369	0.2
96.96005	100.0
101.02432	0.2
105.20154	0.2
108.02165	4.0
109.02950	1.8
111.00893	0.2
113.02470	0.6
121.02944	3.1
122.03720	1.9
123.00903	0.2
123.04528	4.1
129.01944	0.3
133.02921	0.7
135.04521	0.4
149.02452	6.1
150.03230	18.1
151.00342	1.0
151.03914	0.2
151.64641	0.2
152.01164	8.4
153.01962	2.5
159.04469	0.2
161.02489	1.4
164.04796	1.0
165.05573	16.6
166.02687	0.3
167.03493	13.3
177.05473	0.2
179.03522	0.3
180.04280	1.2
181.05099	0.3
194.02106	0.4
195.03073	2.0
195.06644	6.3
208.97577	0.2
209.04568	1.0
223.03967	0.2
224.04881	0.2
227.07162	0.2
241.04994	0.7
255.05145	2.1
256.07416	3.2
257.07834	0.2
271.09772	1.1
292.99680	0.4
315.08804	6.6
329.08862	0.2
341.08795	0.8
357.10077	0.2
363.10895	8.6
427.09061	2.2
525.06000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.9
56.25927	0.8
57.03453	1.6
58.15970	0.9
58.92049	1.0
59.01385	42.4
71.01384	25.4
72.99309	1.1
73.02947	7.4
83.01397	5.8
83.05031	1.8
85.02952	13.9
87.00879	5.6
87.04530	1.3
88.98775	1.2
89.02436	11.0
93.03493	1.3
95.01370	1.5
96.96028	1.2
99.00842	1.4
101.02443	16.2
103.10699	0.9
104.91045	0.9
109.02971	8.2
109.76407	1.0
111.00889	1.2
113.02474	8.2
119.03487	3.4
121.02959	22.2
122.03764	17.7
123.04548	1.9
124.01659	1.1
129.03442	1.0
133.02927	1.8
135.04524	5.5
137.02415	4.1
147.04544	9.8
148.05293	1.0
149.06096	2.2
149.27975	0.9
153.01959	2.3
154.02724	1.1
161.02428	6.3
161.06078	5.6
165.05576	24.4
165.12784	1.0
169.02580	0.9
172.05334	1.1
173.06122	1.0
174.06821	1.1
175.07635	1.7
179.05687	1.0
179.07124	9.6
180.07930	5.4
191.07156	2.0
209.11862	45.1
227.12920	6.7
237.07863	1.1
253.09341	5.5
275.18625	1.8
297.11438	1.5
298.12225	1.4
313.10852	1.2
313.14194	1.0
315.12479	1.3
328.13147	5.2
331.15451	5.4
339.35410	1.1
343.15457	4.2
346.14224	9.2
354.13858	1.0
361.16629	64.7
437.24377	1.5
479.25323	7.9
493.20816	1.4
505.20752	1.6
523.21912	100.0
546.19897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.4
66.82694	0.6
71.01401	1.1
72.53076	0.5
73.02966	0.7
76.56747	0.5
78.93228	0.6
85.02977	1.0
87.00867	1.0
88.98823	3.3
89.02441	0.8
92.10149	0.9
106.49222	0.5
109.02975	1.4
113.02438	1.1
119.87792	0.5
121.02975	3.3
122.03738	4.8
123.04539	1.1
127.04840	0.6
134.03728	0.6
135.04521	24.3
135.49829	0.6
137.02428	0.8
145.02989	1.0
147.04543	1.4
149.06055	7.5
151.04022	3.4
153.01935	0.8
161.02478	0.8
161.06071	10.7
163.04037	6.2
166.02686	0.9
166.06386	1.2
167.07167	2.8
175.07681	2.3
179.03568	0.9
179.07137	8.7
180.07924	63.2
181.05096	0.9
182.05841	4.9
183.10542	0.8
190.06375	2.4
191.07166	3.4
192.07939	11.4
193.05113	0.8
193.08707	7.9
194.05846	10.1
194.09482	2.3
195.06604	5.9
195.10193	1.1
207.10313	1.2
209.08226	2.3
210.08913	1.1
212.06952	11.7
223.09680	1.0
226.08495	4.6
243.06778	0.6
254.05748	0.8
283.06131	1.1
295.09698	0.7
297.11365	3.7
311.05508	1.2
313.10858	9.5
316.13116	7.5
328.13217	13.7
331.15543	24.3
343.15540	15.4
346.14301	0.8
361.16629	100.0
362.17050	1.4
431.09790	1.2
463.22034	1.2
479.24939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34500	0.3
59.01387	5.9
65.89680	0.3
69.03500	0.3
71.01380	3.2
73.02946	2.9
77.75687	0.3
83.01387	0.5
85.02929	2.1
89.02455	0.3
96.07853	0.3
101.02445	1.9
103.04265	1.9
106.06625	20.0
110.02497	2.2
111.03347	0.3
113.02444	2.8
115.29166	0.3
118.06624	7.8
120.04558	0.7
120.08176	0.5
122.06123	1.2
134.06123	100.0
135.06384	0.4
136.07681	12.6
136.76958	0.3
138.05580	0.7
140.07210	5.7
143.03484	0.4
146.06151	0.4
148.07698	1.9
148.30861	0.3
151.04007	0.4
162.05627	3.1
164.07208	0.6
174.05643	1.3
176.07198	0.4
178.05106	37.0
180.06688	9.2
190.08757	0.3
192.06680	13.9
192.68138	0.3
194.08194	1.4
204.06706	0.7
216.64468	0.4
218.08238	1.1
220.06168	8.1
222.07761	3.0
232.06184	0.6
245.26976	0.4
250.07259	0.3
322.09384	1.9
324.10925	1.2
382.11453	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	523.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
71.44888	0.3
95.01390	0.3
96.95992	0.4
98.66018	0.3
99.03232	0.3
101.06104	0.2
106.00591	0.7
109.02962	0.6
110.00100	0.6
111.00883	0.6
121.02927	1.3
122.00095	1.7
123.00885	4.6
125.02422	1.7
132.02162	1.4
133.02945	0.7
135.04547	0.5
137.02435	1.5
137.99545	0.3
138.03235	0.6
139.00362	2.5
140.01176	4.4
143.04988	0.3
147.00931	2.5
148.01678	17.8
148.25729	0.3
149.02458	1.4
149.99597	6.3
150.00710	0.5
151.00375	1.4
153.01945	10.5
155.03474	2.0
159.04532	1.9
160.01675	5.6
161.02443	8.3
165.01935	4.1
166.02692	0.4
171.04539	1.6
175.00359	9.8
175.03958	0.4
183.04485	0.4
185.02579	0.3
187.03998	0.4
190.02763	0.5
193.01384	1.8
199.04045	3.3
203.03568	1.1
207.02971	0.4
211.04039	1.6
213.05615	0.6
215.03572	2.5
226.02812	0.6
227.03532	13.8
229.01523	0.4
230.05885	1.2
231.02972	0.5
241.05008	0.6
242.02287	0.5
242.06033	0.3
243.03009	3.8
254.02155	0.5
255.03008	9.7
256.91412	0.3
257.04407	0.9
257.34137	0.3
258.05441	2.2
269.04562	1.3
270.05411	2.7
271.02496	6.7
283.06155	2.3
286.04816	1.7
299.01938	1.5
313.03632	0.3
314.04367	36.1
329.06720	100.0
330.06961	1.3
361.09293	1.6
409.75681	0.3
487.10406	0.6
523.18768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35949	6.2
60.17964	6.0
62.05762	6.2
87.84426	6.4
96.96003	57.2
113.02453	11.0
113.38359	8.1
117.03491	8.2
119.05024	95.8
145.02942	100.0
163.04025	70.9
178.25960	7.6
225.64885	6.7
252.32414	8.6
325.09302	45.2
328.34109	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	523.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35949	6.2
60.17964	6.0
62.05762	6.2
87.84426	6.4
96.96003	57.2
113.02453	11.0
113.38359	8.1
117.03491	8.2
119.05024	95.8
145.02942	100.0
163.04025	70.9
178.25960	7.6
225.64885	6.7
252.32414	8.6
325.09302	45.2
328.34109	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	521.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46123	1.5
55.01885	11.4
57.03439	6.7
58.00602	2.1
59.01382	45.7
66.73409	2.0
68.99808	2.2
71.01378	39.3
72.99326	3.7
73.02935	18.5
75.00882	4.3
76.64944	1.8
83.01369	16.2
84.02177	2.5
84.76989	1.7
84.94627	1.6
85.02942	25.5
87.00887	13.2
89.02437	2.3
96.96003	12.0
97.02929	3.3
97.06562	15.3
99.00903	7.6
101.02437	36.9
109.02971	3.2
109.06625	4.2
111.00903	9.3
113.02437	21.2
119.05019	9.2
125.02484	2.4
133.02939	14.5
134.02527	6.7
134.03729	15.5
135.04523	12.9
137.02463	2.9
139.04051	1.9
145.02968	2.2
149.00905	10.5
159.04514	2.1
161.02423	4.2
161.04599	7.0
178.02739	3.6
187.03983	3.3
187.07637	2.5
191.05623	2.3
211.13385	9.7
229.08749	2.4
241.05043	3.0
243.19768	3.8
273.20740	29.2
283.13522	4.6
301.14603	2.8
309.14810	3.7
318.14520	10.5
327.16113	9.7
345.17087	17.3
349.65161	2.0
371.14987	7.6
375.23810	11.6
379.08365	2.0
389.16309	1.7
405.25006	9.4
461.31213	3.4
473.30856	1.9
503.32657	2.9
521.20905	5.5
521.33356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11610	0.8
53.63271	1.2
55.01900	1.0
59.01384	100.0
60.47507	1.0
64.34929	1.5
66.71434	1.1
71.01378	12.8
72.99316	1.6
73.02950	5.4
78.95890	9.9
83.01394	1.4
85.02982	2.3
87.00893	5.7
89.02450	6.1
101.02445	5.6
105.03432	1.8
106.04230	1.6
109.02969	7.7
113.02475	2.3
114.86082	1.1
119.05067	2.2
121.02947	4.6
133.02943	28.3
134.03740	25.3
135.04506	6.6
137.02434	13.9
139.04005	6.2
149.00925	8.3
152.99564	14.5
161.02441	4.5
172.05469	1.3
173.06094	1.5
175.63914	1.2
177.01929	7.3
178.02730	35.5
179.03455	6.3
187.04016	2.9
211.13425	7.3
265.05328	1.1
283.13535	1.8
299.16312	1.6
301.14386	2.0
309.15097	7.1
310.03394	8.6
316.54236	1.4
327.16086	13.5
343.96671	1.2
345.17084	21.4
371.14572	1.8
389.16214	6.3
424.13766	1.8
521.33215	6.3
536.42499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70535	1.6
59.01372	2.0
61.17110	1.8
62.62275	1.6
63.26238	2.1
63.29075	1.6
64.13472	2.0
78.95908	2.1
88.98855	2.9
92.10107	6.5
151.11292	11.4
151.57355	2.0
152.99550	4.0
163.11302	3.7
169.12355	100.0
185.11855	2.1
199.04382	2.3
213.11368	63.1
245.19112	2.9
280.11951	2.2
289.18091	20.1
307.19144	22.6
325.20099	3.0
364.30109	2.4
373.82651	2.2
521.31079	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
51.53984	0.7
55.01903	3.3
57.03461	1.1
58.40988	0.8
59.01389	31.4
59.99151	0.7
61.98831	0.8
71.01383	19.0
71.01722	1.0
72.99308	1.8
73.02968	4.6
83.01405	3.8
85.02930	7.8
86.00172	0.9
87.00899	5.3
89.02424	6.1
95.01400	1.0
99.00899	1.6
101.02438	11.7
110.65859	0.8
111.00892	0.9
113.02443	2.1
116.72778	0.8
119.03476	0.9
121.02939	9.1
122.03758	0.9
145.03014	2.0
147.04489	1.1
153.01932	0.9
159.04523	3.5
180.08002	1.0
238.06346	1.4
240.04272	1.5
251.06985	1.2
255.06639	3.7
263.07104	1.6
267.06552	1.9
268.07489	6.2
269.08270	8.8
270.09036	1.1
274.75964	1.0
278.87955	1.0
280.07541	2.0
281.08157	14.6
281.23438	0.9
282.09027	5.6
283.09775	9.9
293.08279	4.4
295.09705	3.6
296.10535	1.7
299.09320	7.3
300.10117	1.2
302.07971	1.4
311.09299	7.2
314.08240	1.7
314.11688	9.2
315.12497	4.7
326.11661	12.9
327.12411	9.1
329.14011	13.6
341.13992	9.1
343.11823	4.4
355.11938	3.1
445.15051	1.3
461.14594	1.7
463.78156	1.1
473.14651	5.4
476.17105	12.2
488.16925	5.5
491.19324	100.0
492.19681	1.8
503.19290	71.1
504.19116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29704	0.4
57.57314	0.5
59.01380	4.0
71.01385	3.3
71.38644	0.4
73.02956	2.5
78.95894	0.5
80.45675	0.4
83.01387	0.5
85.02966	2.3
88.98818	2.3
89.02459	0.5
92.10749	1.1
93.03466	0.5
96.82497	0.5
96.96017	0.5
97.27829	0.4
101.02454	2.8
109.02957	1.8
113.02470	2.2
121.02951	6.4
122.03747	2.8
123.00883	0.7
129.01996	0.7
133.02930	0.6
135.04536	3.3
136.05296	1.9
137.02473	1.0
137.59198	0.5
143.05060	1.0
146.03685	0.7
147.04535	4.6
149.02481	1.9
150.03214	6.1
158.03755	4.0
159.04518	13.6
160.05304	43.1
161.02415	1.9
161.06090	11.1
163.04056	6.5
164.04817	6.6
173.06044	5.8
174.06900	0.9
175.07651	35.9
176.04842	0.6
176.07970	0.6
177.05579	8.4
178.06354	13.8
179.03528	1.0
192.07921	3.1
193.08699	4.4
243.06534	0.6
273.17175	1.7
283.06406	0.5
298.50787	0.5
314.11755	0.7
329.14011	100.0
330.14279	1.6
359.15079	3.1
477.23587	1.0
477.91479	0.5
541.53223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01384	1.6
60.99310	10.2
61.86781	0.9
63.34504	0.8
63.63929	0.8
64.20825	0.8
64.43513	0.8
71.24202	0.8
77.25683	0.8
82.95397	0.9
88.98800	46.1
105.07132	0.9
113.90160	1.0
119.05054	1.2
121.02962	1.3
123.04552	1.2
134.03740	1.9
135.04517	1.8
145.02948	3.4
146.03770	2.0
147.04533	3.8
148.05316	5.8
149.06139	1.8
159.04515	6.8
160.05325	13.4
161.02480	2.2
161.06087	16.5
162.03247	9.0
162.06877	4.8
163.04016	7.3
171.04445	1.7
172.05301	84.7
173.06094	4.5
174.03201	6.2
175.04051	2.3
175.07629	13.4
175.09030	1.2
177.05606	8.3
178.06366	12.6
180.04330	4.2
183.14958	1.0
187.00235	1.0
187.07646	76.9
189.05583	5.3
190.06355	34.4
191.07152	14.5
192.04330	2.2
193.05051	5.3
204.07884	3.8
205.08699	19.2
207.06630	4.9
208.07532	1.2
210.05339	3.7
240.06456	1.8
244.64948	0.9
281.08441	1.9
283.06079	4.0
284.10437	1.8
284.30438	1.0
293.08322	7.0
296.10590	6.3
299.12851	10.2
308.10519	4.4
311.06006	6.2
311.09421	2.4
311.12805	8.3
312.36661	0.9
323.13013	7.7
329.14023	28.4
341.13971	50.9
349.91248	1.0
355.47757	1.1
359.15036	100.0
360.15506	1.0
362.93884	1.0
379.73053	0.9
431.09891	4.8
488.99228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05090	0.4
57.03480	0.4
59.01390	9.2
71.01382	0.8
72.99314	13.9
73.02932	0.7
75.00880	0.5
85.40765	0.4
87.00883	28.9
95.01391	0.4
101.02460	0.6
103.00385	7.4
105.01960	2.4
109.02967	6.9
110.99907	0.4
121.02953	0.6
121.59277	0.4
127.35892	0.4
130.99890	2.5
133.02974	0.6
134.03752	0.8
135.04530	2.4
149.00926	100.0
158.03726	0.5
159.04539	2.7
160.05275	2.8
161.02408	0.7
172.05295	10.5
173.06087	4.1
185.06099	2.5
186.06824	1.0
187.04047	3.4
196.05341	0.6
197.06114	2.3
199.04005	2.6
201.05560	3.2
202.06369	2.7
204.04240	0.8
211.03964	0.7
211.54463	0.4
213.05521	3.3
222.13525	0.5
224.04916	0.8
225.05634	0.7
227.03497	2.9
228.04266	1.0
240.04265	1.6
241.05087	10.7
242.05846	0.7
243.06641	6.2
251.03482	0.5
255.06567	0.6
257.15466	1.1
263.07275	0.6
283.13409	43.0
291.06674	0.9
299.16611	0.7
301.14456	12.7
305.08200	0.7
307.09631	0.9
309.14944	3.7
311.12769	0.6
327.16199	4.3
331.98636	0.5
333.07773	0.7
345.17093	30.4
357.07846	2.1
363.08865	0.5
371.14896	5.5
375.08878	6.2
485.12442	25.2
521.33179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
54.82368	0.4
59.01383	2.1
64.74876	0.4
70.07993	0.5
71.01375	0.8
73.02943	0.5
96.95997	0.7
99.99920	0.5
101.02464	0.6
108.02129	0.8
109.02952	1.9
113.02470	0.5
119.05042	0.9
121.02921	1.0
121.06586	0.8
122.03777	1.0
123.04539	1.0
132.02203	0.5
133.02986	4.2
134.03735	3.3
135.04521	6.4
137.02441	0.7
145.02997	0.5
147.04535	1.2
148.05312	22.7
149.06091	13.1
150.03217	1.1
151.04001	0.6
159.03012	0.8
159.04546	1.1
160.01682	0.9
160.05315	21.1
161.02458	13.4
161.06090	25.5
162.03249	7.0
163.04015	10.3
174.06821	0.6
175.04002	2.7
176.59886	0.5
177.05585	7.0
179.03477	2.1
179.07098	1.0
180.04314	5.8
187.03952	2.5
192.04385	1.1
203.03464	0.6
204.04306	10.3
205.05084	34.7
207.02965	2.3
220.38661	0.6
221.04512	3.7
224.03276	2.6
253.08765	0.7
253.73492	0.6
254.04387	4.3
265.05099	1.2
265.08765	1.3
270.08981	0.8
281.08331	2.0
282.09048	5.4
285.11343	26.5
297.11368	14.4
311.09235	1.0
312.60510	0.6
315.12448	54.8
316.12897	0.6
341.10321	3.2
342.90472	0.6
359.11411	100.0
360.11850	0.7
453.10553	5.1
521.16736	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	521.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.3
57.65654	1.4
59.01392	10.2
69.03477	1.8
71.01385	4.0
81.03440	3.2
83.01407	3.9
85.02972	3.4
87.00898	8.5
89.02477	2.7
91.46648	1.4
93.03451	9.0
95.05029	3.8
96.96037	2.1
97.02939	38.6
101.02467	1.6
105.55665	1.7
107.05049	2.5
109.02971	11.0
111.00937	2.5
113.02464	6.5
119.05029	4.0
121.02961	2.9
123.04540	10.8
125.02423	7.5
129.01909	3.5
132.43942	1.9
133.02956	31.1
133.17506	1.9
134.03764	3.3
135.04530	40.2
137.02441	13.8
138.03197	2.8
139.03996	4.0
147.04489	2.8
149.02477	2.7
151.04031	2.1
153.01950	2.8
161.02460	83.4
161.06139	2.6
163.04001	3.0
166.02747	2.1
171.04422	2.2
177.05586	2.7
179.03511	27.6
187.07600	13.9
189.05669	14.5
195.05159	2.9
197.04578	2.0
203.03490	2.8
205.08727	7.5
221.04581	8.5
229.05006	4.0
229.08733	9.8
231.06644	2.4
255.06647	9.0
273.07730	100.0
274.08112	2.5
281.06525	2.0
286.04132	1.9
296.80905	1.8
297.07605	4.0
323.07898	2.8
341.08780	2.8
365.08536	2.5
375.09027	2.0
453.10428	27.3
485.12485	2.5
521.13507	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	521.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21877	0.5
59.01381	1.2
60.99313	20.2
70.80378	0.5
71.48780	0.5
77.03959	0.5
88.98801	100.0
93.03455	0.7
116.24148	0.7
117.03442	4.3
121.02911	1.2
129.96606	0.6
135.04532	2.4
149.02426	0.7
159.04475	0.6
161.02414	3.5
163.04039	2.3
172.05296	2.4
187.07643	1.1
191.03563	0.8
191.07080	0.6
193.01343	0.8
236.74234	0.8
239.07050	0.8
262.19968	0.5
268.03726	1.1
269.04681	0.6
281.04501	0.7
283.06155	21.5
311.05652	36.3
323.05927	0.9
341.06555	4.2
341.14087	1.3
359.15094	3.6
400.44919	0.7
431.09875	32.5
431.15744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09925	0.4
51.09468	0.4
53.49634	0.5
57.24949	0.5
58.57875	0.4
59.01378	11.9
59.06599	0.5
61.98838	1.3
65.00352	0.7
71.01383	5.7
73.02939	1.1
76.64005	0.6
83.01392	1.1
85.02945	4.0
87.00866	2.9
89.02428	4.9
95.01413	0.6
97.02966	1.0
101.02427	6.0
109.02970	3.0
113.02470	4.1
119.03519	1.3
119.04999	0.9
121.02908	1.7
123.04517	0.6
129.01912	1.1
131.60564	0.5
132.02194	1.0
133.02956	32.6
134.03717	4.1
135.04530	24.0
137.02452	0.6
149.00925	1.3
149.06096	3.0
151.00409	0.9
152.00696	0.8
159.47148	0.6
161.02457	100.0
165.01949	3.4
175.04047	1.2
177.05598	2.8
179.03500	10.8
187.07722	0.6
191.96211	0.7
192.40846	0.6
203.03380	3.9
210.01671	1.1
211.02077	0.6
214.49791	0.8
221.04594	0.9
238.10977	0.8
241.04813	0.7
272.16235	0.6
283.05762	2.4
283.13434	0.8
285.04071	1.0
297.07715	0.8
298.08020	4.0
298.13086	1.1
300.06302	2.5
301.06674	1.1
315.08780	6.6
316.09113	9.4
358.15128	23.5
401.07224	0.7
427.04803	0.7
459.94910	0.7
476.19290	0.7
485.12503	0.9
520.18347	41.8
520.26245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33937	0.8
59.49152	0.7
61.98834	100.0
62.46136	0.8
65.04463	0.8
75.26403	0.7
99.09683	0.8
115.71082	0.8
133.03996	0.9
291.65485	0.8
315.66672	1.0
446.59842	0.8
527.45679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.7
56.15831	1.1
57.03450	1.6
59.01384	37.7
59.74327	1.2
59.87802	1.1
60.17797	1.2
61.65471	1.2
61.98831	25.8
64.34955	1.4
69.57163	1.3
71.01382	18.8
73.02952	2.4
74.80190	1.4
75.00864	1.8
79.38690	1.3
83.01414	2.1
85.02965	10.9
87.00887	1.6
89.02444	8.5
101.02427	8.8
102.85638	1.4
113.02449	3.3
117.23036	1.6
119.03503	1.8
119.04981	1.8
133.02924	2.1
134.03749	3.1
137.02451	2.0
152.99605	2.5
167.69298	1.7
169.92627	1.5
176.60573	1.6
178.02693	3.5
211.13315	1.7
227.16597	11.2
327.16431	1.8
327.25381	8.7
339.25357	8.4
345.17020	2.3
349.02005	1.5
357.26508	27.0
519.31732	100.0
536.24469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
56.06058	1.0
57.03432	1.1
59.01382	20.0
66.24713	0.9
71.01376	9.8
73.02946	1.9
75.47113	1.0
80.33901	1.2
83.01398	2.3
85.02957	6.4
89.02444	1.9
95.01348	1.2
97.06599	4.3
101.02448	6.1
113.02472	1.7
115.99918	1.1
133.02946	1.6
135.04474	1.6
136.20583	1.3
161.02460	1.7
166.12050	1.2
227.16441	1.2
241.04948	1.3
241.18120	6.4
327.25537	14.2
328.68378	1.2
339.25433	9.2
357.26538	42.3
519.31824	100.0
529.50409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38849	1.1
54.82639	1.1
55.01875	2.3
57.03439	1.3
59.01382	22.9
68.99831	1.5
71.01382	10.7
72.99289	1.6
73.02948	2.4
75.33321	1.2
78.95904	1.6
83.01411	1.6
85.02968	6.6
92.43633	1.1
93.12455	1.2
95.01347	1.5
101.02454	5.9
105.95976	1.2
113.02442	1.8
119.05019	2.1
135.04510	2.2
147.02998	9.1
152.99576	1.2
159.04527	1.3
187.07672	1.9
327.25278	9.5
339.25394	2.5
341.27032	2.3
345.17517	1.6
357.26575	16.3
371.15195	2.2
432.99078	1.3
433.64230	1.4
489.30856	5.8
501.31808	1.6
519.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29129	0.8
57.03458	1.0
58.66821	0.8
59.01388	33.4
61.04182	0.9
61.98849	0.9
69.03461	3.8
69.93289	0.8
70.18443	0.9
71.01385	9.9
73.02967	1.6
73.96228	0.8
77.41423	0.8
79.29237	0.9
81.03446	1.1
83.01404	1.4
85.02971	4.4
87.00875	1.4
89.02461	6.0
92.10732	2.0
93.07109	4.0
101.02457	8.5
113.02467	5.7
119.05033	5.8
133.02875	0.9
135.04521	4.8
145.02972	2.0
147.02946	0.9
161.04608	1.6
167.10825	3.9
179.14363	4.8
195.13922	13.1
205.12363	10.1
223.13425	100.0
224.13734	1.7
225.82320	0.9
226.80647	1.2
227.16539	12.5
228.04350	1.0
253.09325	14.7
297.24414	1.3
327.25555	12.3
339.25443	5.4
341.13568	1.0
357.26526	91.1
459.22369	9.6
459.28482	1.0
519.20569	1.8
519.31866	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.5
57.03474	1.0
59.01388	21.7
69.03477	3.5
71.01386	6.0
71.05048	0.5
73.02952	0.7
81.03461	0.5
85.02968	3.7
87.00910	0.6
89.02463	4.2
93.03497	0.5
95.01421	0.5
99.00902	0.7
101.02450	6.4
108.05824	0.5
113.02444	3.6
119.03506	1.1
119.05019	2.6
125.71512	0.5
135.04512	2.0
145.02963	2.1
146.03314	0.9
147.03011	2.0
161.04584	2.0
163.03996	0.8
167.10786	4.3
177.12968	0.5
179.10799	2.0
179.14455	3.3
185.06100	0.7
195.13937	12.8
199.07655	0.7
205.12343	10.8
223.13425	100.0
224.13782	0.6
227.16528	2.8
253.09343	14.5
253.11726	0.5
327.25354	3.2
339.25504	0.6
357.26535	24.3
383.98822	0.5
459.22437	12.9
481.90826	0.6
519.20715	1.9
519.32104	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01382	23.2
62.13358	0.3
68.10596	0.3
68.61563	0.4
69.03451	2.5
71.01384	5.2
71.05012	0.6
73.02950	0.8
75.00901	0.3
75.26708	0.3
83.01394	0.4
83.05069	0.4
85.02946	2.1
87.00892	0.4
89.02434	4.4
99.00871	0.3
101.02431	5.6
109.06617	0.5
113.02445	2.2
119.03509	1.4
120.13963	0.3
134.03688	0.3
135.11816	0.4
149.09747	0.6
161.04607	1.9
161.13298	0.4
167.10788	3.5
177.12880	0.5
179.10823	1.3
179.14378	4.6
187.07747	0.5
195.13916	13.4
205.12354	12.4
223.13423	100.0
224.13751	0.6
228.25662	0.4
235.08383	0.5
253.09305	13.1
333.85300	0.4
459.22443	12.2
475.25287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13884	1.4
57.03470	8.6
59.01389	100.0
63.96698	1.5
71.01402	10.2
72.99316	14.7
73.02969	8.3
85.02967	43.7
87.00898	8.8
89.02464	3.3
89.35465	1.7
94.55992	1.5
95.01468	2.2
99.15574	1.7
101.02478	10.8
113.02451	9.1
119.05064	3.4
121.10548	1.8
122.50079	1.8
126.37880	1.9
129.01938	17.7
133.02989	3.2
135.04524	3.8
147.03008	71.3
159.04521	3.5
160.05318	4.2
161.02467	9.8
161.72234	1.9
163.95029	1.9
172.05309	15.6
187.04044	3.1
197.06073	3.0
200.04839	2.1
201.05626	2.7
202.06432	3.5
204.04332	3.3
213.05293	1.8
227.03490	6.4
228.04297	1.9
240.04362	4.1
241.05128	3.3
255.06667	24.9
256.07483	13.3
269.04440	2.0
271.09787	22.9
283.13425	68.1
299.47467	2.0
301.14450	24.3
308.55200	1.8
309.14917	2.4
311.12750	2.0
327.16122	11.4
345.17139	51.3
371.15164	18.0
399.23959	10.4
417.25043	10.8
503.79910	2.1
519.31683	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	519.1877
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.45182	0.2
59.01392	1.1
67.12771	0.2
69.03467	0.3
71.01388	2.6
73.02962	0.4
83.01405	0.4
85.02968	1.5
93.03489	0.9
93.88012	0.3
100.59643	0.2
101.02473	0.5
108.02193	1.2
109.02934	1.0
113.02467	0.5
121.02967	6.5
122.03743	3.9
123.00862	0.3
124.01755	0.3
132.02119	0.4
133.02960	1.0
134.03746	1.1
136.01665	83.2
137.02467	3.2
139.23964	0.2
147.04597	0.3
151.04021	100.0
152.04382	0.3
154.02657	0.3
156.84407	0.3
159.04422	0.6
160.01701	0.5
160.05273	1.3
161.02541	1.7
161.04546	0.6
161.06047	0.3
162.03226	1.7
163.03986	1.5
164.04948	0.3
175.04082	0.4
175.07645	1.5
176.04710	0.3
177.01973	0.4
177.05592	1.7
179.03485	1.1
187.03972	0.3
189.05559	0.3
193.04985	0.3
203.07170	0.3
212.11975	0.3
256.07516	0.3
342.11130	5.2
357.13498	63.5
358.13895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82247	0.4
59.01387	0.7
65.00332	4.0
87.06815	0.5
89.00349	1.0
91.01904	0.5
95.01384	3.0
95.51157	0.5
97.02969	2.8
100.75638	0.5
106.23096	0.5
107.01397	0.6
108.02185	0.7
119.05013	1.0
121.02950	8.1
124.01599	1.7
134.03731	22.2
135.04536	10.7
139.04007	2.3
144.06073	0.5
149.06052	0.9
149.99648	0.9
151.00365	1.7
160.01733	0.8
161.02463	0.8
163.00366	1.1
164.01215	1.7
165.01932	23.9
166.02708	2.0
175.04041	0.6
176.01143	0.8
178.02719	11.1
179.03467	4.5
187.03981	1.0
191.03525	3.0
199.04059	0.9
210.01736	13.4
213.05659	0.6
215.03612	0.5
217.05115	0.8
229.92189	0.5
239.03488	6.1
241.05089	2.7
254.05829	3.7
255.06630	0.9
257.04565	2.9
267.03091	3.6
268.03998	0.5
271.06113	3.0
282.05341	22.9
283.06052	0.9
284.03204	2.8
285.04050	10.8
297.04327	1.0
297.07727	35.2
299.05658	12.3
300.06396	16.3
315.08789	100.0
316.09262	0.7
332.04962	0.5
380.54980	0.5
405.75943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	3.3
64.98316	0.2
65.00324	9.1
83.01385	5.9
89.95164	0.2
90.73746	0.2
93.03448	10.2
95.01393	0.2
107.01390	18.7
108.02215	0.3
109.03003	0.2
119.05019	55.4
119.58756	0.2
121.02938	0.8
123.87855	0.2
125.02449	1.5
127.22032	0.2
131.01396	0.4
133.02928	0.2
134.32961	0.2
135.00890	0.2
136.01620	0.4
137.02440	0.3
145.02950	1.1
151.00375	54.8
152.00694	0.4
161.06064	0.2
164.01122	0.8
165.01935	3.0
169.01448	1.8
175.00345	1.0
177.01933	7.7
185.06068	0.4
187.03986	0.9
191.33073	0.2
193.01427	0.4
227.07162	1.1
253.05113	0.2
271.06137	100.0
272.06461	1.2
295.06104	0.3
304.81201	0.2
313.07434	1.6
475.12732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69721	0.3
58.56523	0.3
59.01382	0.4
63.02404	6.6
65.00330	11.3
65.62209	0.3
80.02722	0.4
83.01395	9.5
83.17194	0.3
84.73593	0.3
91.07377	0.3
92.10056	0.4
93.03455	11.9
99.93232	0.4
107.01396	29.9
108.02214	2.6
114.38400	0.4
119.05022	60.0
120.05412	0.5
121.02982	0.7
123.00854	0.3
125.01631	0.4
125.02429	1.0
136.01637	3.3
145.02975	0.6
151.00378	74.8
152.00607	0.4
162.23830	0.3
164.01143	3.9
165.01918	3.1
169.01445	2.1
177.01941	11.9
185.06119	0.5
196.00113	0.5
210.19119	0.4
227.07162	0.8
229.05045	0.5
253.05040	0.4
271.06134	100.0
272.06494	1.4
396.14325	0.3
475.12527	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.0
72.44033	3.2
75.00896	7.2
82.91294	3.6
83.01414	18.3
85.02950	3.7
87.00920	13.4
88.33490	3.3
93.03456	23.9
96.95993	30.7
99.00916	4.6
108.49190	3.8
109.02956	7.6
111.00889	17.7
113.02467	8.3
115.00381	5.9
117.03478	4.3
119.05016	29.5
121.02955	16.4
123.04508	5.9
125.02441	6.8
132.05774	3.8
133.06593	98.7
135.04562	5.7
137.02417	6.9
139.00380	28.9
145.02980	16.9
147.04564	7.1
149.06139	13.9
157.01474	22.2
159.04541	4.5
161.02464	4.4
161.06110	6.1
165.01894	15.7
168.15213	3.5
171.04610	5.6
172.05391	6.5
173.06085	6.2
177.05537	36.3
185.06181	5.4
187.04080	8.5
187.07675	15.6
189.05545	5.9
197.06183	4.5
215.03511	4.6
215.07074	24.8
217.05095	23.6
221.04568	47.5
240.04008	4.2
240.30629	4.6
243.02991	15.8
259.06265	8.2
261.04123	14.8
283.18570	3.6
303.05145	27.8
321.06189	20.9
364.69525	4.0
372.55026	4.0
383.10007	17.6
465.10400	100.0
519.09015	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82268	0.5
59.01389	4.8
61.98837	100.0
74.92384	0.5
81.53209	0.5
97.41319	0.5
101.93637	0.6
104.99207	0.5
121.02912	0.5
124.01501	0.7
135.64940	0.5
141.88875	0.5
158.70238	0.6
180.09003	0.6
303.60626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54221	0.3
52.01716	0.4
61.98834	100.0
71.67568	0.4
110.12257	0.4
115.48894	0.5
121.68944	0.4
225.80081	0.4
255.20758	0.4
326.09384	0.4
326.14987	0.4
337.56042	0.5
404.50681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82352	0.5
59.01392	3.7
61.98836	100.0
73.02983	0.8
85.75086	0.5
87.00919	0.5
89.02481	0.5
89.35859	0.4
95.02437	0.5
104.21806	0.5
106.06620	0.6
109.02959	1.1
113.02489	0.6
131.90701	0.5
135.04497	1.2
145.02916	0.8
146.07359	0.6
148.31084	0.5
159.04469	0.5
160.04951	0.6
161.02438	0.8
196.17064	0.5
216.40350	0.5
231.09816	0.5
241.05051	1.0
242.05630	0.6
316.96899	0.6
350.60394	0.6
375.08838	0.7
376.09128	0.8
384.52408	0.5
406.14621	0.6
486.12814	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	517.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
75.24030	0.6
76.51952	0.7
82.06887	0.6
89.71624	0.8
92.10147	1.0
112.89836	0.8
151.85728	0.7
189.85748	0.8
190.84865	0.8
194.95389	0.7
249.04839	0.7
272.16406	0.7
278.99930	0.8
314.01904	0.8
517.39099	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	518.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11316	0.4
59.01393	3.3
59.05963	0.3
61.98838	63.8
71.01395	2.1
73.02982	0.5
73.36517	0.3
85.02959	1.4
89.88300	0.3
91.34804	0.3
92.10851	0.8
92.48534	0.3
101.02457	0.6
104.05059	0.7
104.65718	0.3
106.06631	100.0
108.08206	4.6
109.02975	0.5
111.57597	0.4
113.02454	1.8
117.03445	0.6
118.06657	3.1
119.05025	0.5
120.08192	0.8
130.06630	0.7
131.03755	1.3
135.04539	0.6
136.07698	0.4
145.02986	2.8
146.06108	1.8
147.43452	0.3
148.07671	0.5
150.05614	63.3
153.19283	0.4
158.97607	0.5
162.05663	0.4
163.04030	0.4
164.07182	17.3
166.95152	0.4
174.05563	1.8
182.31458	0.4
182.91443	0.4
192.06697	9.4
194.04594	16.4
204.06493	0.5
222.07719	0.7
236.05612	3.9
278.06543	0.9
296.07751	2.5
325.09299	0.7
336.85202	0.4
356.09924	38.4
486.12762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35602	0.4
56.14576	0.4
57.03444	3.9
59.01387	7.9
62.36205	0.5
64.34397	0.4
71.01382	3.5
71.05019	2.7
72.02163	2.5
73.02949	3.3
76.57439	0.5
83.01383	0.7
85.02962	2.3
87.04511	83.7
90.49059	0.5
93.16583	0.5
95.05044	2.5
95.15726	0.4
95.68609	0.4
99.04500	4.0
101.02457	1.2
109.15418	0.5
113.02414	0.8
123.04520	11.9
133.02893	0.7
137.09686	0.8
161.02451	0.6
161.13377	1.0
182.82777	0.5
189.16481	0.7
207.17564	5.1
209.15450	0.8
255.03081	0.5
269.17609	100.0
270.17975	1.7
283.02457	0.7
293.17633	12.4
298.04877	0.7
311.18774	0.6
313.07327	0.8
323.18781	0.8
326.20953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.93910	1.3
61.86088	1.5
69.87433	1.4
83.05044	1.9
100.55332	1.6
102.26860	1.6
117.70624	1.3
134.91116	1.5
207.88109	1.7
343.30005	18.1
375.29456	10.4
432.60999	1.7
442.32571	1.5
540.24573	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	517.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94331	1.6
57.03467	2.9
59.01392	93.2
61.98828	1.8
65.69066	1.5
69.03479	2.2
69.07407	1.7
71.01384	36.0
72.99329	2.3
73.02949	15.9
75.93845	1.6
83.01392	10.2
85.02959	21.1
87.00889	7.6
87.04534	3.6
89.02457	9.7
99.00886	2.9
101.02443	23.7
105.62834	1.7
109.02932	2.5
113.02467	13.5
119.03543	7.4
119.05015	2.6
119.75986	1.8
125.02448	4.5
129.01926	3.2
133.02945	2.3
153.01961	2.1
161.02469	2.2
161.04570	3.8
172.05249	3.7
187.07652	16.4
189.05507	3.3
215.07190	4.2
221.11925	3.8
227.07121	2.1
228.23454	1.9
231.06612	3.5
251.16483	3.5
257.08173	7.9
285.04715	2.1
303.10098	2.3
387.23874	2.7
413.21603	6.6
431.23004	8.6
473.14713	13.8
473.24011	100.0
517.30273	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22329	1.6
59.01383	19.2
60.50010	1.6
71.01408	2.2
75.66626	1.6
82.01939	1.7
82.25523	1.7
83.01492	1.7
85.02917	2.3
85.59746	1.6
93.03446	1.8
95.92085	1.7
96.70602	1.7
113.02452	2.5
125.02389	1.8
133.02963	8.2
137.02460	2.0
137.10411	1.8
142.01503	1.8
161.02441	3.0
165.01961	9.0
174.31030	1.9
217.74361	1.7
241.85699	1.9
255.02994	95.2
269.04535	10.5
269.08298	2.6
281.04303	2.0
283.02548	89.1
283.05786	4.1
297.04016	15.2
298.04868	100.0
313.03705	3.8
313.07278	89.4
327.06674	2.2
443.55899	2.3
517.13739	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	517.1362
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.15199	0.7
59.01387	16.2
65.00334	4.3
71.01402	1.3
73.02951	2.3
75.00883	0.9
79.05592	0.8
87.04508	11.9
93.86947	0.9
94.25026	0.9
97.02934	2.3
101.02451	2.1
109.02954	1.0
113.02412	1.4
123.04532	1.0
125.02446	1.4
132.02153	1.0
133.02986	6.7
134.03748	1.2
161.02528	1.3
165.01927	17.0
167.11104	0.9
171.10190	1.4
199.15099	1.1
201.50964	0.9
211.04021	2.1
227.03580	1.1
253.05049	1.1
254.02162	1.5
255.03015	76.9
268.03656	1.5
269.04553	14.7
269.17603	22.2
281.04468	1.4
282.01752	4.0
283.02530	75.2
283.05789	2.4
293.17783	1.5
296.03271	1.8
297.04132	21.4
298.04871	90.0
311.05655	6.5
312.06339	3.5
313.07236	100.0
314.07913	1.0
327.08728	4.9
355.08438	6.4
383.14227	1.4
513.49976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0991
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
59.01381	3.1
65.00337	0.7
71.01383	0.9
77.03979	3.9
79.01902	3.1
85.04280	0.6
93.03446	3.1
100.66991	0.5
105.03468	0.6
117.03454	18.1
119.05022	1.0
121.02942	3.5
131.04927	0.5
133.02986	0.6
135.04515	2.3
149.02487	0.8
154.18843	0.5
159.04510	3.0
161.02457	9.3
163.00328	1.3
163.03976	2.2
165.01924	3.6
171.04515	1.0
172.15268	0.5
175.00354	1.1
177.01993	0.6
182.03717	2.1
183.04443	2.9
183.08150	1.0
195.08167	0.9
195.61931	0.5
196.05377	0.9
197.06168	1.9
199.04149	0.6
210.06917	1.0
211.07600	1.9
224.04735	3.0
225.05519	1.0
237.05579	1.0
238.06136	0.5
239.07137	3.0
239.21028	0.6
253.05194	1.1
254.05850	0.9
269.04596	8.0
279.06824	0.6
281.04553	14.0
282.05270	3.3
283.06146	84.5
284.06540	0.9
293.04431	4.4
295.06146	12.3
309.04056	0.9
311.05655	100.0
312.05991	1.3
314.04355	3.6
321.04050	1.2
323.05640	17.9
341.06705	23.5
353.06918	2.2
395.07770	2.0
413.08936	7.4
431.09894	3.2
473.10922	30.4
474.11511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.9
61.98842	0.3
65.00321	0.7
67.11701	0.3
69.59130	0.3
71.66588	0.3
73.02950	0.4
77.03948	4.0
79.01871	2.5
84.91148	0.3
93.03448	4.1
105.03457	1.6
107.01387	0.7
108.02193	0.4
109.02970	1.5
111.10789	0.3
117.03456	25.6
119.04991	2.5
121.02952	5.1
123.04473	0.7
125.02461	0.7
131.05055	0.5
133.02942	1.7
135.04521	5.5
137.02403	0.7
145.02934	0.7
147.04533	0.8
148.01627	0.5
149.02391	3.6
159.04543	4.4
161.02432	11.6
163.00363	2.4
163.04039	5.9
165.01930	1.5
173.02467	0.5
175.03960	0.8
177.01910	0.7
179.03531	0.6
182.03787	0.4
183.04527	0.5
185.02417	1.3
185.06038	0.7
187.03958	0.4
191.03517	3.6
193.01419	1.8
195.08124	0.7
196.05357	0.4
197.06062	2.2
199.03865	0.5
203.03517	2.5
209.06184	0.7
211.04054	0.4
211.07687	2.1
213.05528	0.6
215.07253	1.4
224.04834	0.4
225.05550	0.9
227.03387	0.5
237.05597	0.7
238.06433	0.4
239.03625	0.4
239.07207	3.2
241.05096	0.6
251.07259	0.3
253.05058	1.7
254.05945	0.5
255.06624	3.3
265.05020	0.7
267.06656	0.5
268.03833	5.4
269.04529	6.3
281.04526	10.8
282.05325	4.6
283.06137	75.6
293.04611	4.9
295.06219	5.6
309.04056	1.7
311.05655	100.0
312.06104	1.2
314.04364	1.6
323.05612	12.1
325.07031	0.6
335.05859	0.5
341.06674	13.0
353.06754	1.4
413.08859	20.5
443.63239	0.4
473.10956	52.2
474.11426	0.5
517.15216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49347	1.1
59.01387	21.6
60.99310	14.7
71.01395	9.7
73.02958	3.2
75.00897	1.6
81.03459	5.8
83.01405	1.7
85.02963	20.9
88.98805	55.2
89.02479	2.9
92.64982	1.6
95.01410	1.4
96.96027	2.7
97.02943	1.8
99.04514	2.2
101.02444	19.9
109.02951	47.7
111.00893	9.5
113.02461	3.3
123.00876	2.6
123.04522	3.7
124.01670	1.8
125.02435	2.1
127.04064	1.7
129.01938	48.9
131.52007	1.5
145.02870	1.9
150.03226	3.1
151.00368	2.3
151.03969	2.7
152.01167	19.1
153.01947	69.7
159.04539	6.1
165.05568	3.2
177.05563	8.1
194.02205	7.6
195.03003	60.4
240.65649	1.5
254.04292	3.3
255.05116	66.0
263.05664	8.8
297.06119	7.1
323.07706	8.4
383.09683	5.7
427.08865	100.0
516.98303	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20665	1.2
59.01390	100.0
60.01736	1.7
92.10075	2.7
123.26772	1.3
133.03757	1.5
144.21321	1.4
157.03622	1.8
159.01556	1.8
170.23749	1.3
174.99254	25.5
201.02591	37.3
201.04314	2.5
202.02771	11.2
217.00308	52.1
343.03931	6.7
344.03946	6.6
359.01645	6.2
374.99246	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10955	0.3
55.01884	0.7
57.03448	0.5
59.01382	5.9
61.98831	5.3
71.01385	2.2
71.05021	0.3
73.02975	0.6
81.03445	0.5
81.59007	0.3
83.01386	0.5
84.58491	0.3
85.02937	5.2
92.10710	0.5
92.75745	0.3
96.26752	0.4
99.04503	0.7
101.02431	6.6
109.02930	0.5
111.00879	2.3
112.69469	0.4
113.02454	0.8
117.03437	0.6
124.17106	0.3
127.04002	0.5
129.01938	28.1
132.02211	0.8
133.02953	33.5
134.03734	0.9
135.04524	15.1
143.13840	0.3
147.25372	0.4
149.06122	0.6
153.01863	0.4
161.02444	100.0
162.02837	0.4
163.04016	0.5
175.03998	0.4
177.01895	0.6
177.05617	0.8
179.03484	6.1
203.03590	0.7
203.07080	0.5
221.04568	0.7
229.05176	0.4
268.23395	0.4
281.06833	0.5
282.06897	0.4
289.18658	0.4
291.07251	0.7
323.07883	0.4
328.89368	0.4
339.07303	0.4
341.08829	2.4
409.11276	0.7
453.10455	32.3
482.73636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
56.47693	0.8
57.03454	1.8
59.01384	12.5
61.98832	16.6
66.53865	1.1
71.01382	5.4
75.00875	1.6
81.03513	1.3
83.01400	1.7
85.02971	11.7
87.00899	1.0
88.98820	1.7
89.02459	2.0
93.03481	1.1
99.00869	2.0
101.02434	28.3
109.02941	2.1
111.00904	5.0
127.03964	1.2
129.01935	100.0
133.02946	33.7
134.03723	4.1
135.04527	22.3
148.05272	1.1
149.06030	2.1
161.02446	92.0
173.06081	1.0
177.05594	6.0
179.03474	18.1
187.07649	1.7
188.04491	1.0
189.44144	0.9
191.05548	1.2
195.05090	11.0
203.07179	4.8
221.04556	6.5
245.08113	1.0
251.05539	1.6
280.05817	1.5
281.06763	8.9
291.07361	6.8
341.08780	7.6
349.09384	1.6
365.25989	1.4
409.11667	2.0
453.10446	53.7
516.12433	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	515.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	5.7
62.39824	0.8
63.96242	100.0
64.97032	2.0
68.19562	0.8
74.20959	0.8
80.76642	0.9
156.30754	0.9
173.77486	0.9
176.43297	1.1
177.09554	51.0
179.46123	0.8
184.11359	0.9
201.78674	1.0
203.55029	0.8
454.69992	0.9
474.60318	0.9
515.32001	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40318	2.3
59.01378	3.4
61.98851	2.8
68.85838	2.9
100.55482	3.4
100.65147	2.8
181.12341	5.0
197.51334	3.2
223.13429	39.2
247.20770	4.4
291.19681	44.0
309.20789	100.0
455.35355	30.8
497.32672	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	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18585	0.5
58.99471	0.4
59.01391	6.2
61.72096	0.4
71.01375	0.7
73.02930	0.9
84.44946	0.5
85.02955	0.4
87.00900	0.7
96.96034	0.9
98.95614	0.8
101.02459	2.4
109.02937	0.8
113.02488	0.6
121.02953	1.0
133.02985	4.4
134.03746	69.8
135.04520	2.2
137.02444	12.7
139.04025	4.7
144.04492	0.7
149.06097	18.5
149.07228	0.9
150.03278	0.7
153.02039	0.6
161.02455	3.9
163.04041	0.8
165.02042	1.8
178.02727	45.9
179.03532	0.8
187.04164	0.5
189.01976	1.0
193.05080	100.0
195.02972	0.8
249.11449	0.5
280.70135	0.5
317.06851	0.7
411.13019	2.8
471.15350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.79401	0.2
71.01379	6.5
71.05026	0.8
73.02943	0.5
83.01400	0.3
85.02950	1.1
87.04474	0.2
89.02445	0.4
89.06084	1.1
94.45140	0.2
95.01402	0.4
101.02451	0.5
113.02450	1.2
121.02964	2.5
121.04809	0.2
125.02441	0.2
134.03755	1.6
198.49632	0.2
221.08226	2.3
233.10188	0.3
235.31877	0.2
237.07695	0.3
272.28940	0.2
291.08682	0.4
337.28519	0.2
368.65897	0.2
381.07565	0.3
381.11945	8.3
482.17233	0.3
515.28809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82252	1.7
54.92460	1.2
56.16167	1.5
56.25017	1.3
57.58489	1.3
59.01384	43.4
71.01388	10.3
73.02946	3.9
76.09479	1.5
78.11382	1.6
80.96539	1.7
81.03465	7.3
85.02961	2.7
86.86919	1.5
88.35451	1.5
89.02450	2.5
92.10827	3.1
97.16917	1.8
99.04520	2.3
101.02462	3.1
109.02972	2.7
112.88126	1.5
113.02453	6.2
119.05046	2.2
123.04548	3.2
133.02975	11.0
134.03751	3.4
135.04544	8.0
137.02426	2.2
145.02943	2.6
149.02434	1.6
153.01976	3.4
159.04536	1.9
160.01686	3.3
161.02451	18.1
175.04028	2.4
177.01959	3.5
178.02744	2.2
220.03802	2.5
239.03500	2.2
259.07849	2.1
267.15994	8.8
289.04919	4.0
290.05856	6.3
291.06744	6.4
293.04614	3.0
305.04776	1.9
315.06580	6.8
317.04489	2.1
331.06223	9.7
332.06668	2.0
340.07990	3.6
341.04492	2.7
343.06339	11.9
346.04852	2.9
347.05820	2.1
359.05692	29.1
360.06354	7.5
376.07309	1.7
395.09253	2.4
397.11002	2.0
411.08508	3.1
413.10257	2.6
437.10284	2.5
455.11639	9.0
465.09906	14.5
483.10886	37.9
500.86261	1.9
515.13586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
59.01386	18.1
71.01384	2.1
73.02966	0.9
83.01360	1.1
83.05035	1.5
84.15794	0.9
85.02951	10.0
85.54402	1.0
87.00883	4.1
89.10596	0.8
93.03477	4.3
96.96057	3.1
101.02454	1.6
107.05067	1.3
109.02941	12.8
111.04542	3.9
113.02470	4.1
117.03490	1.2
119.05068	1.0
121.02960	1.2
127.04065	1.8
133.02966	7.4
134.03751	6.2
135.04527	66.6
137.02470	1.3
145.02954	3.8
150.24226	1.0
153.01944	11.7
155.03622	1.1
161.02451	18.3
173.04538	2.3
179.02209	1.1
179.03499	45.1
191.05634	100.0
195.02986	5.8
203.03529	1.4
255.05182	2.1
291.84958	1.0
299.49393	0.9
325.09488	1.1
353.08847	42.9
377.53827	1.0
417.08423	1.9
477.10229	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	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.1
71.01384	2.1
73.02966	0.9
83.01360	1.1
83.05035	1.5
84.15794	0.9
85.02951	10.0
85.54402	1.0
87.00883	4.1
89.10596	0.8
93.03477	4.3
96.96057	3.1
101.02454	1.6
107.05067	1.3
109.02941	12.8
111.04542	3.9
113.02470	4.1
117.03490	1.2
119.05068	1.0
121.02960	1.2
127.04065	1.8
133.02966	7.4
134.03751	6.2
135.04527	66.6
137.02470	1.3
145.02954	3.8
150.24226	1.0
153.01944	11.7
155.03622	1.1
161.02451	18.3
173.04538	2.3
179.02209	1.1
179.03499	45.1
191.05634	100.0
195.02986	5.8
203.03529	1.4
255.05182	2.1
291.84958	1.0
299.49393	0.9
325.09488	1.1
353.08847	42.9
377.53827	1.0
417.08423	1.9
477.10229	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	515.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99856	0.8
57.03452	16.1
59.01382	19.8
61.98834	1.5
65.00327	3.7
67.69850	0.8
68.99839	0.9
71.01389	6.6
75.00862	1.3
81.03453	22.8
83.01397	4.5
85.02969	2.1
89.02454	4.5
93.03445	8.3
99.00885	0.8
101.02441	4.0
109.02960	1.2
113.02460	1.7
117.03466	5.0
119.05017	59.0
120.05360	7.9
123.04514	10.3
124.65363	0.8
125.02441	58.4
125.83649	0.9
133.02940	1.9
134.03751	1.1
135.04526	5.2
137.02467	1.4
143.05037	6.6
145.02953	10.5
149.02380	1.3
151.00377	1.5
153.01933	3.7
159.04514	0.9
160.01659	1.0
161.02423	5.2
169.02937	4.3
171.04546	1.4
172.01559	1.1
173.02409	2.0
173.06020	1.8
174.03249	1.7
175.04082	8.0
181.03076	1.1
182.37350	0.9
185.02463	7.1
185.06042	1.6
187.04016	9.3
195.04872	1.2
196.05157	1.4
197.02452	7.2
197.06137	4.0
198.03146	1.6
199.03987	8.3
201.01869	3.2
201.05539	1.5
203.03481	1.7
209.06061	1.1
211.04019	1.1
213.01949	16.3
213.05464	2.1
214.02551	1.8
215.03467	1.6
215.07150	2.1
217.05106	1.3
225.02000	5.3
229.05145	1.6
237.05681	1.3
239.07114	4.1
240.04187	1.1
241.01457	5.6
241.05020	8.0
242.02055	1.4
242.05516	1.1
243.03011	19.8
244.03317	1.0
245.03676	1.0
256.00101	5.6
257.00693	2.1
259.06161	1.7
264.04330	1.2
265.04953	3.8
267.02936	1.9
267.16028	1.6
269.00922	67.4
270.01340	5.2
271.01660	3.9
278.05997	0.9
283.02484	4.1
283.06067	3.8
284.06412	1.4
285.03976	3.4
285.07169	2.0
287.01993	1.2
295.02582	6.0
307.06064	1.8
347.05588	1.2
369.09631	3.7
376.06073	1.9
377.06464	1.4
389.06705	100.0
390.07089	3.6
391.07388	5.4
394.06494	1.1
395.07144	5.3
403.08234	1.1
405.09708	1.3
455.26517	3.7
514.12292	1.7
515.13104	39.6
515.28558	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	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	1.3
59.01389	8.3
71.01384	2.5
89.02428	1.6
101.02446	5.1
102.54938	1.2
113.02458	1.4
181.19507	1.4
201.56041	1.2
243.43770	1.4
253.09515	9.5
265.98376	1.4
277.21759	100.0
300.45566	1.3
354.79083	1.4
363.60880	1.3
363.97278	1.5
468.15906	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	514.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32338	0.2
51.23653	0.2
52.75599	0.2
57.03473	0.2
59.01381	2.8
60.01709	0.2
61.98832	100.0
64.96526	0.2
72.53664	0.2
80.39365	0.2
81.03479	0.2
82.95425	1.5
83.01350	0.2
83.05016	0.8
85.02960	0.9
87.00883	1.2
109.02946	1.1
113.02449	1.3
117.03450	0.4
119.05042	0.3
123.04501	0.4
125.02399	0.3
133.02956	1.5
135.04524	0.5
137.02415	0.3
145.02962	2.8
146.10724	0.2
151.04004	0.2
153.01923	1.2
156.72932	0.3
157.62039	0.3
161.02457	2.2
165.00021	0.2
175.03897	0.3
177.01990	0.5
179.03461	0.4
187.04131	0.2
195.02962	0.5
298.82697	0.2
325.09436	0.3
433.52042	0.2
439.38440	0.2
452.33060	1.0
453.33734	1.6
454.33923	2.7
504.40997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52134	1.2
55.92429	1.1
59.01399	8.0
63.22532	1.3
71.01399	2.7
82.58468	1.3
85.67725	1.5
86.18410	1.3
89.02460	3.0
99.02960	1.8
100.15022	1.4
101.02430	2.2
159.59380	1.6
161.51279	1.6
219.88040	1.5
253.09338	10.1
277.21756	100.0
286.71924	1.7
324.29782	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	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97038	0.3
53.00319	0.4
55.01876	0.6
57.03440	0.6
59.01383	54.4
68.99814	0.4
69.03453	1.3
71.01379	100.0
73.02946	6.1
81.03447	0.5
83.01376	4.6
85.02953	4.3
87.04514	4.1
89.02432	2.2
89.06078	6.9
95.01396	0.8
99.00890	0.8
101.02432	4.9
104.30157	0.4
112.01646	0.4
113.02463	5.7
121.02951	15.8
125.02393	1.7
127.65083	0.4
143.03545	0.7
144.89224	0.3
150.33907	0.3
161.02448	0.7
161.04515	0.5
165.01883	1.3
203.09299	0.4
233.10313	3.9
237.07689	4.1
251.11349	2.6
265.14481	0.6
289.14499	0.6
291.08838	5.2
330.39981	0.4
356.60522	0.4
381.11951	24.6
423.13000	5.8
436.46317	0.4
438.53806	0.4
452.58527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48331	0.4
57.03455	0.6
57.04766	0.6
59.01392	2.5
65.00347	5.1
68.99825	1.1
70.91530	0.4
71.85677	0.4
81.03461	16.5
83.01414	1.2
93.03451	9.1
107.01418	2.5
109.02937	0.9
117.03463	3.8
119.05025	82.5
121.36414	0.5
123.04523	22.9
123.11536	0.6
124.01684	1.1
132.02155	0.6
141.03548	0.6
143.05034	3.2
145.02960	12.5
147.04530	0.9
149.99539	2.3
151.00418	4.1
161.02403	1.1
163.04004	0.6
169.02910	0.8
169.06554	0.6
171.04486	2.7
172.01685	5.0
173.02449	1.0
174.03201	8.4
175.04051	4.9
177.01956	1.1
183.04343	0.8
184.34827	0.6
185.02449	5.1
185.06076	3.1
186.03230	3.4
187.04012	8.2
194.73018	0.6
196.05307	1.0
197.02431	4.7
197.06155	2.8
198.03271	3.2
199.04001	3.7
200.01170	3.0
201.01917	3.3
207.08047	1.0
209.06088	2.9
211.03891	1.1
211.07628	1.3
212.01114	0.7
212.04840	0.9
213.01982	12.8
213.05507	4.6
214.02704	3.4
215.03534	1.3
215.07101	3.0
217.01471	0.6
220.05267	0.7
225.01962	3.0
225.05670	0.9
226.02780	1.1
227.07166	1.2
229.01414	1.0
229.05238	0.7
230.02284	1.0
233.05948	0.9
235.07587	1.1
237.05475	2.9
238.06386	3.5
239.03523	0.8
239.07167	6.0
240.04504	1.2
241.01489	4.5
241.05086	9.8
242.02281	4.6
243.02968	15.7
245.00766	0.7
253.01407	0.7
253.05035	1.0
254.05920	0.8
255.02985	2.1
255.06607	6.7
256.00165	13.1
257.00894	3.5
257.08215	0.9
261.05649	0.9
263.07150	2.8
265.05023	4.3
269.00952	34.2
269.04007	1.4
270.01581	2.8
270.05087	0.8
275.07172	0.8
277.04953	1.1
278.05750	0.9
279.06604	5.3
281.04663	1.2
281.08139	5.6
282.05341	2.6
283.02521	6.3
283.06097	27.0
295.02551	4.9
297.07660	2.8
299.09271	1.3
303.06769	1.3
305.08243	1.2
307.06168	11.6
309.04181	0.6
321.07739	0.8
323.05865	0.8
323.09247	2.4
323.28525	0.6
325.07141	11.4
331.06110	2.4
347.05588	1.3
349.07135	4.4
365.06570	1.2
367.08304	9.8
375.05139	1.4
376.05927	9.4
389.06723	38.7
393.06219	22.6
411.06656	0.7
513.11957	100.0
514.12262	2.3
526.99323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
62.09555	0.6
65.00339	5.1
65.12091	0.7
68.99815	0.8
71.01373	1.0
78.42928	0.8
81.03452	16.2
82.28746	0.8
83.01389	1.2
92.10808	1.9
93.03470	6.4
107.01418	1.4
109.02914	0.9
117.03493	3.4
119.05022	67.9
120.05334	1.3
123.04527	20.9
133.02922	1.0
134.03687	1.5
135.04573	1.2
137.02454	1.5
143.05011	4.2
145.02994	9.7
149.99672	1.1
151.00380	4.7
159.04558	1.8
160.01689	2.0
163.04047	0.9
171.04475	1.4
172.01666	3.9
173.02412	1.1
174.03200	6.1
175.03947	1.9
177.01955	1.1
185.02432	5.2
185.06081	3.3
187.04083	7.7
191.05545	1.1
196.05287	1.2
197.02417	3.3
197.06079	1.3
198.03304	0.9
199.04056	4.9
200.01181	1.1
201.01933	3.6
209.06117	1.1
211.07669	0.9
213.01942	7.2
213.05557	4.4
214.02689	1.5
215.03563	1.8
215.07156	4.0
225.01912	1.8
225.05421	1.1
227.07190	1.5
229.01440	1.5
229.05060	1.3
235.07582	1.2
237.05504	3.1
238.06387	2.0
239.07135	4.4
240.04204	1.3
241.01405	1.9
241.05161	8.8
242.02209	2.0
243.03023	13.3
251.07091	1.0
254.05800	1.3
255.06612	5.0
256.00119	8.8
257.00867	1.0
263.07059	1.0
265.05078	4.1
269.00946	30.3
270.01544	1.4
277.05038	1.3
279.06683	4.7
281.04565	1.5
281.08179	4.2
282.05209	1.9
283.02582	5.6
283.06128	25.1
286.87012	0.9
295.02625	4.6
297.07727	1.3
299.09094	1.5
303.07010	0.8
307.06183	9.5
309.03894	1.1
321.07953	1.2
323.09052	2.2
325.07272	11.6
331.06110	1.4
347.05673	1.5
349.07123	4.0
367.08231	9.2
375.05066	1.6
376.05966	7.2
389.06784	33.8
393.06210	18.7
513.11975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08965	0.6
65.00332	4.7
65.86810	0.8
66.38430	0.6
68.99828	1.4
70.67754	0.7
81.03452	15.2
93.03448	5.3
107.01399	0.8
117.03457	2.8
119.05028	74.9
123.04531	16.2
136.98822	0.8
143.05040	4.7
145.02991	8.7
149.99565	1.4
151.00381	3.6
157.02988	1.0
171.04510	1.2
172.01674	4.3
173.02475	1.1
174.03198	5.2
175.04036	6.7
185.02364	3.9
185.06044	1.5
186.03223	1.6
187.04028	7.5
189.36232	0.8
196.05283	1.3
197.02466	4.1
197.06093	1.1
198.03217	1.5
199.03993	3.8
200.01080	1.7
201.01932	1.6
211.07692	1.8
212.04929	0.9
213.01970	9.3
213.05583	3.5
214.02702	3.6
215.03523	0.8
215.07179	1.9
225.01843	3.1
226.02844	0.8
227.07066	1.7
229.01503	1.6
229.05058	0.9
230.02162	1.9
233.06049	0.9
237.05542	4.2
238.06346	3.5
239.07187	3.5
241.01355	3.6
241.05051	9.0
242.02345	1.4
243.02957	11.8
253.05083	1.0
255.06824	6.0
256.00201	11.8
257.00845	3.0
261.05466	1.0
263.07156	1.0
265.05121	1.4
269.00928	33.9
269.04242	1.0
270.01700	3.0
278.05859	1.0
279.06659	4.4
281.08264	5.3
282.05698	1.5
283.02524	5.4
283.06131	24.7
289.05249	0.9
295.02463	4.2
297.07611	1.3
299.09253	1.5
303.06631	1.1
307.06284	10.1
321.08069	0.9
323.09265	3.2
325.07248	12.2
331.06073	1.5
347.05533	1.7
349.07236	3.3
351.04974	1.3
367.08292	9.8
371.05505	0.9
375.05124	1.7
375.49741	0.8
376.05988	9.2
389.06732	33.6
390.07391	0.9
393.06229	21.4
513.11969	100.0
514.12286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
61.98836	1.4
65.00346	4.0
68.99809	1.5
71.01403	1.1
76.73099	1.0
78.66478	0.9
81.03464	19.4
83.01418	1.5
85.02968	1.2
85.25076	1.0
86.22656	1.1
89.02445	0.9
92.10799	2.4
93.03457	7.6
101.02472	2.3
117.03444	4.5
119.05029	82.2
123.04521	23.1
125.02462	1.9
133.03006	1.3
134.03685	1.6
135.04465	2.0
143.04999	4.4
145.02994	10.3
147.04486	1.2
149.99550	1.3
151.00377	3.7
159.04591	1.0
161.02484	1.3
161.04543	1.0
171.04494	2.0
172.01630	4.6
173.02429	1.2
174.03185	5.9
175.03967	6.2
177.01938	1.7
181.06596	1.0
185.02434	4.7
187.04018	7.6
196.05212	1.2
197.02507	2.1
197.06070	1.6
198.03227	1.9
199.04042	4.1
201.02005	1.6
209.06190	1.2
211.07646	1.5
212.04689	1.2
213.02003	8.0
213.05492	3.8
214.02728	2.1
215.03499	1.5
215.07138	2.1
221.06107	2.2
225.02013	1.7
227.07086	1.7
230.02238	2.1
237.05510	2.3
238.06374	3.9
239.07098	5.4
240.04192	1.5
241.01492	3.6
241.05128	7.0
242.02264	1.5
243.03008	12.2
251.07011	1.3
254.05817	1.9
255.06621	7.0
256.00168	11.5
257.00867	1.7
257.08148	1.1
257.29272	1.2
262.06656	1.3
263.07236	2.1
265.05066	6.3
269.00934	33.5
269.04300	2.1
270.01740	1.8
270.05383	1.0
275.07227	1.1
278.06042	1.4
279.06662	2.4
281.04788	1.6
281.08185	5.7
282.05203	2.2
283.02499	5.6
283.06100	24.0
295.02402	4.4
297.07758	1.7
303.06622	1.1
305.04459	1.4
307.06201	9.9
321.07721	2.1
323.09222	1.4
325.07217	11.6
331.06067	1.3
347.05429	1.6
349.07266	5.1
367.08463	10.3
375.04929	1.4
376.05777	7.9
389.01953	1.9
389.06717	39.6
390.07321	1.2
393.06100	19.4
439.58585	1.4
445.31326	1.1
487.61438	1.3
513.11938	100.0
514.10974	1.1
533.35742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
58.00581	0.8
59.01383	100.0
67.19687	0.6
67.24361	0.6
69.38046	0.7
71.01377	10.9
72.28558	0.6
72.99302	6.1
75.00868	36.3
81.03468	2.8
83.01393	3.0
85.02947	9.3
87.00868	14.4
88.98789	0.8
89.02436	8.6
99.00877	3.9
99.04519	4.5
101.02470	5.6
102.69823	0.6
111.00861	5.4
113.02406	1.9
115.00372	57.0
117.01933	3.6
117.73503	0.6
127.00365	1.4
127.04012	3.9
129.01950	14.7
133.01425	1.2
135.06596	1.3
145.01434	48.1
177.07675	8.8
219.01465	1.3
221.03032	5.0
291.07208	10.6
306.90820	0.7
437.97116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06564	0.2
54.82394	0.3
59.01388	52.2
60.26265	0.3
79.16419	0.3
81.03459	5.6
83.05027	18.0
86.85555	0.3
97.48685	0.3
103.86864	0.3
107.06158	0.4
125.07204	2.2
143.08229	1.0
149.48598	0.3
163.33624	0.3
198.27757	0.3
207.15034	2.1
224.17680	3.1
225.16109	10.6
242.18721	1.2
271.77078	0.3
279.06631	0.4
324.26666	1.3
333.23221	3.1
351.24155	0.5
367.27328	1.5
433.31866	6.2
451.32971	100.0
452.33365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02491	0.5
57.03456	3.0
59.01390	1.5
61.98833	1.4
62.24575	0.5
68.99821	0.7
71.01385	0.8
71.05047	0.7
72.69457	0.6
81.03449	13.1
83.01391	2.6
92.10130	1.4
93.03458	1.0
95.05005	7.7
96.95992	10.1
97.02968	4.2
99.04515	14.1
101.95904	0.7
109.02934	1.1
111.04530	1.3
116.04140	0.7
117.03466	13.0
121.02956	0.8
123.04525	9.5
125.02436	37.4
135.03044	1.2
135.04448	0.8
137.02469	8.9
139.04022	4.2
142.67883	0.7
151.04042	1.0
161.02440	4.4
162.02797	1.2
163.03984	0.9
165.01909	0.7
167.03493	100.0
179.03539	3.3
187.25063	0.7
193.01457	2.4
197.04553	20.5
209.04468	1.5
235.02502	6.6
265.03659	0.7
269.06827	0.8
287.07700	3.3
310.16000	0.8
329.06686	38.0
359.07806	6.0
449.10880	12.1
493.22754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1725
Annotation	Pumiloside
Peak:m/z	Relative Intensity
54.22500	1.0
59.01380	14.1
59.54831	1.1
71.01395	3.1
72.00909	9.9
73.02959	3.1
75.46737	1.1
83.01408	1.6
85.02936	2.1
89.02419	1.3
93.03468	5.1
96.96062	1.4
100.00408	46.2
101.02472	5.4
107.01418	2.0
109.02932	2.5
112.37716	1.3
113.02485	1.3
113.44891	1.4
115.26472	1.2
116.05075	10.6
117.03462	12.7
119.05024	100.0
125.02451	2.3
130.06615	12.5
133.02977	14.1
134.03716	2.5
135.04524	37.2
142.06631	59.0
145.02962	63.0
146.06116	5.7
147.04549	4.9
151.00385	7.8
157.07687	18.5
159.09288	8.8
160.38431	1.3
161.02454	40.0
161.06075	1.5
162.05655	2.2
174.05550	1.9
176.07188	5.6
179.03453	2.4
181.07787	2.2
185.07245	2.2
186.05617	28.8
229.06195	57.3
229.08470	2.2
246.09230	1.3
263.12875	2.8
283.02573	9.4
285.04059	19.9
285.54230	4.8
287.12573	2.0
305.13004	9.4
325.03555	1.6
349.11987	53.1
387.07367	2.9
511.16547	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79640	0.6
54.69909	0.7
54.71089	0.8
59.01378	16.1
60.98046	0.8
63.50577	0.9
66.00600	0.8
67.01910	1.2
71.01384	6.9
81.03439	8.5
85.02955	1.6
87.00884	1.9
89.02435	7.4
91.01945	1.2
92.10205	1.3
95.01389	4.8
95.66649	0.9
96.96017	1.5
101.02447	3.8
107.01378	7.3
108.02195	6.4
109.02950	58.9
111.00893	2.0
113.02462	3.9
119.03509	2.0
121.02969	1.4
123.00874	8.9
123.04523	1.5
125.02422	12.2
133.02975	1.0
135.04507	6.3
137.02420	2.0
149.02483	1.6
150.03252	5.2
150.99168	1.7
151.00374	44.2
152.01163	27.4
153.01941	100.0
161.02480	6.9
163.04092	1.3
165.05559	4.5
167.03535	3.7
179.03456	1.1
179.07158	1.0
194.02246	1.3
195.03000	20.0
195.06709	1.0
207.03009	7.2
255.05083	4.6
274.43344	0.9
281.28738	1.0
299.65826	1.0
301.07172	10.2
309.06451	1.2
313.07175	3.7
314.06494	8.3
315.07278	33.6
323.07755	1.2
331.08304	11.0
349.09299	11.8
369.08234	1.0
455.12009	1.6
463.13239	1.0
493.13284	1.8
511.20215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.5
67.01906	0.8
71.01402	2.3
81.03468	3.4
85.02948	0.9
89.02454	3.7
92.10121	0.7
95.01398	2.4
96.96036	1.4
97.02993	0.7
101.02452	1.2
106.35165	0.6
107.01415	3.0
108.02179	5.7
109.02956	75.9
113.02465	1.3
121.02972	0.8
123.00892	4.3
125.02460	7.0
134.03737	1.2
135.04515	3.3
137.02414	1.1
149.02422	1.1
149.06093	1.3
150.03226	3.3
151.00385	23.0
151.20096	0.6
152.01167	15.6
153.01947	100.0
161.02496	1.1
165.05576	3.6
167.03513	0.8
179.03484	0.7
179.05719	0.7
194.02231	0.6
195.03014	7.3
197.06125	0.6
207.02930	2.9
225.03952	0.6
226.06454	0.8
255.05186	0.9
301.07211	8.9
313.07144	1.2
314.06433	2.8
315.07303	17.3
331.08441	5.3
349.09250	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	511.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51360	1.4
50.67617	1.3
57.03458	1.9
59.01384	30.0
65.00312	2.1
71.01379	3.4
75.00880	1.8
81.03450	2.3
83.01372	2.5
85.02969	2.5
87.00853	2.2
89.02467	3.5
92.10778	2.0
93.03479	8.3
96.96001	29.5
97.02948	2.4
101.02470	2.3
109.02940	3.7
112.08746	1.5
113.02438	2.8
117.03470	2.5
119.04228	1.7
119.05019	48.1
121.02929	1.7
125.02441	9.4
126.39315	1.7
129.01805	1.7
133.02986	3.5
135.04527	10.4
137.02466	2.5
143.05045	48.2
145.02951	14.5
151.00339	3.7
161.02441	7.0
163.00381	3.6
164.01147	2.2
165.01901	1.7
167.05016	3.8
171.04527	7.8
175.03935	2.0
177.01926	1.8
185.06055	2.7
187.03999	16.5
187.07668	3.2
189.07132	2.3
193.06639	2.3
195.04539	3.3
197.05952	2.5
209.06120	7.8
210.06828	3.0
211.04097	3.3
211.07747	3.6
213.05632	10.1
221.06148	2.2
223.07640	3.4
229.05096	7.0
233.06038	9.7
234.06827	20.5
235.04062	2.5
235.07664	40.7
237.05667	17.7
249.05603	8.1
250.06474	2.7
251.07169	10.6
253.04962	1.9
254.05948	9.9
255.03149	18.4
255.06662	64.2
261.05536	7.3
262.06470	3.3
263.07306	2.0
264.04364	7.3
269.04544	3.9
273.07846	3.3
275.07214	7.2
277.05157	6.8
278.05856	25.9
279.06653	100.0
281.04684	8.7
291.06671	7.1
301.05527	2.5
302.05823	2.1
303.06641	10.9
304.03940	2.6
305.04495	7.5
317.04596	2.2
319.06134	6.9
321.07742	11.5
323.05530	11.7
331.06305	2.7
347.05594	15.2
365.06995	3.5
373.07327	2.4
383.09317	4.1
391.04715	20.9
399.12482	2.9
404.05496	3.2
423.12515	2.0
425.10541	13.3
439.12027	2.2
451.32944	9.3
467.11377	60.5
493.09094	2.5
511.10428	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91574	1.3
59.01395	8.4
62.56213	1.7
65.00341	9.3
68.99825	3.4
69.63586	1.5
73.45699	1.5
92.14808	1.6
93.03471	6.6
117.03468	7.1
119.05028	100.0
133.02963	2.9
135.04520	2.1
138.99258	1.6
143.04019	2.9
143.05048	64.9
145.02986	22.0
149.02531	2.6
164.47913	1.6
165.07039	2.3
167.05016	6.5
171.04530	10.5
181.06590	8.6
183.04509	1.8
185.06131	6.5
187.04008	21.6
187.07668	2.9
193.06621	2.8
195.04549	2.6
197.06030	2.3
207.08286	2.7
209.06104	18.3
211.04175	14.3
211.07658	10.1
212.04790	2.6
213.05591	11.7
221.06059	2.2
223.07680	4.2
225.05571	11.1
227.07159	8.5
229.05025	3.6
233.06174	7.7
234.06828	3.2
235.07611	9.9
236.04755	3.5
237.05563	22.1
237.77092	1.9
239.03479	3.3
247.07721	2.6
249.05542	9.9
251.07234	15.0
253.05066	9.5
254.05862	10.9
255.03056	22.4
255.06641	89.4
259.07703	2.1
261.05530	4.3
262.06491	3.1
263.03461	1.8
263.07083	1.8
264.04395	3.7
265.05017	3.1
265.66238	2.3
273.05603	2.2
275.07178	7.6
277.05060	10.6
277.08472	2.2
278.06070	13.1
279.06644	67.7
281.04608	23.7
291.06735	8.8
293.04330	1.7
295.06039	6.6
301.05234	2.7
303.06628	10.7
303.09686	1.9
304.04144	2.0
305.04660	12.1
317.04498	2.6
319.06210	7.2
321.07758	11.7
323.05682	27.4
331.06119	2.3
345.04150	2.2
347.05670	23.0
361.07401	2.6
365.06589	4.1
381.11230	2.4
383.09460	3.7
391.04712	19.8
397.10800	2.5
404.05389	10.6
405.06403	3.4
423.12668	2.5
425.10367	13.4
449.10193	3.1
467.11407	57.3
493.09048	3.0
511.10388	42.2
512.11115	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47727	0.3
53.83915	0.3
54.20558	0.3
59.01366	0.4
59.87775	0.4
61.98830	5.0
73.21291	0.4
74.96001	0.4
79.01910	0.4
83.01392	0.4
92.10878	0.8
93.03439	0.7
96.49003	0.3
97.02990	0.5
98.04246	0.3
104.94292	0.4
105.03454	0.5
107.01418	0.6
109.02962	3.0
113.90263	0.4
119.05004	1.8
121.02955	0.9
124.91957	0.4
125.02418	1.7
133.02945	16.9
134.03757	0.5
135.04532	1.8
137.02477	0.5
146.21982	0.4
147.04535	2.1
147.17558	0.5
149.02423	1.7
151.04050	0.5
161.02443	2.8
163.00368	2.3
163.04042	4.6
165.01964	3.1
173.02371	0.5
175.04013	5.2
177.02007	0.6
191.03520	2.5
193.01430	3.0
198.03261	0.5
199.03990	2.6
201.01953	1.8
203.03639	0.5
213.05577	1.7
217.57854	0.5
225.05563	0.7
227.03441	0.6
227.07275	0.5
229.05025	0.5
240.04337	1.5
241.05048	0.6
253.04948	0.9
255.03026	1.0
255.06741	0.9
256.03818	0.4
257.04581	0.8
267.02954	0.5
269.04510	0.9
284.03226	12.4
285.04065	8.8
297.04077	18.4
298.01584	0.8
298.04840	12.6
299.05624	24.3
309.03888	0.7
311.05753	3.1
325.03592	0.5
327.05142	100.0
328.05426	1.6
333.92212	0.4
339.05145	3.4
357.06189	23.0
369.06268	2.3
393.06003	0.5
447.09384	58.7
448.09827	0.6
450.39151	0.4
502.80478	0.4
508.28714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2887
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
57.46540	0.3
68.58545	0.4
71.75157	0.4
74.95724	0.3
78.95900	22.7
96.96980	2.0
100.48541	0.4
150.98021	0.5
152.99591	32.8
168.45956	0.5
171.00630	2.3
227.03242	3.7
281.24878	100.0
282.25311	2.0
347.05646	0.5
356.15607	0.5
409.73358	0.4
509.28909	47.6
510.28845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62799	0.3
58.27098	0.3
67.01885	0.7
70.01829	0.3
71.01414	0.4
74.78468	0.3
83.01411	1.7
87.00893	0.6
95.01385	5.1
108.02197	0.8
109.02921	3.1
110.00085	3.0
111.00886	26.6
113.02438	0.7
115.94568	0.4
121.02940	1.6
122.03776	1.8
123.00890	6.0
124.01685	0.8
125.02419	3.6
132.02170	0.5
133.02960	4.9
134.03752	0.9
135.04544	2.9
136.01691	0.5
137.02396	0.8
138.03207	3.1
139.00371	16.9
139.04091	1.5
140.01164	25.3
141.01935	2.4
145.02959	0.9
147.04541	1.9
149.02423	3.5
150.03259	2.7
151.00323	0.9
153.01941	13.9
154.02701	1.7
155.02267	0.4
155.03505	10.4
156.29553	0.5
158.03740	0.5
159.04527	4.1
161.02440	2.2
161.06013	0.5
163.00348	0.4
164.04846	0.7
165.05563	0.4
171.04494	0.7
173.06073	1.7
174.03230	0.5
175.00427	0.5
175.04007	3.9
177.05499	0.6
183.04546	4.5
185.06030	0.9
187.03976	5.7
189.01961	0.4
189.05667	0.8
199.04013	2.2
201.01884	0.4
201.05609	10.2
202.02765	0.5
203.03523	3.5
204.04276	0.4
205.05070	10.9
209.04388	0.4
211.04024	2.5
212.04686	0.4
214.02698	0.9
215.03354	0.4
217.05046	4.0
227.03490	10.5
228.04196	1.6
229.05074	10.4
231.03008	0.6
243.03052	0.5
243.06660	1.7
244.03737	2.5
245.04564	14.5
255.03003	8.8
256.03903	0.7
259.06128	0.9
260.06976	2.0
271.06155	2.7
273.04086	9.4
275.09140	0.6
288.06424	72.8
289.06918	0.7
289.79388	0.4
303.08771	100.0
304.09140	0.7
314.04507	1.5
317.08844	1.9
321.57196	0.4
329.06622	3.8
465.14362	3.0
509.12817	2.0
509.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97001	4.5
59.01381	34.7
61.98845	4.4
71.01386	8.3
85.02952	6.3
89.02470	4.8
92.10689	6.8
101.02455	5.2
109.02943	9.6
111.00928	11.5
113.83571	5.0
117.03466	6.8
125.02449	20.6
133.02943	7.4
135.04515	9.9
139.00383	11.9
140.01163	27.9
153.01889	10.6
161.02458	21.0
175.03929	6.5
185.49767	5.7
229.05055	12.0
245.04604	10.2
288.06418	61.9
303.08804	100.0
431.72205	5.6
509.29776	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	509.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
64.34461	0.5
67.01926	0.5
74.22455	0.4
78.22404	0.4
83.01386	0.6
87.00906	0.7
92.10036	0.9
95.01393	5.3
109.02974	2.3
110.00105	2.6
111.00893	19.4
113.02467	0.5
121.02975	1.1
123.00877	7.6
125.02440	4.8
133.02948	5.2
134.03731	2.3
135.04523	2.3
138.99316	0.6
139.00381	19.4
140.01164	35.8
141.01952	2.0
145.02948	2.4
149.02484	1.1
150.03194	0.5
151.00401	0.8
153.01944	17.4
155.03520	10.4
157.06575	0.5
157.33145	0.5
159.04514	3.3
161.02484	4.4
163.00356	0.6
163.03931	0.7
173.06116	0.9
174.03233	0.8
175.03986	5.7
177.05603	0.8
179.03525	0.9
183.04538	4.1
185.06119	0.8
187.03993	5.1
189.01987	0.5
199.04106	1.0
200.04793	0.6
201.05602	8.4
203.03532	5.0
205.05074	7.9
211.04039	3.5
214.02769	0.9
217.05060	3.3
226.02672	0.6
227.03539	13.0
228.04381	0.7
229.05072	10.1
230.02110	0.5
231.03038	1.0
243.02998	1.0
243.06697	0.7
244.03729	2.1
245.04581	10.9
255.02998	10.1
256.03912	1.0
260.06870	0.9
271.06116	0.8
273.04068	8.2
288.06421	86.3
289.06760	0.7
303.08771	100.0
304.09146	1.0
429.21292	0.5
465.14221	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	509.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.20792	0.6
59.01379	8.5
61.98843	0.6
63.15051	0.5
66.60442	0.6
71.01405	3.3
72.97536	1.6
73.02914	1.9
82.19592	0.7
83.01380	0.9
85.02937	5.9
87.00868	22.8
89.02453	1.2
95.01421	0.6
96.96009	11.0
101.02435	1.4
102.83097	0.7
109.02969	0.7
113.02451	14.1
119.05037	4.4
121.02170	0.6
121.02941	6.2
123.04544	1.6
133.02962	25.4
134.03734	0.8
135.04527	15.7
137.02451	3.0
144.31090	0.7
159.04480	1.0
161.02448	100.0
163.04013	4.3
177.05508	0.8
179.03514	12.4
196.09262	0.7
206.45091	0.7
217.04749	0.6
226.33580	0.6
243.06589	6.8
323.07794	15.2
341.08749	5.0
411.09332	19.5
437.10992	2.8
455.12018	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50995	0.1
59.01385	1.2
61.98846	1.2
71.01353	0.1
73.02945	0.1
78.95919	0.2
79.95731	1.8
83.01369	0.1
85.02959	0.1
87.00874	0.2
89.02448	0.2
95.01397	0.1
96.96009	100.0
97.95985	0.1
101.02423	0.1
109.02962	1.0
125.02449	0.2
129.01912	0.2
135.04514	0.2
152.01147	0.7
153.01945	2.2
161.02457	0.3
179.03505	0.2
195.03008	3.8
255.05124	4.4
256.05371	0.4
259.06122	0.1
287.05676	0.2
292.91965	0.1
315.07266	0.3
411.09399	0.2
469.67020	0.1
479.21262	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	508.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55590	0.4
57.03451	0.4
58.82740	0.4
59.01378	13.8
59.01655	0.7
60.01714	0.4
61.98832	100.0
67.56735	0.4
67.67754	0.4
71.01381	2.6
73.02968	0.7
78.25740	0.3
78.95035	0.4
89.02447	0.9
94.02966	0.5
96.95998	3.8
101.02438	0.8
108.02203	0.5
108.10079	0.4
109.02950	10.3
111.00877	0.7
113.02438	0.8
123.00900	0.7
123.04533	0.7
124.01623	0.4
137.02428	0.5
149.09763	0.7
151.04008	0.8
152.01137	9.4
153.01941	20.7
153.09122	0.4
161.02428	0.9
165.01839	0.4
166.96745	0.4
167.03477	0.9
167.10733	0.4
182.04596	0.5
182.65573	0.4
195.02997	48.1
225.03996	0.6
240.25221	0.4
241.18791	0.4
255.05121	71.0
291.68237	0.4
315.07275	17.5
398.10162	0.4
501.46793	0.4
517.04797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25859	1.8
59.01399	4.1
60.80331	2.3
75.11263	2.4
75.74008	2.1
78.27132	2.3
78.95911	16.7
85.80414	2.1
87.00471	2.2
89.93805	2.4
99.64626	2.9
112.55756	2.4
119.22347	2.1
128.10335	2.3
133.02969	24.7
134.03748	5.1
135.04544	21.1
137.02515	3.0
141.50229	2.9
148.07199	2.6
152.99594	29.3
161.01109	4.3
161.02448	100.0
177.39966	2.4
179.03506	4.2
196.89474	3.3
198.42928	3.0
226.23604	2.3
271.22791	7.8
279.23315	42.1
347.26062	8.9
352.00626	2.4
415.25003	35.8
433.25931	8.9
507.29517	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
66.03075	0.4
71.74351	0.4
78.95899	12.9
83.13609	0.4
96.05533	0.4
96.96957	0.6
99.45346	0.4
100.69224	0.4
152.98358	0.6
152.99591	19.4
153.00778	0.7
171.00694	0.9
172.18742	0.4
177.97670	0.5
178.32838	0.5
227.03311	1.9
245.04295	1.7
279.23318	100.0
279.51160	0.5
280.23654	2.1
405.74930	0.5
507.27362	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09945	0.4
57.68551	0.5
59.01402	0.5
61.28183	0.4
64.60467	0.5
66.08826	0.4
78.30434	0.5
78.95904	25.3
82.41759	0.5
92.10831	2.2
96.96958	2.0
103.33875	0.5
109.97416	0.6
110.59630	0.5
121.61057	0.5
132.91130	0.5
142.21468	0.5
152.99597	36.9
161.02419	2.6
168.96342	0.6
171.00618	1.1
196.89708	0.6
227.03282	3.6
245.04312	0.9
279.23318	100.0
280.23624	2.1
354.62735	0.5
364.49152	0.5
385.70798	0.6
507.27347	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17498	0.3
51.44258	0.3
55.01891	0.7
57.03459	0.6
59.01387	25.2
60.99334	0.4
69.03472	0.3
69.09661	0.4
70.22045	0.3
71.01386	10.5
72.99324	0.6
73.02957	3.3
75.00871	0.7
83.01401	1.5
85.02961	4.9
87.00883	11.0
87.01377	0.6
88.98819	0.4
89.02449	5.4
96.96017	0.5
99.00887	1.7
101.02435	8.0
109.02837	0.3
112.57390	0.3
113.02457	4.8
119.03526	0.8
131.03529	0.6
133.02979	1.6
134.03760	0.6
135.02957	0.4
135.04504	1.6
143.03572	0.5
149.04552	0.5
156.36504	0.4
159.02986	0.5
161.02448	1.4
161.04553	4.9
167.14413	0.5
178.02759	0.4
178.60530	0.3
183.13884	8.2
187.07739	0.4
193.12346	2.1
193.74681	0.4
211.13423	100.0
212.13968	0.6
232.02000	0.5
253.09286	9.0
257.11682	0.4
291.67923	0.4
299.22379	0.6
309.14807	0.4
315.18173	7.1
345.16736	0.5
345.23013	3.7
387.33621	0.4
447.22351	9.5
506.13501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.5
57.03456	4.3
58.00599	1.9
59.01385	99.2
69.03469	2.4
71.01383	61.4
71.05050	0.5
72.99313	2.7
73.02945	16.0
75.00891	1.0
81.03455	1.0
83.01389	8.1
85.02949	26.4
87.00867	8.7
89.02442	36.8
95.01392	3.4
97.02932	2.5
99.00874	8.0
101.02443	35.4
111.00866	4.1
113.01707	0.8
113.02459	18.8
115.04021	1.1
119.03504	2.9
125.02431	5.2
128.70280	0.4
129.01955	0.9
131.03510	18.0
133.02957	1.0
135.04572	0.5
143.03493	2.9
149.04576	8.3
159.02994	2.4
161.02425	1.9
161.04562	11.4
191.05679	3.4
211.13634	0.7
215.05664	2.3
219.14091	0.5
233.06647	2.3
259.19318	0.5
267.55032	0.4
267.58780	0.5
275.07739	0.6
293.08749	2.0
315.18213	14.5
336.63437	0.4
341.76712	0.5
371.14981	0.9
403.19794	3.7
421.20532	0.7
447.22427	100.0
448.22571	0.5
494.77365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38239	1.1
56.00999	1.6
57.03445	1.6
59.01382	47.1
70.14879	1.4
71.01386	18.8
72.99310	6.0
73.02953	7.6
75.00867	56.0
78.95911	2.3
80.74162	1.4
83.01397	2.4
85.02943	13.0
87.00853	21.8
89.02448	8.7
96.96011	2.6
101.02441	8.3
109.02969	6.0
113.02480	2.7
117.01929	6.6
133.02936	8.6
134.03625	1.9
135.03003	100.0
135.04504	4.2
145.02928	2.4
150.51184	1.8
153.02025	2.3
161.02454	11.2
164.80351	1.6
172.05307	13.9
173.06047	2.1
183.04570	1.9
185.06097	1.5
187.03975	2.7
195.05095	9.5
197.06099	3.7
199.04007	8.4
200.04767	6.5
204.04083	1.7
211.03799	1.6
213.18700	2.7
226.50943	1.5
227.03542	39.0
228.04326	12.7
241.18111	2.6
246.05211	1.9
257.15347	2.1
259.19168	41.9
283.13385	53.6
283.16248	3.3
301.14429	11.6
309.15128	14.4
311.12888	7.8
325.14511	2.7
327.15994	8.0
329.13992	3.0
345.17084	9.3
351.63120	1.6
353.13965	11.4
371.15042	91.5
403.23474	10.6
421.24506	38.4
463.25552	86.7
507.20667	1.8
507.28012	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	507.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96445	29.8
59.01389	85.1
62.72356	31.1
64.96938	33.2
65.62621	33.0
70.35046	38.3
71.19712	34.4
73.05431	31.6
92.10101	100.0
96.96068	33.7
110.77785	35.1
116.17800	35.7
132.33736	33.5
133.02950	45.6
147.90857	37.2
161.02505	57.4
169.20354	32.6
507.16599	58.4
507.28220	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
71.01391	2.9
71.82797	0.4
85.02934	0.8
89.02442	2.1
95.03761	2.1
96.08200	0.7
101.02437	0.6
101.86137	0.5
104.05051	0.5
104.23205	0.5
106.06615	2.7
107.05059	0.8
113.02442	2.5
122.06120	3.1
124.07672	11.2
126.07452	0.6
132.04549	38.4
133.02991	4.2
133.05334	24.7
134.06107	8.8
135.04529	4.3
145.02936	0.8
148.04057	0.7
150.05630	3.1
160.43439	0.5
161.02440	14.9
165.04317	20.4
174.94508	0.5
176.03511	2.2
176.07172	2.5
177.04321	4.1
177.05606	0.6
178.05063	1.1
179.03516	3.2
184.07684	1.1
186.09271	3.1
187.08766	0.7
198.09236	0.6
203.03481	1.2
209.03317	7.1
212.10750	0.9
213.06732	2.0
214.12405	5.9
215.11913	8.7
221.04597	0.9
225.06554	0.6
227.08220	0.9
229.09822	6.4
239.08058	0.8
240.10316	3.2
241.09789	4.5
245.96429	0.5
255.11386	2.0
257.12964	26.7
257.15610	1.1
273.08572	0.6
281.06754	0.7
283.10828	13.5
301.11996	15.7
317.39349	0.6
327.10077	2.3
341.08771	4.3
345.10962	100.0
346.11191	1.1
387.11874	0.6
391.12012	0.6
439.12375	2.7
507.16226	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	507.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17760	0.3
59.01388	6.3
69.62957	0.3
71.01389	1.8
73.02918	0.3
82.75558	0.3
85.02949	0.4
86.75616	0.4
89.02442	0.6
95.01398	0.3
95.03786	1.5
97.01690	0.4
101.02443	0.7
104.05031	0.4
106.06649	2.6
107.05016	0.4
107.87202	0.3
107.88012	0.3
112.04111	0.3
113.02459	0.6
122.06114	3.1
124.07677	9.7
132.04549	32.3
133.02986	7.8
133.05324	26.8
134.06113	5.9
135.04509	5.3
146.90619	0.3
148.04024	1.3
150.05592	1.7
154.58916	0.3
161.02448	31.4
165.04312	15.9
176.03503	1.5
176.07193	1.3
177.04288	4.5
177.05595	0.6
178.05118	1.7
179.03481	5.1
186.09262	3.9
198.09256	0.8
203.03485	2.6
209.03314	5.3
212.10805	0.4
213.06635	2.4
214.12395	5.3
215.11900	7.4
221.04620	0.8
226.07512	0.4
227.08371	0.5
229.09785	4.0
229.70503	0.4
240.10603	3.0
241.09871	3.0
255.11374	1.3
257.12970	25.1
283.10898	12.2
301.11990	13.3
315.47220	0.4
327.09998	0.8
341.08783	8.4
345.10934	100.0
346.11215	1.4
401.94000	0.4
439.12500	7.2
507.16284	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	506.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73382	1.7
61.98834	100.0
78.78002	1.4
79.76661	1.4
83.14817	1.5
84.36202	1.5
187.66945	1.9
292.79230	1.9
364.22964	2.2
420.18631	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	507.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09639	0.6
51.93552	0.8
57.88505	0.7
59.01381	23.6
59.01657	1.2
62.64703	0.7
71.01373	9.4
71.01654	0.6
73.02617	0.8
73.02942	7.0
83.01402	2.8
85.02974	4.1
87.00864	5.8
89.02420	5.5
95.01405	0.7
97.02940	0.8
101.02444	8.7
109.02969	3.5
113.02445	8.5
117.03471	3.8
119.05032	4.2
121.02946	1.1
132.04562	3.3
133.02951	33.1
133.05309	1.6
134.03751	3.3
134.51073	0.8
135.04517	43.3
137.02492	1.5
145.02956	15.7
149.02443	0.8
149.04813	0.7
149.06078	7.4
151.00354	1.0
161.02446	100.0
163.04010	5.8
165.02045	1.1
175.04012	3.3
177.05583	14.0
179.03496	48.9
180.03853	1.0
203.03508	10.2
221.04604	19.5
221.06638	1.0
241.09727	1.5
251.05507	8.3
257.12967	1.4
281.06726	23.2
283.10745	1.2
284.03296	3.4
285.04132	3.7
295.94568	0.9
296.39896	0.9
297.04065	6.4
298.04770	3.3
299.05655	7.9
301.12057	1.0
323.07910	1.1
327.05164	34.4
327.09052	1.6
339.05222	1.5
341.08817	54.5
345.10919	5.1
357.06204	6.7
395.09778	3.7
439.12546	13.1
442.33551	1.0
447.09421	16.3
481.90109	0.9
507.16278	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2579
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.11551	0.7
54.43926	0.7
59.01381	3.1
65.30871	0.7
78.95907	35.4
87.69912	0.8
96.96988	3.3
152.98349	1.5
152.99603	46.2
171.00719	3.1
227.03267	5.6
237.04405	0.8
241.77550	0.9
245.04277	1.1
255.88058	1.0
274.84949	1.0
277.21759	100.0
278.22003	1.2
505.25830	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36435	0.3
57.40165	0.3
58.00579	0.4
59.01385	8.0
67.39158	0.3
71.01381	3.3
79.82765	0.4
83.01416	0.4
84.82628	0.3
85.02974	1.5
87.00945	0.4
89.02441	3.8
92.10762	0.5
92.66267	0.4
96.04533	0.7
101.02448	2.3
105.03486	0.4
109.02974	2.2
113.02455	2.2
117.03447	0.4
119.03499	1.8
120.38245	0.3
123.04554	0.6
125.02398	0.9
132.02167	0.5
133.02951	33.3
135.04517	7.7
137.02417	3.2
138.02818	0.6
151.03972	0.6
153.01924	0.8
159.35808	0.4
161.02449	100.0
162.02803	0.4
179.03516	2.9
182.08244	0.4
241.05069	4.7
242.05476	7.3
243.06265	1.7
257.08228	3.9
258.08493	4.9
344.13541	15.1
506.16675	16.2
515.24878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32561	1.5
57.03468	3.6
58.00602	1.5
59.01387	60.6
69.03461	2.6
71.01382	22.8
73.02963	5.7
77.49274	1.4
81.03510	1.6
83.01406	3.6
85.02960	12.9
85.16964	1.5
87.00904	3.3
87.71539	1.3
87.90727	1.5
89.02462	7.2
92.10821	3.1
97.06581	5.4
99.00904	3.3
101.02451	10.7
111.08187	2.5
113.02448	3.3
113.09791	2.1
119.05074	10.3
123.04522	2.3
125.02426	2.0
135.04552	1.8
151.00296	1.6
161.02446	2.6
165.12840	3.0
167.03477	2.0
173.95360	1.4
181.12340	3.6
191.10759	3.1
209.11880	51.0
238.16666	1.8
239.16444	1.9
253.09279	7.4
257.17651	45.1
269.17810	2.4
278.55331	3.3
332.67496	1.5
389.06226	1.8
401.21732	17.3
419.22949	49.9
445.21155	6.3
461.24005	100.0
505.26675	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	505.157
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
56.17826	0.7
59.01382	19.6
59.01654	1.1
71.01403	1.2
73.02937	3.6
88.98793	1.1
93.21338	0.8
96.33160	0.8
96.96043	1.7
101.02446	1.5
102.93517	0.9
107.05049	0.8
108.93193	0.9
109.02942	7.1
109.06585	3.9
113.02508	0.8
119.05016	5.5
121.02931	9.7
122.03735	1.3
123.04502	0.8
125.02436	3.3
133.03044	1.0
135.04472	8.3
137.02448	1.8
137.05096	1.3
137.06094	37.5
151.04053	1.2
161.02431	4.9
163.04016	1.8
177.01862	2.0
178.02492	0.8
179.03546	1.8
181.05074	100.0
189.01956	1.6
223.06128	1.1
275.21106	0.8
285.03952	1.0
289.07410	1.1
343.10358	35.7
520.56781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	4.1
57.03456	1.7
58.00610	1.3
59.01383	100.0
69.03456	1.3
71.01380	53.6
72.99319	1.5
73.02942	92.3
75.00883	1.3
78.95892	7.1
81.03483	0.8
83.01385	23.9
83.05012	0.8
85.02937	7.4
87.00878	1.5
89.02440	11.3
89.02855	0.7
97.02965	1.3
99.00893	3.2
101.02435	57.6
111.00817	0.7
113.02458	12.0
117.25553	0.7
119.03510	3.0
119.05043	3.6
121.37086	0.8
125.02438	3.2
125.98667	0.8
129.01857	0.8
131.03496	4.6
135.97411	0.7
143.03510	3.3
149.04599	1.2
152.99588	8.3
161.04538	10.9
195.05165	1.1
209.15474	1.6
239.16547	10.4
257.17618	1.3
283.13358	1.1
342.95486	0.8
419.22928	3.9
461.24005	52.7
462.23984	0.8
505.22134	1.5
505.33841	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	505.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69945	0.2
55.95877	0.2
57.03453	0.3
58.18295	0.2
59.01381	2.1
61.85944	0.3
62.16382	0.2
65.00319	0.3
65.03967	1.3
67.01886	0.4
67.79922	0.2
69.03463	0.5
71.01379	0.4
73.02961	0.2
77.11811	0.2
79.55594	0.3
81.03461	0.2
82.29550	0.2
83.01380	5.8
83.01834	0.4
84.01725	0.3
85.88021	0.3
93.03443	1.8
95.01376	0.4
97.02947	0.4
98.03737	0.3
101.02451	0.3
107.01379	0.4
107.05018	4.9
109.02937	4.2
109.66148	0.3
117.03473	0.5
119.04987	3.4
120.05359	0.6
121.02988	0.9
123.04529	0.4
125.02449	3.6
137.02441	36.9
138.03223	16.5
140.49025	0.3
141.07098	0.4
143.08691	0.6
148.01633	0.3
151.00342	1.0
151.04018	9.2
153.07095	0.6
153.10158	0.3
155.05026	0.4
156.05806	1.2
161.02432	0.4
166.02727	11.5
167.08646	1.8
169.06596	6.6
171.08168	1.8
183.08214	0.3
193.06569	1.1
195.08159	9.8
197.06133	0.6
211.07642	4.9
237.05559	3.0
238.06407	0.3
239.07162	23.8
257.08215	100.0
257.17593	1.7
258.08545	1.6
265.25308	0.3
277.54501	0.6
278.54749	1.3
284.02783	0.3
309.94809	0.3
348.96948	0.3
368.96695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66285	0.3
56.68993	0.3
59.01387	5.1
63.40294	0.3
71.01382	0.6
72.64514	0.3
80.31087	0.3
82.59387	0.3
83.01377	0.6
93.03468	0.4
96.96018	0.8
101.02469	0.4
102.17682	0.4
109.02965	2.3
113.02467	0.4
123.04549	0.6
123.12540	0.3
125.02421	2.9
125.18799	0.4
133.02968	0.6
135.04428	0.7
137.02451	5.8
151.03996	0.7
161.02489	2.5
172.05322	2.1
180.05795	1.7
185.06093	2.2
197.06111	4.0
199.04041	2.9
213.05624	3.7
224.04834	8.2
225.05676	1.4
241.05087	100.0
241.31938	0.4
242.05859	26.2
243.06384	0.5
257.08218	67.7
258.08456	0.8
278.06137	0.4
282.05026	0.4
289.07349	0.7
297.34702	0.4
309.55328	0.4
343.11838	0.4
410.33893	0.4
505.27283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0997
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.98502	0.6
57.03477	0.6
59.01389	9.0
63.02398	0.8
71.01395	2.7
73.02973	1.2
83.01405	0.8
85.02964	1.7
87.80674	0.7
88.22305	0.7
90.10654	0.9
93.03452	0.8
96.96029	1.7
100.68161	0.7
107.01405	3.3
108.02196	1.5
109.02975	5.0
113.02451	1.7
119.05038	0.8
121.02944	1.2
125.02452	1.0
135.00888	1.0
135.04544	1.3
145.02997	0.7
148.01709	3.2
151.00372	11.4
153.01907	1.2
155.04889	0.7
159.04564	0.9
161.02426	1.4
163.00383	3.4
169.01389	0.9
178.99870	3.4
199.04037	3.0
211.04071	0.8
213.02023	0.8
215.03598	0.9
226.02774	1.7
227.03452	4.4
243.03004	16.7
245.04530	1.0
254.02318	3.7
255.03004	36.1
263.84076	0.9
271.02518	75.7
272.03140	3.3
273.04199	1.1
283.02518	0.8
299.01950	1.3
300.02792	100.0
301.03592	33.9
459.89438	0.7
463.09052	1.2
505.10001	51.5
505.26913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.1
67.08621	0.7
69.70173	0.7
76.57290	0.8
78.95930	1.4
98.21618	1.0
121.02954	100.0
126.18789	0.8
150.76852	0.8
152.99606	1.6
159.34598	0.8
166.76300	0.8
168.37755	0.9
181.06607	4.5
197.06078	4.0
218.71367	0.9
225.05620	1.3
226.97659	0.8
257.09698	1.4
266.28699	1.0
277.21750	14.3
313.07275	5.3
417.09848	8.1
505.11432	5.5
505.25830	4.9
524.19330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28150	0.3
50.28630	0.2
50.97153	0.2
51.79016	0.2
55.01897	1.6
57.03460	1.6
58.00617	0.5
59.01391	100.0
65.00320	0.4
69.03463	0.4
71.01389	18.3
72.99320	1.2
73.02950	5.3
83.01379	3.3
85.02958	7.3
87.00879	2.4
87.04533	1.8
89.02448	7.2
91.83010	0.3
92.10744	0.5
93.03474	0.4
95.01393	1.7
97.02943	0.4
99.00885	1.7
101.02436	11.2
101.06085	1.9
105.01968	0.3
107.01379	0.6
113.02449	6.9
119.03510	2.2
119.05028	7.6
123.04509	0.4
125.02428	1.7
143.03476	0.3
145.02954	0.5
149.00920	1.2
151.00394	2.3
159.02977	0.3
161.02325	0.5
161.04585	2.7
167.03522	0.5
179.05548	0.5
211.07562	0.3
255.19612	1.1
277.04327	4.2
277.54419	1.3
278.05206	0.5
283.02432	1.7
297.20853	0.4
299.12930	0.4
321.79807	0.3
327.16092	0.5
359.07706	0.4
371.14871	1.5
399.23914	9.5
417.24945	14.2
459.25842	1.3
505.53720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
62.63766	0.2
64.66376	0.2
71.01385	1.8
85.02969	0.4
89.02470	1.3
92.10703	0.2
96.96011	0.3
101.02443	0.8
109.02944	0.3
113.02459	0.5
119.03522	0.3
132.02194	0.5
133.02959	22.7
134.05130	0.2
135.04521	12.5
148.05255	0.3
149.06111	1.1
160.01747	0.2
161.02449	100.0
161.69058	0.2
162.02800	1.0
175.04022	0.5
177.05573	1.4
179.03500	15.2
203.03561	1.4
221.04539	1.4
251.05614	0.3
256.88730	0.2
281.06787	1.2
292.98285	0.2
336.87354	0.2
341.08792	29.8
503.14151	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.4
55.33309	0.7
58.00607	1.2
59.01386	100.0
63.44275	0.8
64.98247	0.8
67.14056	0.9
71.01382	41.6
72.99312	1.9
73.02944	65.0
79.64796	0.9
83.01389	16.4
85.02943	6.1
87.00896	1.7
89.02452	8.1
99.00856	1.2
101.02438	42.2
107.01452	1.0
113.02468	10.7
119.03513	1.5
119.05022	10.5
120.05350	1.1
125.02477	3.6
129.09128	0.9
131.03499	1.3
145.02919	1.1
149.04550	1.7
151.00374	1.6
155.03513	1.3
161.04602	6.7
163.14973	6.4
237.14915	7.6
277.04294	5.0
277.54541	1.8
283.02573	2.1
351.67090	0.9
399.24374	1.1
417.20645	1.7
417.25110	4.4
420.03882	0.9
448.60483	1.0
448.67142	1.0
459.22403	28.5
472.18198	0.9
529.56122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28727	0.6
59.01376	13.6
59.01607	0.7
66.98145	0.7
71.01369	7.0
73.02938	0.8
75.00928	1.0
75.77103	0.7
81.03468	1.3
85.02930	1.8
87.00880	4.3
89.02463	3.5
93.03461	3.6
95.05072	0.9
96.96004	20.9
98.95596	10.2
98.96422	1.5
101.02435	3.4
105.01945	4.5
105.03461	1.4
108.02221	1.2
109.02946	13.9
113.02440	4.3
115.59055	0.7
116.92840	1.3
119.03407	1.0
119.05048	5.3
121.02930	6.1
123.04517	8.4
133.02917	5.9
135.04517	5.8
136.01653	1.1
137.02441	100.0
143.88589	0.8
145.02936	1.1
145.06613	1.3
146.16545	0.8
149.02437	10.1
151.04030	3.0
153.01901	1.1
161.02444	3.9
163.04048	2.9
165.05658	0.9
167.03529	3.6
177.01918	16.6
179.03465	4.0
187.07588	6.7
191.03464	0.9
199.48546	0.8
199.73337	0.8
209.04355	1.0
211.07657	1.0
213.05537	5.4
229.05144	1.2
252.39110	0.8
253.05031	0.9
255.06648	46.1
329.08698	1.3
357.08517	0.9
375.08923	3.2
393.09818	4.6
425.55444	0.8
427.08530	1.4
459.19061	1.1
471.11359	5.8
503.13681	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	503.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12646	0.5
59.01387	4.7
61.34782	0.4
69.03490	0.4
69.55953	0.4
71.01380	2.1
73.02928	0.6
81.03459	2.0
83.08024	0.5
85.02950	0.8
87.00873	0.5
89.02471	1.1
93.03457	1.0
96.96004	9.9
96.96960	0.6
99.06594	0.4
105.01949	0.9
108.02213	1.0
109.02961	11.5
113.02460	1.0
121.02948	2.0
123.04514	2.7
125.02413	0.5
126.78480	0.5
135.04550	1.8
136.01675	1.7
137.02448	100.0
138.02818	0.8
143.08633	0.5
145.03044	0.6
145.06610	0.6
149.02434	3.0
149.06059	1.9
161.02441	2.0
165.01884	0.5
167.03537	1.9
168.00325	0.5
171.04567	1.1
175.03935	0.7
177.01952	4.5
179.03600	0.9
185.06096	1.6
187.07631	6.1
211.07675	2.7
213.05620	4.2
213.71735	0.5
225.68105	0.5
229.04993	1.0
237.05667	0.6
251.05258	0.7
253.05264	0.5
254.05981	0.5
255.06664	37.6
256.06985	0.7
265.05032	1.9
277.03610	0.7
297.72568	0.5
305.08203	0.9
329.08432	0.5
347.09140	0.5
365.10086	0.7
375.08743	2.7
393.09845	2.7
459.15045	0.6
473.92911	0.5
503.13550	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	57.6
59.07986	0.5
61.98836	1.2
63.59822	0.5
71.01409	3.0
73.02962	5.1
85.02974	1.1
87.00867	1.2
89.02439	0.8
90.14881	0.6
93.03477	0.7
96.96027	3.9
101.02461	4.0
110.17851	0.6
113.02471	3.0
114.11149	0.6
129.01924	0.8
133.03021	1.2
135.04514	4.0
145.03009	3.1
146.03743	100.0
147.04518	3.2
154.71300	0.6
161.02496	1.2
161.06085	26.4
163.04002	4.2
164.04794	64.2
179.07138	97.6
229.17471	0.7
255.38817	0.7
415.15979	0.8
428.12784	0.7
516.58148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
69.26125	4.5
69.87370	4.9
71.01398	6.7
77.48902	5.7
79.09409	5.3
83.01391	7.0
89.09015	5.5
93.03449	5.2
96.95998	79.0
107.05075	6.8
109.02915	6.8
123.04505	9.9
133.02901	7.9
135.04520	59.1
144.18091	5.5
145.92148	4.9
149.06073	7.8
151.04076	7.7
161.02454	38.6
162.83978	5.8
165.75674	5.2
165.91064	5.4
167.03482	11.4
177.05542	24.2
179.03511	46.1
193.48221	6.4
205.05116	5.8
207.02931	6.7
209.04536	9.7
219.03058	11.9
221.04524	26.9
249.04099	100.0
251.05684	8.1
261.04059	8.2
263.05606	13.3
279.05237	41.9
281.06741	11.5
291.05020	10.3
309.06259	6.0
334.22855	5.9
339.07074	34.7
341.08621	7.7
369.08246	27.3
459.11539	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1198
Annotation	Fluvalinate
Peak:m/z	Relative Intensity
53.66618	1.0
54.58873	1.2
55.91720	0.9
57.97202	1.3
59.01387	18.0
59.72099	1.0
61.91467	1.1
71.01379	6.0
72.07834	1.4
73.02920	9.4
75.45709	1.2
79.18990	1.2
83.01372	1.6
87.00860	1.8
87.04520	9.9
89.06065	12.8
92.10783	2.4
93.03502	1.1
96.96003	1.2
99.97230	1.2
101.02451	5.1
105.03468	2.6
107.04967	1.4
109.02937	5.6
113.02406	1.8
114.97865	1.2
117.03500	2.1
119.05018	1.9
121.02930	16.1
123.04510	5.0
125.02380	1.3
126.19048	1.3
129.10437	1.3
133.02921	1.7
135.28058	1.1
137.56427	1.4
142.86285	1.2
145.02954	5.8
147.04581	2.6
149.02473	2.6
153.01961	1.9
159.04514	2.0
160.01492	1.3
161.02451	50.6
163.04005	1.6
175.04018	2.6
177.01920	2.3
187.04082	2.0
189.01997	17.9
189.05595	2.4
203.03638	1.5
206.99686	1.3
209.11751	1.2
215.03694	1.3
219.03058	2.2
237.07648	16.9
241.05096	1.5
241.08794	1.5
249.05444	1.3
265.05115	2.1
267.06674	2.9
277.05051	1.6
283.05869	1.3
290.05896	2.1
291.06641	2.8
293.04526	8.3
294.05447	1.5
295.06235	1.5
303.06598	4.5
309.07590	2.1
315.06760	1.8
319.06189	6.5
329.04666	2.8
331.06241	7.0
341.04407	2.2
341.08524	1.6
342.05661	1.8
343.06030	2.7
343.09769	1.3
346.04858	1.7
347.05487	4.8
355.06049	1.7
359.05768	1.6
381.07715	2.7
395.08862	1.6
397.10846	1.4
406.46558	1.3
411.08963	2.1
413.10562	2.4
437.10410	4.2
455.11340	7.1
465.09961	9.7
483.10925	17.6
501.12003	100.0
502.12402	4.8
521.64233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
60.99007	0.7
60.99316	19.2
71.01376	0.6
88.98816	100.0
96.96004	1.7
100.27409	0.4
109.02966	2.4
120.24157	0.4
125.02448	0.5
133.02985	0.5
152.01138	2.2
153.01988	4.4
167.03505	1.9
195.03036	9.1
255.05136	11.8
283.46695	0.4
306.02289	0.4
315.07217	1.6
339.53860	0.4
345.06091	0.4
411.09399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01386	4.1
60.99312	12.0
61.66396	0.5
62.21170	0.5
69.03497	0.7
71.01398	3.0
73.02962	0.9
81.03459	14.0
83.01385	1.4
85.02963	1.3
85.31068	0.6
87.00854	0.8
88.98802	59.5
93.03465	0.9
95.05031	5.3
96.96020	6.1
97.02926	3.4
99.04527	13.3
101.02464	0.9
109.02959	9.1
111.04522	1.5
121.02971	1.3
123.04527	10.0
125.02443	31.4
125.08250	0.6
129.01971	0.7
133.02972	13.8
135.04509	0.9
137.02483	5.2
139.04021	3.8
149.02437	0.9
151.03999	1.5
152.01135	0.6
153.01976	2.9
163.04012	3.7
165.01898	0.8
167.03508	100.0
177.01903	4.5
179.03520	1.5
191.03484	0.7
193.01439	4.7
195.02954	6.2
195.05133	3.4
197.04593	15.6
207.03004	1.1
209.04575	2.8
217.01393	0.6
235.02536	15.9
255.05159	8.9
265.03479	1.5
287.07761	5.5
345.06186	36.9
355.06577	0.8
375.07175	2.7
411.08932	0.7
465.10434	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	500.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94334	3.0
59.01396	7.3
60.59362	2.8
61.69585	3.0
61.98845	7.4
78.95904	56.5
88.48621	3.1
91.77930	3.6
100.09387	3.1
106.48529	3.4
140.01218	16.3
159.29684	3.7
196.03784	14.9
230.86687	4.0
259.24390	4.3
303.23325	100.0
500.28030	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26281	0.4
59.01382	100.0
60.24307	0.4
68.00208	0.4
70.37107	0.4
73.82183	0.4
90.97132	0.8
92.66273	0.6
114.98853	0.7
132.98196	2.5
134.97078	1.9
145.23909	0.4
156.99948	2.3
157.03592	3.7
159.01495	2.3
174.99240	29.6
200.91656	0.5
201.02574	34.1
217.00327	93.8
223.05269	0.4
276.98236	0.7
299.01410	0.9
339.33478	0.5
343.03732	2.9
359.01526	46.3
360.01779	0.6
394.17584	0.5
445.54721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2511
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
50.83538	0.7
50.88882	0.6
57.15925	0.7
59.01389	9.5
61.98840	0.9
71.01391	4.6
85.02949	1.5
89.02446	3.7
113.02469	1.1
119.05030	1.4
128.10818	1.6
129.01933	0.8
130.08737	100.0
161.02437	1.1
172.09729	3.7
202.30698	0.8
432.41162	0.9
500.25089	57.5
501.25421	1.0
511.20480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.9
61.98835	1.0
64.87000	0.7
67.09009	0.6
78.95908	15.2
79.25549	0.7
81.64811	0.8
97.63398	0.8
113.00549	0.7
140.01208	5.2
152.99576	1.6
196.03886	1.2
214.04823	6.2
259.24295	5.7
303.23337	100.0
304.23541	1.6
500.27722	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	499.1982
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03474	15.5
59.01392	25.6
81.03421	5.7
83.01389	16.5
93.03454	6.9
97.02949	5.4
109.02981	6.5
125.02455	100.0
135.04547	5.9
137.02448	80.7
137.05661	3.9
146.03743	46.9
159.04553	7.6
161.02458	6.0
164.01135	6.4
165.01974	33.8
167.03471	9.2
172.05292	4.7
173.06102	4.4
174.03250	17.2
179.03540	7.9
185.06114	5.2
187.04036	5.4
225.05646	9.0
237.05487	4.6
271.13449	33.9
283.13425	7.5
289.14481	6.8
313.14423	8.1
317.14087	5.2
343.15714	17.1
361.16861	5.6
419.18442	6.3
437.19797	27.3
481.18893	23.6
499.13577	5.7
499.19757	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1983
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.23856	1.0
51.83480	1.4
52.89697	1.1
53.48405	0.9
57.03459	11.6
59.01388	9.9
60.20672	1.0
61.98843	2.2
68.97710	1.3
76.80251	1.3
80.96526	5.8
81.03457	2.8
81.08173	1.2
81.08652	1.1
83.01386	7.7
87.31429	1.3
90.20847	1.4
93.03484	2.4
95.05042	2.0
97.02956	2.3
99.04533	6.0
108.02216	1.9
109.02992	1.7
111.00884	5.3
119.05086	1.5
121.02904	4.3
122.03739	13.0
123.04542	2.2
125.02454	46.6
135.04527	7.6
136.01640	1.7
136.05278	2.9
137.02458	32.4
139.04048	2.3
139.24475	1.2
146.03772	1.7
148.05365	1.8
150.03227	6.3
152.99556	1.3
156.91563	1.6
159.04486	2.4
161.02397	2.3
162.03180	2.2
164.01160	6.7
164.04808	2.4
165.01959	19.7
167.03499	2.9
172.05228	2.3
179.03481	9.5
197.95140	1.5
201.05574	2.5
202.06332	2.1
204.04269	6.4
213.05634	2.4
226.06361	1.6
244.07338	2.6
251.16508	2.9
273.14981	22.8
285.15002	2.8
287.16525	9.3
288.06317	2.5
291.16089	2.9
312.30127	1.5
315.16153	11.0
319.15527	2.5
325.18149	1.8
333.17114	6.3
361.16498	9.8
367.19141	2.4
385.20517	2.0
409.20227	5.2
415.17706	3.0
455.20956	8.2
481.18912	2.6
493.00439	1.5
499.19827	100.0
499.25980	7.3
500.19714	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	497.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13667	2.2
59.01388	65.5
59.68528	2.5
71.01379	34.0
73.02949	68.5
73.84884	2.5
75.00878	5.1
78.95909	11.6
83.01411	6.4
85.02959	2.8
95.05030	5.8
97.06557	3.5
100.39484	2.7
101.02429	31.9
107.05032	13.3
111.00912	3.4
113.02442	4.2
121.50717	2.6
125.02472	5.5
125.06091	3.8
135.04535	10.2
136.01547	2.4
137.09741	4.9
152.99538	10.5
187.14970	11.0
189.12871	4.6
205.16063	21.0
211.30515	2.7
229.15944	5.7
249.14972	100.0
263.16470	4.3
273.15088	24.4
291.16086	15.0
303.16074	3.8
383.75980	2.9
393.44290	2.9
447.24612	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	497.2764
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
55.90624	3.9
59.01384	100.0
67.16314	3.8
71.01387	37.4
72.99336	4.3
73.02949	85.7
83.01408	16.1
88.98824	8.0
89.02456	7.2
92.10061	7.4
101.02438	49.4
108.99380	4.2
113.02478	9.1
161.04591	6.9
275.20261	45.9
497.27847	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46230	0.6
53.50925	0.5
55.01875	1.0
55.11388	0.6
57.03448	1.1
59.01400	4.1
71.01389	3.9
73.02953	1.2
82.88290	0.6
83.05042	1.1
85.02939	16.1
87.00875	34.2
87.47388	0.7
93.03459	13.0
96.96016	4.4
99.00897	0.7
101.02467	1.7
107.05051	1.3
108.02206	0.8
109.02953	32.1
111.00911	0.9
111.04528	1.2
113.02456	32.6
113.71712	0.8
123.00919	1.0
123.04520	0.8
125.02431	0.7
127.86631	0.7
133.02953	6.8
134.03737	4.2
135.04530	100.0
137.02437	6.3
151.03949	0.9
152.01144	4.2
153.01952	86.0
155.03458	1.3
161.02463	25.6
173.04584	1.1
179.03505	74.0
195.02980	15.1
196.03262	0.8
225.04094	4.5
255.05139	16.9
255.85962	0.7
297.06177	76.5
315.07068	1.2
335.07745	53.3
385.07831	51.5
403.35950	0.8
411.09283	4.7
497.13025	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	497.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50467	0.5
55.01884	0.7
56.71625	0.5
57.03464	1.4
59.01389	1.7
71.01385	3.6
81.88522	0.7
83.01414	1.1
83.05058	0.7
85.02956	14.5
87.00339	1.1
87.00873	34.6
88.98803	4.0
93.03477	0.8
101.02429	2.9
109.02956	36.4
113.02452	37.2
123.04487	1.1
125.02431	1.1
132.00874	0.7
135.04527	12.4
137.02490	0.8
146.21953	0.7
151.04065	1.6
152.01149	4.1
153.01950	100.0
161.02446	3.8
177.01976	0.7
179.03516	8.3
195.03023	15.8
225.04065	4.6
237.03972	0.9
255.05148	15.7
277.11331	0.8
279.05103	0.8
297.06198	88.4
315.07205	1.2
335.07803	4.0
385.07840	57.0
411.09219	1.8
462.17300	0.8
497.13470	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	496.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.7
61.98835	2.4
62.16093	0.5
64.66476	0.5
66.32164	0.6
68.03912	0.5
68.05490	0.5
71.01350	0.6
78.90815	0.5
85.02934	0.7
89.02465	0.8
96.04586	4.1
108.04568	1.3
134.06099	1.3
136.04062	0.9
136.07701	0.8
138.05574	0.9
138.09276	0.7
141.06670	0.6
146.06134	6.2
148.04054	1.4
150.05571	1.4
152.07147	0.7
158.06122	0.8
160.07687	3.4
161.13614	0.6
162.09291	4.0
164.07162	3.6
176.07106	1.0
179.41547	0.6
180.06673	3.0
186.09280	1.2
187.08809	0.6
188.07152	5.5
200.10918	0.8
212.07150	3.2
212.10779	1.1
213.07990	3.6
213.10207	0.7
214.08722	2.4
214.12444	2.6
215.11873	1.3
226.08952	1.7
227.08269	3.7
229.09773	4.8
240.10382	3.2
241.09859	5.4
242.11906	5.7
243.11417	2.6
255.07756	8.9
255.11520	1.2
257.09409	11.2
257.13010	3.7
267.11411	1.3
268.09750	0.9
269.09277	10.2
283.10980	5.6
284.11646	2.5
285.12485	11.6
287.10342	1.1
288.07529	0.6
301.12045	4.2
311.10471	12.6
327.09882	3.1
328.10571	1.3
329.11481	100.0
330.11685	1.0
347.03256	0.6
448.18631	0.6
466.19858	18.3
496.21155	21.8
497.21323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45565	0.6
59.01395	3.2
64.53789	0.6
66.03503	0.6
72.08197	0.6
74.94247	0.5
90.49313	0.6
96.04535	4.7
96.86324	0.6
102.39107	0.6
108.04576	2.7
122.06110	1.0
134.06142	1.2
136.04037	1.1
136.07692	1.0
138.05623	1.3
138.09248	1.1
141.06712	1.1
146.06151	8.6
148.04030	2.5
148.07660	0.6
149.01237	0.7
150.05641	1.2
152.07253	0.9
160.07745	3.5
162.05585	2.6
162.09277	3.4
164.07152	4.1
172.07567	0.8
174.09454	0.6
176.07182	1.2
180.06674	3.0
181.77785	0.6
184.07643	0.7
185.05806	0.6
185.08615	0.9
186.05605	0.7
187.08769	0.8
188.07202	7.1
199.08788	0.7
200.10895	1.2
212.07314	1.0
213.08049	1.0
214.08803	1.5
214.12398	1.1
215.11859	1.1
216.06555	0.6
224.10728	1.2
227.08136	4.9
229.09833	4.1
239.11998	0.9
240.10414	3.4
241.09727	4.3
242.12018	6.0
243.11374	1.4
248.14522	0.7
255.07767	8.7
255.11551	2.5
257.09344	10.7
257.13004	3.3
265.09912	0.8
267.11435	3.2
268.09833	1.1
269.09351	11.2
270.10220	0.9
273.08765	0.7
283.10916	6.0
284.11801	3.8
285.12442	11.3
287.10400	2.3
301.11887	5.7
310.09549	0.7
311.10385	13.2
327.09930	5.0
328.10733	1.0
329.11478	100.0
382.87674	0.7
466.19946	19.0
496.21185	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	495.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98845	2.5
62.55546	2.5
69.20563	1.9
71.01395	9.0
73.02937	9.9
75.00880	2.5
75.82483	1.8
78.95911	10.8
79.87152	2.0
81.08589	2.0
85.02948	4.9
87.83024	2.4
89.02469	2.2
101.02449	14.9
105.01935	2.9
113.02454	9.4
133.02957	4.1
134.03734	4.0
134.22559	1.9
135.04536	4.0
152.99586	10.2
159.11728	7.8
161.02458	9.6
161.04596	4.5
161.06075	2.2
213.67509	2.7
247.09717	9.8
317.13971	2.6
435.29745	54.5
495.21942	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	496.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	1.5
58.02980	9.6
59.01383	2.0
62.14483	0.8
67.04012	1.0
70.02975	12.0
72.00922	1.1
72.04543	13.5
74.02468	30.1
77.73666	1.0
84.04553	1.1
86.02477	4.9
89.04070	1.0
96.99916	8.9
97.04079	2.0
97.74502	0.9
98.02437	1.5
98.06120	1.1
99.05639	20.4
110.00752	3.3
111.01493	1.5
112.04052	2.5
123.01490	7.4
123.05715	1.8
125.02964	2.1
125.03725	1.1
136.02243	1.6
138.03775	2.2
141.06711	69.6
143.04623	11.0
165.02510	1.5
185.05684	25.1
194.10066	5.7
196.11613	1.3
221.12419	1.3
221.88516	1.0
222.09581	6.6
222.13132	1.8
237.54939	1.2
240.10692	15.9
248.11446	1.3
249.14491	1.6
264.14450	2.1
266.12183	8.0
275.21991	1.1
290.12231	2.0
308.13336	16.8
326.14407	5.6
352.12317	1.6
376.40198	1.1
409.14673	2.2
434.17465	4.5
452.18817	6.1
478.16727	6.3
480.97391	1.3
496.17688	100.0
497.18033	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	495.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	8.9
59.01385	68.4
59.01656	3.9
59.89160	1.7
61.98859	1.8
71.01405	13.4
72.99321	3.0
73.02948	4.1
75.00873	48.7
85.02966	4.9
87.00880	9.3
89.02457	3.7
93.51449	1.9
96.95988	7.5
99.00876	11.6
100.05772	2.0
101.02477	2.9
103.04009	50.3
105.01936	10.6
109.02947	2.5
111.73132	1.9
129.01945	19.9
134.03783	3.1
159.02969	11.8
172.05301	3.3
195.05127	100.0
200.04904	2.2
206.70096	2.3
206.72893	2.5
229.12364	15.8
247.09932	2.5
269.83981	2.5
273.14795	2.7
299.13083	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	495.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	8.9
59.01385	68.4
59.01656	3.9
59.89160	1.7
61.98859	1.8
71.01405	13.4
72.99321	3.0
73.02948	4.1
75.00873	48.7
85.02966	4.9
87.00880	9.3
89.02457	3.7
93.51449	1.9
96.95988	7.5
99.00876	11.6
100.05772	2.0
101.02477	2.9
103.04009	50.3
105.01936	10.6
109.02947	2.5
111.73132	1.9
129.01945	19.9
134.03783	3.1
159.02969	11.8
172.05301	3.3
195.05127	100.0
200.04904	2.2
206.70096	2.3
206.72893	2.5
229.12364	15.8
247.09932	2.5
269.83981	2.5
273.14795	2.7
299.13083	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	495.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
59.01384	100.0
59.15044	1.3
61.57120	1.5
61.99586	1.3
64.69067	1.5
66.82806	1.3
69.03467	2.4
71.01371	23.7
73.02948	12.0
75.00881	1.6
75.66603	1.5
76.37350	1.5
77.68841	1.5
78.95929	3.3
79.05563	8.7
83.01407	7.0
83.05012	2.1
85.02976	3.6
89.02441	15.8
91.05575	2.2
93.03463	2.1
95.01415	2.0
99.00885	2.2
99.04534	1.4
101.02431	15.9
103.80727	1.4
107.05016	3.6
109.06590	3.4
113.02437	9.9
119.03566	1.7
119.05115	1.5
125.06101	2.7
129.07101	6.4
131.03528	2.2
133.02957	3.1
134.03757	6.0
135.04504	2.1
143.08708	6.2
149.04576	3.5
152.99603	3.7
157.10223	2.6
159.11797	33.2
160.01744	1.6
161.04526	2.6
161.06181	2.1
170.07449	1.9
177.02013	1.8
178.02740	2.3
179.03482	3.2
179.05862	1.8
183.11810	2.5
185.09737	8.5
195.05142	3.1
199.11241	2.3
201.12895	7.8
203.10840	30.5
245.11749	3.6
247.09782	50.6
289.10861	3.5
371.15131	2.8
435.22537	8.0
435.29666	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	494.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79287	0.5
59.01378	8.7
61.98843	0.6
71.99540	0.6
76.29295	0.6
80.05079	1.2
83.05032	1.1
85.02943	0.7
104.05078	0.9
106.06610	0.8
109.03011	0.8
111.04541	1.2
113.02438	1.6
121.03012	0.8
132.04552	14.9
132.08218	0.8
133.02956	3.0
134.06125	4.1
135.04518	1.2
137.06006	0.9
145.02969	1.4
146.03297	1.0
146.06161	7.4
150.05618	2.8
151.00348	3.0
156.08218	0.8
158.06154	1.3
160.04013	13.4
160.07698	3.0
161.02457	1.5
161.04852	1.1
169.05298	0.8
172.07712	1.2
174.05576	14.2
174.09250	4.6
176.03568	1.4
182.06161	2.7
184.07674	16.9
186.05617	4.6
188.07236	3.4
200.07181	4.3
200.10635	1.0
202.08754	51.9
204.03012	5.1
213.04378	0.8
216.06721	9.0
216.10323	1.5
226.08759	1.6
228.06679	15.7
242.08078	0.9
244.09807	3.6
246.07727	10.7
260.05658	3.5
260.09219	1.4
265.85623	0.8
270.07730	1.5
272.05673	5.4
288.08780	4.2
290.06747	4.6
304.08432	1.1
314.06851	1.1
332.07785	100.0
333.08176	1.5
471.84274	0.8
494.13205	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	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.2
59.31157	0.6
61.98833	55.3
66.06282	0.5
71.01405	0.6
77.03973	2.9
79.01889	0.8
81.17725	0.5
93.03465	2.5
93.59049	0.5
100.93707	0.5
105.03474	1.3
117.03472	15.7
119.05049	1.3
121.02982	3.4
133.02972	0.7
135.04520	3.0
145.02979	1.0
147.04539	0.7
149.02461	3.5
159.04553	2.4
161.02434	6.9
163.00386	1.0
163.04001	5.0
165.01950	2.7
183.04520	0.6
191.03493	2.6
197.06064	1.0
237.05786	0.6
238.06340	0.7
239.07207	2.9
251.07234	0.5
253.05249	0.8
267.06760	0.6
268.03720	4.9
269.04556	6.9
281.04605	7.4
282.05328	5.4
283.06149	71.9
293.04614	2.8
295.06134	5.2
311.05670	100.0
312.05930	1.3
323.05591	7.5
341.06714	19.6
353.06555	1.3
431.09885	90.7
432.10300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99612	59.3
59.54486	63.8
61.70615	51.4
63.71385	55.7
65.85106	54.9
67.98018	70.7
85.91249	66.6
101.62376	75.6
116.58769	79.9
140.39308	76.7
187.11380	63.3
248.96579	100.0
484.09927	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82699	13.0
56.37968	11.7
59.71457	12.3
62.43421	14.7
74.22887	16.5
92.10678	23.6
94.73549	14.4
97.13108	13.7
136.74101	15.8
458.39993	16.4
493.34497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57342	0.5
53.92204	0.4
59.01381	11.4
59.01654	0.6
68.72848	0.4
71.01371	3.6
74.99120	2.1
81.03458	18.1
85.02971	2.6
87.00887	0.8
89.02451	3.1
92.10738	1.0
93.03482	1.1
94.17590	0.5
95.01430	0.5
96.96016	4.7
101.02463	2.9
106.01829	0.5
109.02968	2.8
109.75177	0.5
113.02460	3.3
117.03469	8.9
119.03571	0.7
119.05026	8.8
121.02984	5.6
122.03750	5.5
123.04525	100.0
133.02977	3.0
134.03264	0.8
135.04501	3.5
136.04843	0.8
137.02451	2.1
145.02966	44.2
146.03273	2.3
147.03514	0.7
147.04579	0.7
151.43098	0.7
159.04561	3.8
161.02444	8.8
161.06104	2.6
162.02782	4.8
163.04044	7.2
177.05547	0.6
179.03549	1.1
187.03989	9.2
205.05077	2.7
235.06404	0.6
245.08212	47.1
265.07117	0.7
272.03329	1.2
307.07889	0.6
325.09286	13.7
327.09967	1.0
330.11932	0.9
331.12363	0.8
423.12738	4.0
433.24307	0.7
449.14795	3.7
489.26648	0.6
493.15616	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	493.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41175	1.1
57.03445	1.5
59.01390	100.0
60.01733	2.3
61.01809	1.2
61.98848	1.4
62.45902	1.1
71.01391	16.3
72.99319	2.2
73.02937	5.5
75.00869	1.6
81.03437	1.4
83.01400	5.4
85.02958	8.6
87.00888	2.9
89.02441	7.5
99.00873	2.0
101.02425	8.6
105.03475	1.4
106.44361	1.4
109.02969	9.3
113.02432	13.3
114.39055	1.6
117.03439	1.3
119.03526	2.6
121.02940	1.9
125.02448	6.5
129.01909	1.5
133.02948	5.8
135.04510	6.6
136.01646	1.8
137.02464	7.0
139.00397	2.1
143.04977	2.0
145.02960	7.1
149.02432	2.1
151.00313	2.2
151.03996	1.5
153.01982	9.9
161.02434	20.2
161.04456	1.9
161.99352	1.3
163.00356	8.8
165.01814	1.8
169.01421	5.5
169.06644	1.5
175.04018	2.1
179.03461	7.6
180.04211	1.4
188.04793	2.5
193.01439	1.9
195.03273	1.7
195.05098	3.3
199.04010	2.8
215.03503	35.7
216.04242	2.3
227.03482	2.4
227.07063	2.4
228.04376	1.4
229.01367	2.3
241.05154	3.1
243.03014	17.7
244.03732	18.7
245.13965	2.7
245.17622	3.1
248.76532	1.7
257.04550	1.8
258.01382	1.6
268.90829	1.5
269.04657	2.0
271.02402	10.7
271.09717	1.3
272.03198	22.7
285.03943	5.1
300.02679	1.8
317.06702	2.3
331.07114	1.7
343.04745	2.4
344.05161	10.0
345.06186	53.0
357.06073	1.6
373.05685	81.9
385.05838	11.0
389.21890	19.5
403.06729	26.8
407.22946	11.6
449.24240	3.4
475.08847	2.4
493.02716	2.7
493.09927	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42658	0.5
56.48809	0.6
63.69412	0.6
70.53965	0.7
81.49950	0.7
95.84859	0.7
100.93866	0.7
114.27649	0.7
117.03499	1.0
119.05023	100.0
125.29748	0.8
145.02966	1.4
155.76529	0.8
163.04024	50.2
326.46365	0.8
414.87415	0.8
459.35107	1.0
491.30078	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	491.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50513	0.5
60.96797	0.6
62.94816	0.6
75.50415	0.5
75.62646	0.5
78.05228	0.5
97.26506	0.6
117.03488	0.7
119.05023	100.0
120.05438	0.6
145.03064	1.1
163.04018	55.0
184.90088	0.6
214.65346	0.6
223.24454	0.6
238.05295	0.6
319.87024	0.7
491.30139	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	491.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
62.46253	0.6
78.95906	0.8
91.04002	0.9
92.10776	2.3
117.02642	0.9
117.03470	22.8
119.05028	11.5
121.02971	2.7
133.02969	0.8
145.02965	100.0
152.99612	0.9
163.04031	5.8
225.22340	0.9
225.69014	0.6
238.86047	0.6
271.22861	8.9
331.26425	7.2
399.25446	19.9
417.26532	13.6
491.30157	32.8
506.22336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67730	1.2
53.86248	1.2
54.13905	1.1
59.01392	1.9
60.01601	1.4
70.07229	1.4
71.01374	1.5
78.95896	1.9
92.10938	2.4
107.02328	1.4
117.03476	26.8
119.05044	14.2
145.02960	100.0
146.03258	1.6
152.99641	3.1
163.04028	7.4
260.80225	1.6
271.22845	10.6
277.61154	1.3
305.84567	1.4
331.26453	6.9
399.25482	20.6
417.26517	12.8
491.30161	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98315	0.4
55.01895	0.3
57.03459	2.0
58.86806	0.3
59.01390	100.0
59.26149	0.3
62.82447	0.4
69.80457	0.4
70.31300	0.5
71.01398	5.1
72.41330	0.4
72.97524	0.4
73.02947	1.0
76.57484	0.4
81.03466	0.6
82.94833	0.4
83.01399	0.9
85.02960	2.9
87.00898	0.8
89.02471	2.8
92.10110	0.5
93.03442	0.7
95.01385	0.4
96.96017	1.7
99.04525	0.8
101.02457	3.0
113.02464	3.7
117.03466	16.5
119.03559	0.5
119.05029	9.1
123.04553	0.5
125.02457	8.0
133.02936	2.6
133.06538	0.8
135.04555	3.2
137.02521	0.5
145.02963	55.7
146.03250	0.6
151.00333	1.9
152.01132	0.9
153.01927	0.7
158.03712	0.5
159.04494	2.0
161.02467	4.1
161.04709	0.5
161.06076	3.3
163.04021	9.0
167.03514	5.2
173.06091	2.1
177.05554	1.9
178.99962	0.5
179.03465	0.5
187.04021	10.1
197.04544	0.7
201.05547	0.7
205.05075	2.5
208.52803	0.5
215.07109	0.9
243.06624	1.9
259.06155	7.6
265.07162	0.8
283.06189	0.6
287.05640	4.0
307.08340	0.8
325.09348	14.5
329.06198	0.5
371.20758	3.8
389.21664	3.5
423.13040	4.7
431.22876	4.1
455.15839	0.4
494.48520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.9
59.01382	55.7
69.03442	0.7
71.01386	7.6
71.05016	1.5
72.02177	0.7
73.02967	1.8
81.03450	0.9
83.01398	2.9
85.02954	4.1
87.00902	0.8
87.04511	67.3
89.02436	6.3
92.97380	0.7
93.03451	0.9
95.01398	1.1
97.02931	1.0
99.00870	1.1
99.04539	3.5
101.02457	3.6
109.02942	0.8
113.02441	4.3
119.03516	1.1
119.05025	4.0
121.43248	0.8
123.04515	7.3
125.02431	10.0
131.03490	0.8
133.02969	1.0
135.04506	16.9
136.04953	1.1
137.09705	1.8
149.04558	1.4
151.00409	1.2
161.02438	3.1
161.04623	1.0
167.03491	5.9
182.55090	0.7
189.16507	1.0
207.17540	3.9
209.39362	0.8
211.50418	0.7
228.22293	0.8
243.03073	1.0
243.06856	0.9
243.15955	1.5
267.02942	1.5
269.00897	4.2
269.17606	100.0
278.05225	1.8
286.04941	2.5
286.54965	2.9
293.17609	4.5
311.01987	1.0
320.59253	0.9
367.07562	1.4
388.07898	1.0
388.58401	1.0
405.06305	0.9
405.21509	1.8
440.01047	1.0
447.22211	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	491.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82528	0.5
54.99459	0.5
55.01894	0.6
57.03451	9.6
57.95429	0.4
58.00613	0.5
59.01383	100.0
60.01705	0.7
69.03447	0.7
71.01379	19.3
73.02943	22.6
83.01385	6.0
83.05042	0.7
84.57699	0.5
85.02963	8.6
87.00874	1.1
89.02435	8.7
92.10130	0.5
95.01370	0.8
99.00860	0.6
101.02439	15.7
109.02925	1.1
112.05318	2.4
113.02441	13.9
116.97449	0.5
119.03464	2.0
129.01942	0.8
130.02184	0.7
133.02934	2.3
134.07390	2.9
135.04517	2.3
135.08157	2.0
137.09706	1.3
139.07655	2.9
143.03453	0.8
149.04552	1.0
149.09731	28.0
153.01912	0.9
153.09229	12.5
161.02449	7.1
161.04506	3.6
167.10773	29.8
171.10214	0.5
177.01935	0.6
179.03526	0.9
179.05579	0.7
209.11884	2.1
225.14915	2.3
243.12436	2.2
243.15916	5.1
245.01898	0.5
323.07700	1.9
387.20154	8.0
405.21503	4.1
428.09012	0.7
437.10925	0.8
443.78244	0.6
447.22400	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	491.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83637	11.0
59.01391	56.5
60.99304	12.5
68.93064	10.2
72.03982	13.0
76.34306	10.9
76.43472	9.9
80.70036	11.9
86.36331	10.9
88.98809	100.0
93.03500	16.9
114.12286	14.2
117.12345	12.7
134.03757	13.9
135.04500	20.1
189.60988	14.0
266.62775	11.8
287.16632	15.3
479.94995	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	491.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03457	3.8
59.01380	100.0
63.93869	0.7
69.03465	3.6
71.01370	23.3
71.01725	1.2
72.99330	1.2
73.02942	17.9
75.00892	0.8
75.17410	0.7
81.03477	3.4
81.46268	0.8
83.01374	9.4
83.05006	1.4
85.02946	19.8
87.00878	1.8
89.02435	13.1
94.56889	0.7
95.01376	1.5
95.05036	0.9
97.02956	1.2
97.06608	0.8
99.04529	4.9
101.02433	29.1
104.52967	0.9
106.49034	0.9
107.05029	1.0
109.02967	5.3
111.00867	7.5
113.02432	13.9
119.03503	4.9
119.05025	1.0
121.02975	1.6
122.77043	0.9
123.04475	1.2
125.02423	7.2
125.09730	6.8
127.04010	5.3
129.01935	30.0
132.02090	0.9
133.02951	32.0
134.03656	1.3
135.04527	23.8
137.02431	1.3
139.03961	1.2
143.03510	1.2
149.02463	1.0
149.04462	0.9
149.06081	3.8
149.09680	5.9
151.04025	0.8
153.09264	4.1
161.02440	85.1
161.04590	5.3
162.02849	6.5
163.02867	0.8
163.11320	0.8
167.10832	6.4
169.03212	0.9
173.05997	1.4
175.03932	1.1
175.07584	0.9
177.05559	10.2
177.09105	1.2
179.03484	17.2
180.03819	1.7
183.10188	1.2
185.06235	1.4
191.03543	1.5
195.10292	1.8
203.07173	6.0
221.04565	9.2
221.06593	1.5
223.04901	0.9
225.11270	1.1
225.15028	1.9
229.05040	1.1
243.06693	1.2
243.12422	11.4
243.16052	1.4
247.06221	1.1
251.05634	4.8
252.42448	0.9
259.06158	1.7
269.04523	1.9
273.04019	1.2
280.05939	0.9
281.06680	12.2
289.07260	3.2
291.07306	5.8
323.07535	1.2
341.08920	7.4
387.20361	11.4
395.07635	1.8
396.08121	1.1
405.21255	4.4
409.11371	0.9
447.22540	9.2
453.10504	30.8
455.10950	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	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07921	0.7
59.01388	8.6
61.15824	0.7
71.01385	1.8
73.02965	1.0
75.00880	0.9
81.03449	8.5
83.01384	6.5
84.79266	0.8
85.02965	2.0
86.77561	0.7
89.02393	0.8
89.10674	0.7
95.05017	10.2
96.13389	0.7
96.96005	7.7
97.02971	3.1
99.04517	6.0
101.02460	0.9
109.02932	1.1
113.02453	1.3
119.04988	0.8
121.02938	4.9
122.03740	1.6
123.04547	13.3
125.02436	16.8
135.04498	8.7
137.02489	5.6
137.06081	15.8
139.04008	5.2
141.05556	1.8
145.02988	0.9
149.02481	2.0
149.06029	0.9
157.94901	0.8
161.02437	1.9
163.04001	1.5
165.05615	6.0
167.02112	1.5
167.03502	40.1
177.05591	1.4
178.09209	0.8
179.03497	9.2
180.04250	1.6
181.05083	3.3
191.03517	10.1
191.05592	3.8
203.03479	0.9
205.05061	5.1
207.02960	1.0
209.04587	100.0
221.04507	3.6
223.06172	1.3
233.04556	17.1
239.05603	4.5
251.05618	3.0
263.05603	1.1
275.05484	1.1
277.84109	0.8
299.07654	1.0
312.79941	0.8
319.67422	0.9
371.09879	60.1
401.11096	1.1
491.13907	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	491.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14506	1.6
59.01391	3.8
59.29586	1.8
71.01374	2.3
81.03486	9.2
83.01382	3.7
92.57402	1.8
95.05035	10.4
96.96002	20.5
97.02959	3.3
109.02956	3.2
116.92863	10.9
119.05013	2.4
123.04526	20.1
125.02431	24.0
137.06120	17.9
139.03993	3.0
145.10762	1.9
149.06035	2.0
152.91756	3.3
153.01996	2.8
163.03954	3.3
167.03494	59.2
179.03496	10.2
181.05153	2.7
193.05028	7.5
197.04482	5.1
203.03448	2.2
209.04570	100.0
221.04579	3.7
239.05591	22.8
251.05548	2.8
254.62933	2.2
371.09845	36.0
401.10947	13.0
491.13968	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56530	0.4
54.82629	0.3
57.03461	0.4
59.01390	11.7
71.01390	4.2
73.02966	0.5
76.57516	0.4
81.03484	0.6
85.02966	1.8
87.00895	0.7
89.02435	3.4
93.03464	0.5
95.01402	0.7
97.02924	0.6
101.02446	1.7
109.02956	1.0
113.02467	4.6
117.03463	24.2
119.05024	20.1
120.14479	0.4
121.02988	0.6
123.04514	0.7
125.02460	1.8
131.05032	0.7
132.05823	0.5
133.02957	0.5
133.06610	1.8
135.04524	4.0
137.44110	0.4
140.24780	0.6
141.07008	0.4
143.04987	0.9
145.02960	98.1
146.03314	0.6
151.00301	0.5
157.06549	0.8
158.03687	0.8
159.04520	16.0
161.02431	1.9
161.04834	0.6
161.06093	4.8
163.04021	16.9
165.01895	0.6
171.04501	0.4
172.05292	1.0
173.06062	5.0
175.07607	3.9
177.05574	2.2
181.06612	0.9
183.04527	0.6
185.05974	0.6
187.04013	22.7
191.07111	0.7
197.06046	0.5
199.07648	2.5
201.05602	13.3
205.05121	4.9
215.07430	0.4
217.05199	1.1
225.05559	4.5
235.06189	1.0
241.05051	0.9
243.06630	100.0
244.06993	1.9
259.06027	0.8
265.07339	2.9
267.64978	0.4
287.05444	0.5
307.08334	3.0
325.09344	28.8
327.55582	0.4
343.37698	0.5
351.09412	0.4
366.58859	0.6
423.12988	13.0
424.29239	0.5
447.13043	4.1
455.15781	0.6
464.94763	0.4
478.63647	0.5
491.12085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71844	0.1
55.48626	0.1
59.01380	0.9
62.17969	0.1
70.58891	0.1
71.01382	0.1
71.62550	0.1
73.02932	0.2
77.87497	0.1
83.01391	0.2
101.02455	0.1
107.01396	0.6
107.05028	0.6
109.02973	0.7
119.43093	0.1
129.07130	0.3
130.04311	0.1
131.05067	0.5
133.02963	0.6
135.04526	3.2
137.02448	0.2
141.07089	0.2
143.05037	0.8
145.06590	0.3
151.00398	1.4
155.05046	0.3
156.05908	0.2
157.06613	1.8
158.03752	0.6
159.04523	16.0
161.02428	1.0
171.04579	0.2
171.08156	0.2
172.05318	1.1
173.06084	3.3
175.07652	4.3
180.05858	0.2
181.06638	1.2
183.04494	1.1
184.05324	0.6
185.06088	1.2
197.06108	1.1
198.06873	0.7
199.03983	0.3
199.07660	3.6
200.04872	0.8
201.05594	14.0
213.05629	0.3
215.07214	0.5
224.04781	0.2
225.05602	3.2
228.04306	0.2
232.45105	0.2
232.75241	0.1
241.05055	0.9
243.06638	100.0
244.06921	1.7
265.98373	0.2
279.52985	0.1
287.05685	1.0
391.65689	0.2
431.10321	0.2
437.13583	0.2
445.81119	0.2
447.13016	1.4
508.71262	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.1
59.01391	5.2
69.95393	0.1
70.35902	0.1
71.01402	0.3
71.99200	0.1
73.03002	0.2
73.24317	0.2
81.03459	0.2
85.03004	0.2
87.00884	0.2
89.02454	0.2
95.64515	0.1
107.05041	0.6
109.02971	0.8
121.02969	0.2
129.07120	0.7
131.05067	0.3
133.02980	0.9
135.04536	1.5
141.07114	0.3
143.05003	0.8
145.06593	0.4
151.00397	0.3
157.06628	1.4
158.03717	0.6
159.04526	18.2
161.02454	1.2
171.04471	0.4
171.08173	0.3
172.05310	1.2
173.06096	3.8
175.07645	5.1
181.06633	1.4
183.04469	1.3
184.05266	0.2
185.06068	1.0
196.05295	0.2
197.06215	1.1
198.06808	0.6
199.07681	4.4
199.13414	0.2
200.04825	0.8
201.05600	16.1
213.05719	0.2
215.07176	0.8
225.05615	4.4
228.04268	0.2
241.05081	2.2
243.06641	100.0
244.06996	1.5
285.07520	0.3
285.54202	0.2
387.10822	0.3
405.11993	1.6
447.13016	6.7
448.13364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.4
65.60406	0.4
68.93922	0.3
71.01392	2.1
73.02949	0.5
73.99229	0.3
75.66994	0.3
83.01397	0.3
85.02985	0.6
87.00877	0.6
89.02435	0.6
93.03454	0.5
96.96007	0.4
97.02919	0.4
101.02467	0.8
103.80959	0.3
104.42761	0.4
109.02951	0.6
113.02449	1.9
117.03466	9.9
119.05030	8.5
125.02425	5.0
127.89355	0.4
131.05043	1.3
133.02957	0.7
133.06606	0.7
135.04517	1.8
143.05002	0.8
145.02960	46.7
151.00374	0.9
152.01176	0.6
157.06561	2.1
158.03716	0.5
159.04521	14.9
161.02463	1.5
161.06099	2.2
163.04027	8.0
165.01921	0.9
172.05344	0.7
173.06105	4.1
175.07652	4.9
177.05569	0.8
181.06667	0.8
183.04468	0.5
185.06120	0.4
187.04019	9.0
197.06091	0.5
198.06885	0.5
199.04213	0.5
199.07700	4.3
200.04694	0.6
201.05589	14.2
205.05127	3.1
215.07146	0.9
217.50308	0.4
225.05672	3.6
241.05077	1.7
243.06641	100.0
244.07106	0.8
259.06116	4.0
265.07327	0.9
287.05707	1.6
307.08389	0.7
325.09314	12.1
423.12979	4.0
447.12756	4.4
491.11902	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.9
58.43331	0.8
59.01385	100.0
60.01747	1.1
61.01807	0.9
65.00326	0.9
68.36230	0.8
71.01381	9.9
71.05036	0.8
72.97544	5.6
72.99346	0.8
73.02948	1.6
75.00877	0.8
80.49707	0.9
81.03461	15.2
83.01409	4.9
85.02951	7.5
87.00880	4.7
89.02461	4.2
90.21455	0.9
93.03461	4.4
95.01411	1.5
95.05032	6.5
96.96018	4.4
97.02952	6.3
99.04507	11.8
101.02450	6.4
107.01385	1.4
109.02970	5.0
111.04535	1.6
113.02445	16.4
117.03468	34.2
119.05019	14.9
121.02945	3.9
123.00896	0.9
123.04536	7.0
125.02441	37.7
126.02744	0.9
133.02956	8.0
133.06589	1.4
135.04535	24.2
137.02464	10.4
139.04045	3.8
143.05093	1.1
145.02968	78.4
149.02444	3.7
151.00374	4.3
151.04024	1.3
153.01888	1.1
157.06664	1.0
159.04518	21.2
161.02455	17.2
161.06078	3.5
163.04008	16.7
164.01176	0.9
165.01944	3.6
167.03500	71.9
173.06071	4.0
175.07652	4.9
177.01918	1.9
177.05573	1.8
179.03496	4.4
183.04582	1.0
187.04030	16.8
193.01378	8.9
197.04541	12.9
199.07643	3.4
201.05606	14.8
205.05083	4.7
209.04655	0.9
223.02536	1.1
225.05687	1.6
235.02489	4.7
236.09311	3.5
241.05023	4.2
242.05396	1.0
243.06644	94.8
244.06903	1.1
269.04398	1.2
287.05545	1.8
307.08295	1.1
323.07764	1.4
325.09341	15.7
329.06647	16.3
359.07761	3.7
371.20941	1.4
423.13055	6.2
431.22861	3.4
447.13177	14.6
447.21979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.9
58.43331	0.8
59.01385	100.0
60.01747	1.1
61.01807	0.9
65.00326	0.9
68.36230	0.8
71.01381	9.9
71.05036	0.8
72.97544	5.6
72.99346	0.8
73.02948	1.6
75.00877	0.8
80.49707	0.9
81.03461	15.2
83.01409	4.9
85.02951	7.5
87.00880	4.7
89.02461	4.2
90.21455	0.9
93.03461	4.4
95.01411	1.5
95.05032	6.5
96.96018	4.4
97.02952	6.3
99.04507	11.8
101.02450	6.4
107.01385	1.4
109.02970	5.0
111.04535	1.6
113.02445	16.4
117.03468	34.2
119.05019	14.9
121.02945	3.9
123.00896	0.9
123.04536	7.0
125.02441	37.7
126.02744	0.9
133.02956	8.0
133.06589	1.4
135.04535	24.2
137.02464	10.4
139.04045	3.8
143.05093	1.1
145.02968	78.4
149.02444	3.7
151.00374	4.3
151.04024	1.3
153.01888	1.1
157.06664	1.0
159.04518	21.2
161.02455	17.2
161.06078	3.5
163.04008	16.7
164.01176	0.9
165.01944	3.6
167.03500	71.9
173.06071	4.0
175.07652	4.9
177.01918	1.9
177.05573	1.8
179.03496	4.4
183.04582	1.0
187.04030	16.8
193.01378	8.9
197.04541	12.9
199.07643	3.4
201.05606	14.8
205.05083	4.7
209.04655	0.9
223.02536	1.1
225.05687	1.6
235.02489	4.7
236.09311	3.5
241.05023	4.2
242.05396	1.0
243.06644	94.8
244.06903	1.1
269.04398	1.2
287.05545	1.8
307.08295	1.1
323.07764	1.4
325.09341	15.7
329.06647	16.3
359.07761	3.7
371.20941	1.4
423.13055	6.2
431.22861	3.4
447.13177	14.6
447.21979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01385	6.6
71.01382	25.4
72.99302	7.6
75.00873	22.0
83.91648	0.7
85.02988	3.8
87.00880	14.9
89.02437	6.9
99.00889	7.9
114.12542	0.8
115.00382	64.4
129.01956	11.4
130.69714	0.7
133.01436	100.0
134.03738	5.2
135.04536	62.6
147.02994	1.1
149.00926	45.3
149.04555	5.1
159.03033	6.4
177.99086	0.8
179.03505	54.0
192.46422	0.8
195.05121	66.1
300.14337	1.0
311.04047	6.3
357.08295	6.6
370.21402	0.8
409.45035	0.8
424.65701	0.9
457.45847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.1
57.03458	1.7
59.01375	16.6
59.01619	1.1
59.22089	0.9
60.09935	1.2
61.98831	14.9
67.48006	1.0
71.01380	7.0
72.59116	1.2
75.57043	1.1
81.03455	7.1
83.01391	2.2
85.02946	22.7
89.02435	1.6
94.24931	1.0
95.01394	1.2
99.00890	1.3
99.04521	2.2
101.02430	10.8
106.50680	1.0
107.01403	2.6
108.02176	5.6
109.02953	64.9
111.00894	14.1
113.02441	2.6
114.65115	1.1
116.39487	0.9
121.02908	1.5
122.03819	1.4
123.00922	1.9
123.04525	1.5
124.01653	4.6
125.02427	2.3
129.01938	20.2
151.00392	12.6
151.04001	1.4
152.01161	27.2
153.01942	94.9
159.04506	4.9
163.04016	1.1
177.05544	11.5
194.02200	9.6
195.03008	92.2
212.80006	1.3
221.04552	2.2
224.03307	5.2
225.03995	5.5
237.04095	1.2
254.04259	7.1
255.05116	100.0
263.05643	8.0
264.74182	1.1
297.06256	7.6
315.07172	5.3
323.07837	8.7
383.10025	7.6
427.08853	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98841	0.5
71.01401	1.0
73.02937	0.8
78.13884	0.4
85.02937	0.8
87.00874	0.5
89.02444	0.7
99.00879	0.6
99.04507	0.5
101.02449	0.5
134.03755	0.8
135.04527	1.8
145.82785	0.4
161.02385	0.5
196.01901	0.4
227.03496	0.5
255.02983	0.5
267.15994	0.7
275.09268	0.8
285.04086	0.8
387.07159	0.5
489.27679	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	489.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07402	0.4
59.01390	2.4
60.12162	0.4
64.19514	0.4
69.09917	0.4
78.95900	64.7
79.75378	0.5
92.10093	1.1
96.96962	8.4
113.86679	0.5
131.82820	0.5
135.04529	1.1
138.97113	0.5
150.98044	2.3
152.99602	100.0
171.00641	3.5
234.84151	0.5
256.00180	0.9
293.55750	0.5
309.36270	0.5
489.11621	0.7
489.22598	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	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88037	0.5
56.09205	0.5
57.03452	8.8
57.03669	0.5
59.01383	100.0
64.34508	0.5
66.65543	0.5
69.03481	0.9
69.13885	0.6
69.59924	0.5
71.01379	16.3
71.57023	0.6
72.99317	0.8
73.02940	14.5
73.03293	0.8
73.61742	0.6
74.11117	0.7
75.00860	6.4
80.10582	0.6
81.03483	0.9
83.01414	3.7
83.05009	0.7
85.02955	7.3
85.30530	0.6
87.00897	4.2
89.02437	4.7
95.01384	1.2
96.96031	0.7
99.00906	1.2
101.02441	10.8
105.07133	0.7
113.02455	5.8
113.06123	0.8
119.03514	1.2
121.02969	0.7
123.04572	0.8
123.08167	1.5
126.52917	0.7
129.01970	3.7
133.02953	1.1
133.06604	0.8
134.03737	2.8
135.04520	2.7
135.08232	0.8
136.01671	1.4
137.02229	0.6
137.09743	0.8
139.07585	0.8
147.04518	1.1
149.06163	0.7
153.09212	0.7
155.08723	0.7
157.10304	1.0
159.03049	2.5
161.02510	5.3
161.04585	3.5
162.02835	1.0
165.09207	1.4
175.11244	5.2
176.04771	8.2
177.04089	3.0
177.09222	8.0
187.07631	2.5
190.06308	1.0
195.05101	12.1
202.06332	1.1
203.03094	0.6
205.08684	11.3
205.12335	2.4
208.11208	0.7
212.29106	0.6
223.13429	8.8
231.10136	2.3
233.08099	0.9
249.11339	11.0
267.12363	4.5
270.39642	0.7
287.31921	0.8
293.10263	0.8
311.11453	2.5
385.18890	1.0
403.19254	1.0
406.74435	0.7
413.09891	0.8
445.20859	3.2
449.80197	0.7
471.15005	2.1
489.16061	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	489.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10892	0.4
55.01883	0.6
57.03458	7.5
59.01385	100.0
60.25409	0.5
67.71288	0.5
69.03477	0.7
71.01381	15.3
72.99306	1.1
73.02944	15.1
75.00864	9.5
81.03457	0.5
83.01392	3.8
83.05045	1.2
85.02957	8.1
87.00878	7.6
89.02427	6.3
95.01396	1.2
96.96024	1.0
97.02946	0.7
97.90847	0.5
99.00897	2.7
100.92130	0.6
101.02443	12.0
105.07136	0.7
109.02956	1.1
113.02467	7.2
119.03503	2.2
123.04539	2.1
123.08173	2.1
129.01941	5.3
133.02945	3.6
134.03683	3.3
135.04550	4.1
136.01671	3.3
136.04871	0.6
137.02490	0.8
137.09653	0.6
143.03513	0.5
147.04506	0.8
149.02466	0.7
153.01868	0.5
153.09177	0.6
155.08646	0.5
157.10243	1.3
159.02982	2.2
159.04562	0.7
159.08116	0.6
161.02466	10.8
161.04565	2.3
162.02785	3.7
163.02998	1.0
165.09163	1.0
173.73186	0.5
175.03957	0.7
175.11270	6.2
176.04787	9.1
177.04025	2.9
177.09204	11.4
179.03525	3.0
180.03716	0.6
187.07729	3.9
190.06422	1.0
195.05113	14.4
202.06430	1.0
205.08725	17.0
205.12367	2.3
223.13429	7.1
228.21323	0.6
231.10397	2.2
245.39777	0.6
249.11353	14.9
267.12381	3.5
275.09326	0.6
279.26968	0.6
293.10165	0.9
311.11426	2.5
325.08054	0.9
367.17615	0.9
413.09912	3.0
423.85352	0.7
445.20529	0.9
457.12863	1.3
471.15070	5.4
489.15942	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	489.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47097	1.0
57.03463	2.0
59.01385	76.9
60.60870	1.1
61.94079	1.1
69.03445	1.6
71.01383	17.0
72.99325	2.0
73.02942	4.6
75.00871	4.7
80.96558	1.0
85.02953	7.5
87.00892	1.4
89.02448	7.2
96.95993	1.1
99.00886	1.5
101.02428	8.8
109.02932	5.1
113.02463	7.2
115.00373	1.4
119.05032	2.3
121.02953	81.8
125.02443	1.3
129.01936	5.3
133.02911	2.5
134.03719	2.5
135.04515	5.9
136.01671	63.7
137.02405	4.9
147.04472	1.2
151.04019	67.7
159.02980	1.5
161.02475	6.8
161.04529	2.3
163.04001	1.6
175.07593	1.2
177.04039	5.4
179.03383	1.4
187.07507	1.3
189.05821	1.3
191.05602	7.7
195.04752	1.2
196.05214	1.6
197.06097	4.7
199.04053	2.4
212.04823	1.8
213.05583	20.9
222.95088	1.2
224.04851	1.5
240.04317	2.5
241.05096	100.0
297.13208	2.2
312.10150	2.2
324.67407	1.2
327.12469	76.8
329.54803	1.4
374.08447	1.6
403.10452	1.5
429.17822	7.9
445.11447	2.7
445.20926	5.8
471.15167	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05189	0.1
54.82711	0.2
57.03467	0.3
58.37905	0.2
59.01383	10.8
61.98848	0.2
67.80450	0.2
68.41350	0.2
71.01384	3.1
71.06104	0.2
71.53383	0.2
72.99333	0.4
73.02945	1.0
74.19427	0.2
75.00894	0.9
75.71928	0.2
77.19358	0.2
83.01407	0.3
85.02940	1.7
87.00884	0.5
89.01990	0.2
89.02472	1.3
96.96021	1.2
97.02953	0.2
99.00867	0.5
101.02450	2.4
105.02003	0.2
109.02965	0.8
109.31284	0.2
111.00906	0.3
113.02469	1.1
121.02959	2.0
125.02482	0.4
129.01938	2.2
131.03514	0.3
133.02986	0.9
134.03751	0.5
135.04539	0.9
136.01678	1.3
137.02475	0.3
145.06667	0.3
146.07361	0.2
151.04042	1.8
153.07170	0.3
157.06595	0.2
159.03024	0.3
161.02448	1.1
161.04671	0.4
165.53604	0.2
167.04999	0.4
169.06573	1.1
171.04526	1.3
173.06081	2.3
177.04042	0.9
183.04498	0.3
185.06094	2.5
189.09795	0.2
195.04640	1.3
196.05272	1.8
197.06085	4.1
198.03300	0.3
199.04030	2.9
211.04042	0.9
212.04823	2.3
213.05597	19.0
221.04747	0.2
223.03995	1.0
224.04845	1.6
239.03461	0.8
240.04318	4.5
241.05081	100.0
242.05385	1.9
257.04736	0.2
268.19608	0.2
281.06757	0.3
285.03967	0.3
297.13428	0.4
313.29355	0.2
327.05273	0.3
327.12433	1.4
353.13956	0.3
375.27576	0.2
385.09363	1.1
403.10651	0.5
429.17636	3.2
445.11374	5.1
471.14990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.09642	0.5
58.09826	0.5
59.01397	4.0
63.02431	0.5
63.85724	0.5
64.71581	0.5
65.00333	0.7
71.46398	0.5
93.03451	1.4
100.06486	0.6
101.30794	0.5
107.01408	3.9
108.74390	0.6
108.88514	0.6
109.02954	1.0
117.03437	0.7
132.02159	3.4
135.00952	4.0
143.05061	1.0
151.00339	2.8
152.88068	0.5
153.01921	0.6
158.62315	0.5
159.04503	1.3
163.00325	3.9
164.01137	0.9
177.23877	0.6
183.04420	1.0
185.06093	2.7
187.03999	4.5
189.05611	0.7
197.06119	1.2
199.04027	0.8
200.04764	0.7
211.04010	5.5
212.08080	0.6
213.01927	0.7
213.05565	2.3
214.88115	0.6
219.16428	0.6
227.03522	48.6
228.04097	0.9
229.05063	14.0
239.03534	2.9
241.05049	1.1
255.03009	94.1
256.03717	4.9
257.04617	7.5
273.70547	0.6
283.02469	0.8
284.03284	95.4
285.04068	100.0
489.10455	38.6
490.11172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Orientin 6''-acetate
Peak:m/z	Relative Intensity
57.02245	0.5
57.03457	0.9
57.73854	0.5
59.01387	100.0
60.17201	0.5
60.99326	0.6
61.98827	0.6
65.00340	0.6
68.25047	0.5
71.01374	9.8
72.99326	0.9
73.02958	4.8
75.00886	3.3
77.03974	0.7
79.01914	0.6
83.01403	2.3
85.02963	6.0
87.00872	1.3
88.98811	3.3
89.02435	4.4
93.03506	0.6
95.01395	0.6
95.18842	0.5
96.95993	1.3
97.02967	1.3
99.00883	1.1
101.02450	4.6
105.03443	0.9
108.02176	0.6
109.02951	10.7
113.02436	7.8
117.03478	3.4
119.03574	0.6
119.05021	3.7
121.02959	2.7
121.06600	1.0
125.02397	0.9
129.01944	2.5
133.02951	20.4
134.03763	7.0
135.04552	7.7
136.01646	6.1
137.02449	3.4
145.02954	8.5
149.02417	1.3
150.13832	0.6
151.00346	1.0
151.04008	2.4
159.03065	1.2
159.04500	0.7
161.02422	6.5
161.04480	0.8
163.00371	4.3
163.03941	4.3
165.01903	2.9
173.06032	0.6
175.04056	4.2
177.02002	0.9
177.04042	3.3
179.03471	0.7
179.10703	0.6
187.04001	0.7
187.07629	1.3
191.03470	1.0
193.01476	0.7
195.05080	2.7
197.11823	1.0
199.03984	2.4
201.01901	2.5
201.05566	1.1
202.06416	2.2
211.04170	0.7
215.03407	0.9
225.05484	0.8
227.03474	1.0
229.04962	0.8
231.06659	0.7
231.10281	2.2
241.05103	1.3
241.10902	0.9
251.03615	0.7
253.04976	2.2
269.04520	1.3
270.05304	0.6
275.09238	1.0
284.03333	7.3
285.04065	15.1
293.10419	1.1
297.00943	1.1
297.04083	21.3
298.04825	17.0
299.02414	1.1
299.05646	22.0
309.04184	0.6
311.05646	5.5
311.11359	2.6
313.18875	0.6
324.02933	0.7
326.50003	0.7
327.05154	57.1
330.03668	1.1
337.07449	0.6
339.05048	8.3
341.06546	0.9
357.06201	29.9
369.06253	0.7
369.19104	4.9
387.20248	3.4
393.06308	0.9
411.07312	2.3
421.11459	2.7
429.08142	2.7
429.21448	2.4
471.09250	3.9
471.15176	5.7
489.10400	25.5
489.17288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1034
Annotation	Orientin 6''-acetate
Peak:m/z	Relative Intensity
50.66167	0.3
55.67813	0.4
57.03455	0.8
59.01386	100.0
59.03339	0.3
61.65487	0.3
61.75742	0.3
71.01384	4.6
73.02953	1.5
75.00873	2.7
77.03979	0.4
79.01927	0.4
83.01396	1.3
85.02940	3.7
87.00861	0.7
88.98824	0.5
89.02464	1.8
93.03489	0.6
95.01398	0.6
96.96014	0.7
97.02976	1.3
101.02433	1.7
105.03477	0.6
108.02196	0.5
109.02963	6.8
111.60271	0.3
113.02458	6.4
117.03463	3.7
119.03448	0.4
119.05035	2.1
121.02927	2.1
123.04532	1.4
125.02448	2.0
129.01947	2.3
129.97845	0.4
132.02197	0.4
133.02960	14.2
134.03763	5.0
135.04523	4.1
136.01660	4.7
137.02449	2.4
145.02959	11.7
147.04510	0.8
148.01720	0.4
149.02457	0.8
151.04018	2.4
153.01834	0.4
159.04521	0.7
161.02501	4.2
161.06010	0.5
163.00345	1.5
163.03992	3.6
164.01164	0.6
165.01894	2.4
173.06134	0.5
175.04010	1.4
177.01949	1.7
177.04054	2.1
179.03502	0.5
187.03990	1.8
189.01906	2.2
191.03510	0.9
193.01413	0.4
195.03076	0.5
195.05040	2.7
199.04047	0.9
201.01930	0.6
213.05556	1.6
215.03493	0.8
224.04735	0.7
225.05646	0.5
227.03557	0.4
227.07124	0.4
241.05159	3.7
253.05025	1.5
255.06689	0.7
269.04532	2.2
273.08002	0.4
283.06012	0.4
284.03281	2.8
285.04053	1.6
289.07175	0.5
293.10306	2.2
295.06119	2.2
297.04056	7.7
298.04938	5.1
299.05597	9.7
309.04202	2.6
311.05557	4.8
311.11362	2.2
323.05634	2.2
324.02686	1.5
325.03464	2.2
325.07092	0.8
327.01260	0.8
327.05157	24.9
337.07211	1.4
339.05096	4.1
341.06546	5.8
351.04996	2.9
365.06827	1.5
369.06186	6.2
369.19290	1.9
387.20251	0.5
393.06027	1.7
411.07120	2.3
421.11581	3.6
429.08353	14.1
429.21265	2.7
471.15085	2.5
489.10413	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	489.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.4
67.34311	1.6
71.01369	4.7
73.02946	2.5
75.00874	1.6
85.02946	1.8
100.92812	1.7
101.02463	3.7
108.02187	2.7
109.02954	32.9
112.41193	1.9
113.02486	3.3
117.03479	2.6
121.02975	2.3
131.05023	2.5
133.02979	13.8
134.03734	4.6
135.04518	46.1
143.05016	11.1
145.02962	3.6
147.04504	2.2
153.03520	1.9
159.04512	49.7
161.02504	15.4
171.04501	32.0
173.02461	2.3
174.03255	2.5
175.03975	7.8
175.26050	1.9
182.03827	2.7
183.04590	2.9
185.06059	16.3
187.03949	4.0
193.06557	2.1
195.04532	3.1
196.05234	2.8
197.06064	7.7
198.03258	23.2
199.04027	67.5
203.03442	3.4
209.06096	3.0
211.04012	3.9
212.04878	4.1
213.05569	18.2
217.04984	9.2
223.04060	4.0
225.05544	2.2
226.02802	3.7
227.03485	3.4
235.07664	7.0
237.05661	3.4
239.03528	3.2
240.04265	32.9
241.05078	100.0
241.13445	2.8
243.02989	9.1
245.04672	2.6
248.04785	2.3
249.05582	7.4
251.07059	2.6
253.04971	2.2
263.07065	3.4
265.05035	8.1
267.02988	3.7
267.06573	3.1
277.04874	2.5
279.06717	3.1
281.04358	7.9
283.06116	54.2
285.04147	14.5
289.04993	2.4
290.05615	2.5
291.06635	10.7
293.04572	2.7
307.06183	2.8
308.06888	8.7
309.04138	26.9
316.07602	3.2
317.04544	2.7
317.08279	8.8
323.05698	14.1
335.05573	22.4
359.09268	3.1
373.25787	3.1
401.06262	4.0
403.08295	25.0
417.09607	2.1
445.09363	77.3
460.95145	2.0
489.27292	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	487.306
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.11184	0.7
52.51651	0.8
59.01387	4.6
65.54052	0.8
81.94700	0.8
100.32307	1.0
108.32211	1.2
250.53989	1.1
451.32755	1.7
487.30646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.5
64.55602	1.1
65.23908	1.3
71.01397	5.5
83.01392	1.5
85.02947	2.1
86.61423	1.3
87.00894	1.5
89.02426	2.4
92.10143	2.0
92.94171	1.3
94.43500	1.4
108.02171	2.4
109.02959	39.3
111.78234	1.4
121.02959	1.7
130.04205	5.1
130.22224	1.5
131.05038	2.8
132.02167	2.5
133.02972	11.8
134.03741	2.5
135.00900	2.0
135.04521	51.8
141.03455	2.3
141.16376	1.2
143.05006	14.8
145.02959	7.2
146.03767	3.1
147.04523	2.7
153.03488	1.6
155.05031	1.9
158.03651	1.7
159.04518	58.6
161.02434	14.8
161.06129	2.4
169.06555	1.7
170.03722	1.8
171.04523	34.6
173.02428	2.8
173.06087	1.5
174.03242	7.6
175.04008	8.3
176.01216	1.8
177.01978	1.3
177.05527	1.5
181.02867	2.3
182.03778	7.0
183.04512	5.8
185.06097	14.5
187.03993	5.4
189.05502	2.9
195.04555	6.7
196.05402	2.6
197.02406	2.7
197.06113	8.4
198.03255	29.1
199.04027	72.3
201.05562	2.3
203.03519	5.9
209.06163	3.2
211.04025	8.9
212.04825	8.3
213.05615	18.9
214.02782	1.9
217.05019	13.6
220.05276	1.4
221.06090	2.5
222.06798	1.8
223.04070	3.0
224.04855	2.9
225.05531	2.4
226.02756	5.7
227.03503	7.9
235.07657	1.5
237.05533	5.3
239.03491	6.9
240.04303	38.1
241.05083	100.0
243.03008	7.6
245.04456	2.3
246.06747	1.4
249.05484	6.8
251.03549	1.8
253.05106	3.0
257.04526	2.6
262.06482	2.4
263.07257	2.5
264.04086	1.9
265.05051	8.1
266.05539	1.5
267.02960	7.1
267.06512	2.4
274.06262	1.7
279.06580	6.4
281.04434	2.5
283.06131	45.1
285.03952	9.6
287.07190	2.8
290.06036	1.5
291.06601	11.8
293.04578	2.2
295.06100	1.7
307.06030	5.8
308.06931	13.2
309.04147	29.2
315.06665	1.7
316.07355	2.4
317.08203	5.6
323.05621	14.9
335.05627	34.4
335.09250	1.4
336.06436	2.1
357.07260	2.1
359.09210	2.5
401.10687	2.4
403.08295	31.0
445.09305	48.5
489.26917	7.4
507.95374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83697	1.1
54.54567	0.9
57.03455	1.8
59.01385	100.0
62.71133	1.0
64.34647	1.4
71.01389	18.9
73.02947	21.0
75.00859	2.1
76.57814	1.0
83.01405	5.5
85.02950	9.0
87.00892	2.2
89.02457	5.7
92.10769	1.2
93.03488	1.9
93.88522	1.1
96.96012	4.8
99.27652	1.1
101.02460	21.0
103.09404	1.1
111.21023	1.4
113.02455	11.7
114.08018	1.2
115.64587	1.1
119.03503	2.3
125.02448	2.2
129.01952	2.7
131.03447	1.6
133.02988	2.3
133.10208	4.8
135.04556	8.0
143.03517	1.7
149.04568	1.7
153.01910	1.5
159.02988	4.9
159.04550	1.3
159.32616	1.4
161.02443	10.0
161.04602	5.6
165.09254	1.8
167.64061	1.1
179.03571	1.5
195.05078	2.0
195.10207	1.7
221.06694	1.5
239.09210	2.5
241.04944	1.7
243.06606	6.4
269.04593	6.9
287.05676	7.2
309.44345	1.2
321.06171	1.9
449.10446	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	487.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28228	0.5
55.01902	3.3
57.03463	3.9
57.38712	0.5
58.00615	0.8
58.89208	0.5
59.01385	100.0
71.01385	29.4
72.99321	1.1
73.02943	20.2
75.00898	1.0
80.78082	0.5
83.01395	6.0
85.02950	12.4
85.03375	0.7
87.00891	2.5
89.02437	11.8
95.01395	1.0
96.90260	0.5
96.96002	6.5
97.03015	0.6
99.00900	2.6
99.04551	0.7
101.02444	23.5
101.03093	1.0
109.02930	0.9
109.06689	0.9
113.02452	10.7
119.03540	4.0
121.06598	3.1
123.08161	2.4
125.02482	1.4
129.01878	0.7
131.03430	0.7
135.04543	0.9
135.42822	0.6
143.03491	0.7
161.02483	1.4
161.04588	2.7
176.28958	0.6
177.12901	4.1
195.05200	1.3
195.13914	4.6
206.04919	0.6
221.11859	6.2
239.12810	1.3
247.13437	0.7
265.14758	0.6
302.75198	0.7
357.19281	4.3
383.17258	0.7
401.18213	17.5
443.19342	82.7
444.19601	1.0
487.31073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82682	1.3
55.01899	1.7
56.88910	1.3
57.03459	2.6
57.06379	1.2
58.00613	3.0
59.01385	100.0
62.14668	1.6
64.13225	1.3
69.03471	7.8
71.01377	67.8
72.99315	2.1
73.02943	15.5
75.56457	1.4
76.57492	1.4
81.03458	6.8
83.01418	9.7
85.02955	13.9
87.00884	2.1
89.02443	74.0
97.02958	9.6
99.00875	3.1
101.02448	15.8
106.16221	1.9
113.02444	12.2
115.04008	3.7
115.70457	1.4
121.41828	1.5
125.02441	27.6
131.03516	8.6
132.05780	2.0
132.41107	1.6
133.03024	2.1
133.06590	51.8
133.07526	2.9
134.03706	2.6
135.04535	11.0
143.03474	2.9
149.04526	17.6
161.02422	9.8
161.04491	2.0
179.03499	3.1
191.05602	8.0
203.03635	1.9
221.15469	6.6
232.09721	1.5
233.06731	15.1
265.14404	8.2
293.08856	56.9
427.15970	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	487.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03453	0.4
59.01386	2.7
71.01376	1.9
72.99311	0.2
73.02957	0.9
75.00871	1.7
83.69305	0.2
85.02951	5.0
87.00876	24.4
89.02460	0.3
95.01459	0.3
96.95992	0.7
99.00880	0.4
101.02448	1.0
104.99096	0.2
105.03497	0.4
108.84496	0.2
109.02985	0.9
113.02457	11.5
115.01882	0.2
118.14952	0.2
121.02986	1.0
123.04525	1.1
129.02005	0.7
132.02205	1.7
133.02963	34.0
134.03719	1.4
135.04535	20.0
137.02458	0.3
147.04532	0.3
149.02425	1.6
149.06070	0.2
150.03352	0.2
153.02040	0.2
159.04521	0.3
161.02460	100.0
162.02811	1.0
163.04057	0.3
174.03224	0.3
175.04045	0.3
175.07629	0.4
177.01945	4.5
177.05586	0.4
179.03520	15.9
187.04144	0.2
193.04970	0.2
195.05058	2.7
198.20210	0.2
201.09161	0.2
203.03537	2.4
203.07195	0.3
221.04543	0.9
233.04686	0.2
251.05798	0.3
258.92697	0.3
265.10657	0.2
271.06281	0.4
281.06708	1.2
323.07767	16.4
341.08871	5.3
357.08344	1.1
411.09412	21.9
421.74994	0.2
437.10950	4.8
451.12277	0.3
455.11987	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	487.1462
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
55.31344	0.2
57.03453	0.5
59.01381	1.8
59.96518	0.2
60.47166	0.2
61.75865	0.2
64.41499	0.2
69.84679	0.2
71.01391	1.3
73.02966	0.5
75.00903	0.2
75.21862	0.2
76.56654	0.3
85.02952	5.2
87.00870	25.4
89.02472	0.3
96.95962	0.3
101.02451	0.6
105.03456	0.3
109.02961	1.0
113.02443	12.4
117.03481	0.5
118.48859	0.2
122.89810	0.3
128.53220	0.3
132.02211	1.8
133.02951	33.1
134.03745	1.3
135.04524	17.4
136.92415	0.2
137.02475	0.3
141.61638	0.2
153.01848	0.3
161.02446	100.0
162.02814	0.5
175.04001	0.4
177.05531	0.4
179.03490	13.2
183.70015	0.3
189.05698	0.4
195.05095	0.4
203.03499	2.0
211.84491	0.2
221.04538	0.6
270.35770	0.2
281.06668	0.6
323.07776	15.9
341.08792	5.8
411.09381	21.7
412.09705	0.4
437.10959	4.2
455.11993	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	487.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98227	0.6
59.01390	4.6
71.11893	0.6
74.65314	0.8
76.69336	0.7
92.10828	1.0
109.02966	5.6
117.03428	0.8
130.04230	3.3
131.04996	5.8
133.02931	1.1
134.03874	0.8
135.04518	22.2
141.03479	0.8
143.05052	0.9
158.03754	1.0
159.04521	67.6
161.02429	4.6
171.04408	0.9
174.03169	4.9
175.03877	1.9
185.06142	3.7
187.04097	0.8
191.05618	0.9
196.05287	1.3
197.06056	1.2
199.04044	3.4
201.05479	0.9
203.03546	11.9
209.06059	1.7
213.05608	2.9
215.07048	1.1
224.04825	1.2
227.07233	5.6
237.05591	1.7
239.07170	3.5
241.05064	4.7
244.03786	1.1
245.04582	0.9
251.07373	1.1
253.04996	1.4
255.06667	9.5
263.07202	5.0
264.04184	0.8
265.05130	4.6
266.05878	2.7
279.06537	3.1
282.05374	5.8
283.06140	100.0
284.06485	0.8
289.04959	1.4
291.06641	1.0
307.06131	9.6
325.07242	3.1
333.04037	1.1
333.07855	1.2
351.05170	17.6
365.06870	0.9
401.10385	1.6
420.98227	1.1
425.10492	0.9
443.11395	3.7
449.27863	0.8
487.10410	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	485.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02179	3.5
56.85018	3.3
59.01384	100.0
73.24378	4.0
96.22955	4.7
116.27442	4.3
119.65768	4.2
129.09212	24.5
141.09180	7.8
145.06195	4.5
180.35358	4.6
209.11761	15.9
214.14507	4.3
221.11899	4.9
235.13425	6.3
315.19788	19.0
333.20715	56.8
351.21780	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96550	0.5
52.27307	0.5
52.65810	0.5
52.66954	0.4
53.82966	0.4
59.01385	7.5
59.01616	0.5
61.20887	0.5
61.98854	1.0
71.01392	1.2
77.67458	0.5
88.48557	0.5
91.61762	0.5
93.00701	0.7
96.96017	1.4
101.02515	0.7
109.02938	4.8
130.04248	3.6
131.05048	6.0
133.02975	2.7
134.03752	1.4
135.04526	25.3
141.03477	1.3
143.05060	0.9
146.03766	0.7
147.04530	4.3
149.06085	0.7
158.03851	1.2
159.04523	57.3
161.02484	4.1
174.03217	6.1
175.04053	2.5
183.08122	1.1
185.06097	4.8
191.03673	0.6
193.06625	1.0
196.05409	1.1
199.04059	3.1
201.90483	0.8
203.03554	11.9
207.08040	0.6
209.06160	3.5
210.06787	0.8
211.04010	0.7
211.07680	0.8
212.04701	1.2
213.05659	3.8
215.07246	1.1
223.04074	1.2
227.07199	8.9
233.06122	1.0
237.05664	5.5
238.06479	1.3
239.03592	0.7
239.07097	3.2
240.04358	1.4
241.05089	4.0
244.03850	1.3
245.04388	0.8
253.05093	1.4
254.05862	2.9
255.06659	9.6
263.07129	4.4
264.04300	1.1
265.05026	6.0
265.56424	0.8
266.05893	3.3
279.06735	1.3
281.04660	1.3
281.08197	0.9
281.57574	1.0
282.05368	7.5
283.06149	100.0
290.05905	0.9
291.06735	0.9
307.06158	11.1
309.04181	3.3
321.07855	1.1
325.07272	2.8
333.07584	2.4
351.05121	15.9
401.10440	3.6
412.55316	0.8
443.11688	2.7
487.10040	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	485.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
56.47430	0.3
57.03458	0.5
58.00605	0.4
59.01392	58.6
60.99323	1.3
69.03471	1.7
71.01386	29.4
71.05026	16.3
71.67896	0.3
72.99320	0.8
73.02950	41.8
75.00880	0.7
78.95985	0.3
83.01386	8.0
85.02960	4.1
87.00892	0.6
89.02422	0.5
93.03467	1.5
95.01434	0.4
97.02957	2.1
99.00877	0.4
101.02444	17.5
105.03455	6.7
107.05031	1.5
111.21907	0.3
112.69727	0.3
113.02444	6.1
117.03465	0.6
119.05030	0.7
121.02953	28.8
123.04506	5.6
125.02428	2.7
129.28897	0.3
133.02960	1.8
134.03741	20.9
135.04532	1.8
143.03503	2.0
145.02969	0.6
147.00827	2.2
147.04515	1.7
147.08136	0.3
149.02455	3.0
149.09698	3.5
155.03522	1.7
159.04465	0.4
160.01683	1.9
161.02454	100.0
162.02814	0.6
165.01955	0.8
177.09203	4.1
189.01952	20.1
203.03685	0.6
203.05663	1.7
219.03009	5.9
221.08215	56.2
222.08478	0.4
231.02980	1.3
240.35175	0.4
245.03270	0.4
287.22083	0.4
297.64725	0.4
351.07687	0.4
449.27673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.9
59.01390	100.0
60.44206	3.1
71.01385	48.5
73.02960	61.0
83.01424	14.5
85.02977	2.9
87.00941	5.1
87.99505	2.3
89.02452	5.7
101.02448	45.5
105.01972	4.6
108.03487	2.6
113.02474	3.6
121.18824	2.6
125.09703	3.2
131.03468	2.8
132.98235	4.3
135.04492	6.2
137.02376	3.2
159.04547	13.2
161.02484	3.3
173.06068	3.5
174.99332	5.4
175.07756	4.4
175.14940	5.6
197.66907	2.6
201.05653	5.0
213.05621	3.2
219.13869	28.2
237.14932	34.8
241.05049	6.1
243.06622	74.7
282.81186	2.9
337.57278	3.1
361.73105	3.1
399.20419	10.2
441.21304	84.5
449.14969	3.2
485.14841	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	485.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24687	0.3
51.29758	0.3
52.47976	0.3
55.01887	0.6
55.49017	0.3
55.61378	0.3
57.03452	2.2
59.01391	3.0
59.64914	0.4
71.01399	1.9
72.99304	0.5
73.02953	0.7
75.00862	7.9
83.01407	0.4
85.02946	14.1
87.00862	5.6
89.02450	0.6
93.03391	0.5
97.02944	0.8
97.06594	6.7
99.00881	0.6
101.02448	0.9
105.03461	0.6
106.04238	0.4
109.02933	0.9
129.01955	0.7
133.02972	6.0
134.03737	100.0
135.04530	9.9
137.02426	2.0
139.04045	0.5
159.03012	0.8
159.04483	0.8
161.02432	2.1
173.06146	0.5
177.01918	3.9
177.04062	7.7
178.02713	16.5
179.03479	0.7
201.05585	0.6
231.10338	3.6
241.04826	0.5
243.06682	6.7
251.11301	0.5
275.09296	8.4
275.83966	0.4
287.64874	0.4
307.11920	54.1
308.11932	0.5
485.17023	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	485.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71645	0.5
52.85099	0.5
54.97554	0.5
55.01879	0.9
55.35062	0.7
57.03459	5.8
58.82098	0.6
59.01382	7.1
60.99307	0.5
62.88000	0.6
71.01376	4.5
72.99283	0.8
73.02960	1.5
74.02490	0.8
74.07696	0.5
75.00869	15.2
83.01430	0.7
84.02154	0.6
85.02944	26.6
87.00872	6.6
89.02451	1.1
95.38593	0.6
96.96025	0.9
97.02946	3.6
97.06579	3.4
99.00850	0.8
99.05653	1.4
101.02447	1.3
105.03459	1.6
106.04282	1.0
109.02967	4.5
113.06081	13.1
117.02007	0.7
121.02972	1.5
128.03523	3.7
129.01930	2.8
131.70412	0.8
133.02962	26.2
134.03738	95.9
135.04518	15.5
137.02443	17.9
139.04048	7.5
140.61844	0.7
143.04637	3.8
147.64348	0.6
150.03224	1.6
160.01630	3.0
161.02431	2.4
161.06262	0.6
162.03192	4.1
163.04063	0.6
166.39671	0.6
177.01924	25.0
177.04036	14.3
178.02719	100.0
179.03458	9.5
195.16408	0.7
213.05606	0.8
225.05371	0.7
231.10257	6.7
241.05090	3.5
243.06647	0.9
251.11249	0.9
272.08844	3.1
275.09302	29.6
307.11911	17.2
360.32526	0.7
375.08725	0.9
445.05463	0.8
485.11700	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	485.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.1
57.52727	0.9
59.01384	39.6
62.69662	1.0
62.89106	0.9
64.71568	0.9
65.00336	2.2
70.18438	1.1
71.01376	11.6
71.05029	0.9
73.02943	38.1
75.00864	1.6
80.02480	1.0
81.67926	1.1
83.01415	4.3
85.02958	6.7
87.00876	1.3
87.04507	35.6
89.02452	2.2
89.06078	61.4
89.46588	1.0
92.10173	2.3
93.03460	5.9
101.02441	8.7
105.03452	2.6
107.01398	6.2
109.02949	6.3
109.03640	1.3
113.02463	1.9
114.02706	1.1
119.03502	1.2
121.02953	65.5
123.04504	6.8
125.02431	5.1
129.01929	1.2
133.02942	10.6
134.03694	1.3
135.04509	7.2
137.02415	1.2
137.28807	1.1
145.02956	2.0
149.02441	2.0
150.03249	4.8
151.00378	21.6
151.03989	5.5
152.01120	4.8
153.01952	2.1
160.01672	4.8
161.02454	100.0
162.02794	1.5
175.04050	1.3
178.99913	4.6
179.03481	2.6
187.07642	5.1
189.01973	28.5
191.05624	27.6
195.03133	1.5
195.05095	2.6
203.03531	1.6
204.11555	4.7
219.03011	1.9
219.13948	2.3
231.03024	1.3
231.10191	1.8
237.07721	65.4
241.05228	1.9
243.06644	1.1
243.63658	1.4
251.11285	1.3
257.08023	1.7
263.12985	10.8
285.04053	13.2
303.05121	6.0
327.05179	1.1
449.10898	9.9
467.15945	4.0
480.19217	1.2
485.16589	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	485.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81384	0.3
55.01879	0.4
57.03443	0.3
59.01385	5.3
67.90730	0.3
71.01375	3.8
73.02950	0.4
75.00874	2.8
75.01907	0.4
78.95924	0.4
83.01392	0.4
85.02949	1.8
87.00877	4.0
89.02460	1.4
96.22523	0.3
96.95994	17.1
96.96953	0.7
99.00881	1.6
101.02437	1.5
101.06075	0.5
109.02988	2.5
111.00871	0.4
113.02427	1.6
117.03437	0.6
125.02427	0.5
129.01941	1.4
132.02202	1.7
133.02946	37.5
134.03735	1.8
135.03468	0.7
135.04515	20.8
137.02420	0.6
146.03764	0.4
149.06073	1.3
158.03772	0.6
159.04459	0.6
161.02441	100.0
162.02791	0.6
172.05232	0.4
173.06050	1.4
175.04013	0.8
177.05547	2.2
179.03496	11.8
187.07619	5.0
191.05592	0.8
195.05133	4.6
198.36520	0.4
201.05533	0.7
201.97035	0.4
202.06372	4.3
203.03496	4.8
203.10890	0.4
213.09216	2.3
221.04553	2.5
231.10252	5.6
275.09265	5.4
281.06625	1.9
323.07745	0.3
329.06934	0.5
341.08685	3.1
365.08823	1.2
395.10144	0.5
453.10291	28.1
454.10693	0.7
458.61407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.7
59.01378	6.4
63.30703	0.6
66.01293	0.6
71.01402	4.6
74.41662	0.8
75.00867	10.2
75.01236	0.6
76.58119	0.7
77.78129	0.7
81.03461	9.3
83.01405	1.7
85.02976	2.8
87.00872	5.9
89.02449	1.2
93.03464	1.7
95.01408	0.7
95.05040	4.1
96.96006	19.2
96.96600	1.0
97.02968	1.6
99.00900	3.8
99.04514	11.7
101.02475	2.9
104.11455	0.8
109.02977	4.8
111.00931	1.3
111.04589	0.7
113.02490	1.0
117.03455	11.5
121.02943	0.9
123.04510	5.6
125.02441	26.3
129.01942	5.5
132.02159	1.0
133.02957	35.9
134.03764	1.0
135.04526	19.0
137.02461	5.9
139.04050	2.7
142.23874	0.6
149.42567	0.7
159.02979	3.5
159.04442	1.0
161.02454	100.0
167.03500	66.2
171.79568	0.7
173.75398	0.8
177.05595	2.9
179.03496	11.9
187.07629	7.5
191.05673	1.0
195.05113	23.3
197.04604	13.3
197.06210	1.4
198.06776	0.7
201.05559	1.4
202.06406	5.0
203.03514	6.4
213.09238	9.6
221.04622	1.5
231.10345	12.4
235.02538	3.7
275.09204	5.2
281.06891	1.0
287.07700	2.6
293.44104	0.8
323.07764	0.9
329.06686	23.9
359.07761	1.6
422.17395	0.9
449.11038	8.2
453.10330	32.7
461.28711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.0
71.01398	2.5
75.00882	1.4
79.02801	1.1
79.77387	1.0
85.02963	2.6
87.00874	1.5
93.03462	2.5
108.02161	1.6
109.02953	44.7
111.64174	1.1
121.02941	2.0
128.96344	1.4
133.03008	4.1
134.03729	6.2
135.04512	18.1
136.65469	1.2
159.04535	11.4
159.63000	1.2
161.02444	3.0
170.45482	1.5
171.04535	2.7
172.05307	2.8
173.06053	6.0
177.04097	2.9
179.03473	2.0
183.04527	2.8
185.06197	8.8
191.05597	17.2
195.04448	2.4
196.05266	5.5
197.06128	11.8
199.04019	12.8
201.05545	6.3
209.06152	1.9
211.04018	2.1
212.04807	6.1
213.03822	1.7
213.05644	27.2
214.06354	2.0
224.04739	6.4
225.05576	5.8
228.04391	1.5
229.05046	8.0
235.07520	1.7
240.04202	6.5
241.05099	69.2
242.05888	11.8
243.06654	39.7
247.07602	1.9
249.05591	1.7
253.05165	9.2
255.06563	1.9
259.07556	1.3
263.07019	1.4
265.05048	5.7
278.05841	1.9
279.06641	2.3
281.08234	1.4
289.08490	3.8
290.05646	1.4
291.06522	5.9
295.09885	1.9
305.08148	6.4
307.09772	6.3
313.08801	1.3
315.06662	2.8
329.08136	2.7
331.09827	2.0
333.07568	7.1
345.07553	1.9
357.07614	6.8
361.07297	2.5
362.08084	2.3
362.18958	4.8
363.08713	5.2
375.08752	55.8
388.63898	4.6
401.10370	1.8
485.12411	100.0
486.12756	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83131	0.4
53.48798	0.5
64.91267	0.4
75.87874	0.5
78.95908	20.5
91.77571	0.5
96.96989	1.1
145.96054	0.5
152.99600	28.1
157.19316	0.5
171.00587	0.7
201.34032	0.5
220.63203	0.5
227.03366	1.8
245.04225	0.8
253.78706	0.6
255.23318	100.0
256.23569	0.6
483.27319	38.9
484.27478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24940	1.1
93.03439	1.2
101.18429	1.1
106.50652	1.2
108.02171	1.4
109.02950	40.4
110.33701	1.1
121.02969	1.8
134.03723	2.2
135.04501	14.8
147.04521	2.5
155.05058	1.2
159.04498	22.5
171.04547	2.6
172.05209	1.7
173.06041	5.0
175.07611	1.9
177.03957	1.3
181.06641	1.5
183.04541	1.4
185.06061	11.2
187.07542	1.2
191.05560	1.6
195.04588	1.9
196.05315	4.3
197.06143	12.3
199.04007	11.4
201.05550	9.1
209.06073	1.2
211.03992	2.1
212.04721	2.7
213.05615	26.0
214.06418	1.4
220.56529	1.1
223.03987	2.1
224.04807	2.3
225.05634	6.2
227.03532	1.3
229.05008	7.2
240.04263	4.9
241.05089	74.3
242.05843	10.0
243.06607	38.8
251.03485	1.7
253.05103	7.3
255.06528	1.5
263.07318	2.0
264.04242	1.5
265.05023	6.5
265.08826	1.6
277.05386	1.5
277.08652	1.7
278.05603	1.8
279.06546	1.9
287.07294	1.4
290.05948	1.5
291.06595	6.2
292.07315	2.1
305.08173	4.2
307.09824	7.0
329.08109	1.5
331.06088	2.0
331.09613	2.0
333.07715	5.7
345.07797	2.2
349.07260	1.6
357.07819	6.8
361.07199	1.7
362.07996	1.9
363.08936	2.6
375.08789	45.6
467.11334	1.5
485.12454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68428	0.2
66.47717	0.2
66.78509	0.2
78.95907	7.6
78.96322	0.3
96.96990	0.5
103.61848	0.2
110.63388	0.2
113.97160	0.2
118.45501	0.3
130.62863	0.2
141.36584	0.3
152.99596	11.8
164.98283	0.3
171.00641	1.1
172.59766	0.2
227.03328	1.7
239.08205	0.3
245.04321	0.9
255.23326	100.0
256.23663	1.7
293.89716	0.2
345.12604	0.2
388.52307	0.3
483.27341	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04536	2.0
55.01885	3.5
55.71242	2.1
57.03460	2.4
59.01387	77.3
61.98812	2.0
62.57854	2.3
69.44360	2.1
71.01385	47.7
73.02949	25.3
76.07859	2.1
78.95903	21.4
83.01398	14.6
85.02959	25.3
87.00898	3.4
88.75445	2.5
89.02454	14.4
95.01395	3.1
96.96020	9.3
99.00899	5.8
101.02435	46.7
109.02961	4.8
111.00875	2.9
112.35985	2.2
113.02467	21.0
119.05031	11.9
123.04502	2.7
123.48386	3.1
124.33598	2.3
125.02400	4.4
131.03514	4.1
132.48332	2.4
135.04478	3.3
135.50346	2.5
145.02876	2.7
152.99597	40.7
161.02440	4.6
161.04573	11.7
167.03470	2.7
197.91008	4.1
211.04007	14.9
235.13483	2.6
239.03397	3.6
240.04448	9.0
241.04861	3.6
291.18182	41.7
327.05161	3.5
360.43378	2.5
423.22543	100.0
483.10999	3.2
483.23636	13.7
486.12338	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	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42682	1.3
55.01894	6.6
57.03465	3.7
59.01386	48.3
63.72358	1.1
69.03487	1.8
71.01379	47.5
72.07088	1.3
73.02942	27.7
73.03306	1.8
74.70495	1.2
83.01379	13.8
85.02956	23.6
87.00920	2.5
89.02458	7.6
92.69671	1.4
95.01369	2.9
99.00902	9.9
101.02446	55.5
109.03018	1.6
111.00889	2.5
113.02444	19.7
119.05005	13.8
121.02949	1.8
125.02443	6.2
133.02939	1.9
135.04597	2.1
143.03528	3.6
152.99564	2.3
159.03059	2.2
161.02448	7.8
161.04568	13.1
170.46065	1.5
172.10680	1.6
219.06636	2.8
235.97377	1.7
291.18188	46.8
327.05203	1.9
423.22449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	35.5
61.10212	3.4
61.98840	20.6
64.61919	4.3
71.01407	19.6
71.78329	3.5
93.03492	4.3
95.05061	5.3
123.04548	9.9
166.70790	4.2
241.07518	4.6
249.38803	4.8
251.02267	7.7
265.07736	5.8
283.08640	24.2
293.03662	6.2
297.06592	17.5
307.08533	9.4
326.06842	43.1
336.08902	20.4
345.13965	20.9
354.10071	100.0
363.15018	42.9
405.15952	24.4
423.17377	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03451	3.6
59.01383	7.7
67.01891	0.5
69.15475	0.3
71.01383	4.5
71.37537	0.3
72.99330	1.2
73.02954	0.6
76.50874	0.3
79.47623	0.3
81.03458	0.6
82.31882	0.3
83.01409	0.7
83.05021	0.5
85.02962	13.6
85.03461	0.5
87.00883	16.8
89.02441	2.5
93.03461	3.6
95.83153	0.3
99.00874	1.2
99.04520	2.0
101.02438	5.2
103.00401	0.3
109.02977	0.7
111.00875	2.9
111.04527	1.7
113.02483	0.7
119.03506	0.7
127.04019	3.1
129.01936	4.5
129.05591	2.2
136.54041	0.3
137.02483	0.4
145.05040	0.5
147.02992	2.4
155.03505	0.6
171.02977	1.1
173.04546	2.1
185.05380	0.4
191.02081	4.7
191.05632	100.0
279.14368	0.4
291.07193	2.5
324.22571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.0
61.98809	1.1
64.19602	0.9
71.01388	1.1
73.02959	1.0
74.34925	0.9
79.80364	1.1
85.02995	1.2
91.38381	1.0
96.95995	11.9
109.02985	4.5
113.02444	1.4
117.03436	1.2
119.05025	6.9
123.04527	1.3
135.04523	1.3
151.00421	1.9
159.04549	2.0
161.02466	1.5
173.06073	1.5
183.04549	11.8
185.06039	2.3
187.03963	1.3
195.04472	2.3
196.05330	6.2
197.06119	2.3
199.03966	4.2
201.05499	1.9
211.04027	78.5
212.04843	14.8
212.12743	1.2
213.05621	10.0
223.04019	1.1
225.05603	1.2
239.03514	61.4
240.04301	100.0
241.05086	43.8
243.06644	7.6
266.27881	1.3
285.09305	1.2
291.06537	1.3
327.05038	1.1
343.06036	1.4
358.17419	1.1
361.07156	4.1
444.97491	1.1
483.10931	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77384	1.1
54.82069	1.2
58.00599	1.4
59.01384	93.6
60.99329	2.4
69.03465	1.5
71.01398	6.3
72.99306	35.3
75.00872	2.6
81.03468	2.1
83.05057	5.0
85.02958	16.4
87.00868	13.5
87.76301	1.1
89.02456	10.3
91.04008	4.5
92.10147	1.9
99.04555	6.0
101.02434	6.9
103.00412	2.5
105.01935	1.6
111.00902	7.8
111.04559	10.0
113.02459	17.7
113.50020	1.1
119.03508	12.7
120.62551	1.2
127.03988	2.6
129.01947	13.6
129.05585	42.0
131.03493	2.7
143.39102	1.2
147.03090	1.6
155.03516	18.1
171.02927	1.7
173.04523	7.1
191.01961	6.2
191.05630	100.0
282.70172	1.4
291.07196	12.2
398.28171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69484	0.5
52.13443	0.5
52.28581	0.6
54.58055	0.6
59.01397	3.4
92.10777	1.3
93.03488	0.7
96.96001	1.1
107.01404	0.8
117.73167	0.6
119.05042	3.0
124.25013	0.8
132.74130	0.6
133.02968	1.0
135.04524	0.8
137.03494	0.6
151.00375	1.3
153.01915	0.9
159.04478	0.7
167.05072	0.9
185.06169	0.9
187.04018	1.6
195.05023	0.9
201.09381	0.7
211.04015	1.2
227.03543	58.0
228.03822	0.8
229.04959	4.7
239.03384	1.2
241.05037	1.0
255.03032	84.3
256.03821	6.8
257.04568	1.4
284.03314	85.2
285.04068	33.3
327.05130	3.4
379.57706	1.0
418.62872	0.7
447.09415	100.0
451.45456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90599	0.6
64.34538	0.8
67.39301	0.8
78.95905	65.8
83.12582	0.8
92.10061	1.0
96.96949	6.0
102.24377	0.8
106.96001	0.9
117.46190	0.9
148.92064	0.8
150.98047	1.0
152.99608	87.6
171.00647	31.1
171.02106	1.5
218.88762	0.7
225.82617	0.8
227.03372	1.4
245.04349	100.0
246.01979	0.8
253.21765	50.7
307.18079	1.0
481.25790	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78278	0.9
63.32759	0.8
67.51405	0.8
76.76507	1.0
78.95895	69.7
81.33372	1.0
87.32127	0.9
96.96965	6.0
101.68723	1.0
105.83580	0.9
126.12225	0.9
146.45154	1.0
152.99586	86.1
162.55008	1.1
169.41026	0.9
171.00644	30.0
193.03021	1.2
215.34985	1.0
223.34106	1.1
227.03241	4.1
245.04329	100.0
253.21764	58.6
253.23956	1.0
274.99347	1.2
477.41913	1.2
481.25748	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54262	1.5
55.01899	6.0
57.03462	5.8
59.01386	43.6
60.89433	1.3
61.98845	1.4
69.03486	2.6
71.01384	66.5
73.02942	24.0
78.95914	6.6
83.01384	12.7
85.02949	36.2
85.03460	2.0
87.00874	3.6
89.02442	13.0
92.10799	3.0
95.01389	8.9
96.96944	1.9
97.02970	2.3
97.81231	1.6
99.00872	15.6
101.02426	45.4
112.17026	1.4
113.02444	22.7
115.04036	1.8
119.05028	5.7
125.02433	3.4
127.11272	2.7
129.01929	2.2
133.02969	2.2
135.04536	2.9
153.39531	1.6
159.03001	2.9
161.02441	3.5
161.04576	17.9
191.05717	1.6
197.91090	2.1
211.03970	2.4
233.06628	2.8
277.04291	2.3
289.16589	31.2
293.08636	1.8
323.07681	1.8
421.20847	100.0
422.21246	2.0
437.53693	1.6
440.19894	1.6
457.68317	1.6
481.28165	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.3
57.03452	5.8
58.00589	1.3
59.01387	73.6
60.99325	0.8
63.92281	0.7
67.01918	3.7
69.03485	2.9
71.01387	58.0
72.99321	2.5
73.02953	16.6
78.95924	4.6
80.18159	0.5
81.03475	1.0
83.01400	7.4
83.05009	0.9
83.20937	0.6
85.02965	27.6
85.03464	1.2
87.00878	8.1
89.02449	29.4
92.10809	1.5
93.03465	21.4
95.01396	3.8
96.96008	1.2
97.02966	3.3
99.00861	5.8
101.02445	36.5
109.02921	0.6
111.00885	4.0
111.04528	1.6
113.02459	16.9
115.04005	2.8
119.03471	0.9
119.05031	3.2
125.02435	4.6
127.11262	0.9
128.91457	0.6
129.01959	1.3
131.03503	14.5
131.26852	0.7
134.03746	6.6
135.04523	0.9
137.02434	1.1
143.03494	2.6
149.04601	5.7
151.13405	0.6
152.99625	5.4
159.03011	1.5
161.04565	9.1
173.04536	7.8
177.56337	0.7
191.05695	4.2
233.06694	0.9
277.04407	1.1
286.28833	0.7
289.16586	18.0
293.08957	2.7
421.20856	100.0
422.21304	1.2
449.14545	1.2
465.37317	0.7
481.11008	0.8
481.16812	5.3
498.74854	0.8
500.63596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20485	0.4
54.70252	0.4
55.44389	0.3
58.00606	0.4
58.44591	0.4
59.01388	5.1
71.01393	2.0
73.07741	0.4
89.02438	0.8
92.10776	1.0
103.04273	2.8
106.06625	18.0
110.02506	3.1
111.03286	0.6
113.02439	0.8
114.38804	0.5
118.06631	10.6
120.04558	0.8
120.08156	1.0
122.06094	0.7
134.06119	100.0
135.06464	0.8
136.07678	16.1
140.07173	7.5
140.11778	0.5
145.32529	0.4
146.06142	0.5
148.07666	1.0
162.05597	2.1
164.07133	0.8
174.05608	0.8
176.07205	0.5
176.68503	0.4
178.05099	45.5
180.05153	0.9
180.06670	18.2
190.80600	0.5
192.06662	15.9
194.08223	2.0
220.06171	10.9
222.07799	2.7
250.07098	1.0
259.19357	1.5
280.08163	4.7
282.09918	0.5
340.10364	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	480.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82718	1.2
59.01384	14.1
60.24205	1.3
61.98834	2.7
62.22928	1.3
71.01393	6.1
72.00909	3.1
72.43717	1.3
75.81721	1.3
89.02435	3.0
92.54109	1.4
96.95998	19.9
98.95619	2.9
101.02394	2.6
109.02947	51.8
113.02440	2.9
147.04501	11.0
149.02460	1.9
152.01175	6.0
153.01944	100.0
164.07208	20.3
167.03493	7.8
177.01961	12.3
195.02991	28.2
255.05109	20.9
315.07251	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.19578	0.8
71.58939	0.8
95.72526	0.9
112.56686	0.9
115.21034	0.9
117.03429	1.0
135.74254	0.8
145.02933	9.8
206.12474	0.9
398.69675	0.9
417.26550	7.1
437.42535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59294	0.4
61.98831	100.0
80.10464	0.5
92.65630	0.6
105.82413	0.5
106.44238	0.5
107.86736	0.5
119.16031	0.5
145.02940	3.8
271.22684	0.6
331.23541	0.5
359.12021	0.6
380.67072	0.5
417.26538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13862	0.4
54.32927	0.3
55.01888	1.2
57.03459	1.0
59.01387	12.7
63.70536	0.5
67.46360	0.4
71.01378	6.0
71.05028	4.7
73.02961	1.2
74.86327	0.5
76.06926	0.5
78.05244	0.4
80.97522	0.4
83.01382	0.6
83.57788	0.4
85.02959	1.0
87.00869	0.8
88.98808	0.7
89.02444	5.2
92.10058	0.8
93.03454	1.1
97.02934	4.7
97.06603	2.9
99.00877	28.4
101.02450	6.9
109.02956	2.2
109.06600	1.0
110.03768	0.9
113.02452	3.2
118.98077	0.5
119.03529	0.9
123.08137	2.2
123.16680	0.5
125.02443	0.7
125.09732	9.4
133.02971	0.8
135.04546	0.7
137.02438	0.8
142.02661	0.8
143.71063	0.6
153.01920	2.5
161.02417	2.6
161.04581	0.8
162.02803	1.2
163.11288	9.4
179.03616	0.9
181.12350	18.4
195.02983	2.5
197.11819	1.0
199.13380	9.7
207.10289	46.0
225.11346	68.6
236.77983	0.6
241.05075	0.6
243.12378	41.6
253.09229	0.9
317.16104	0.7
393.99139	0.5
411.06671	0.5
437.23917	0.6
461.20139	0.7
479.21371	100.0
480.22052	0.9
484.20572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36375	0.3
59.01381	7.0
59.01655	0.4
65.03980	0.5
71.01392	0.4
73.02950	0.6
83.01368	2.9
88.98808	0.4
92.83047	0.3
93.03423	1.3
96.29085	0.3
101.02461	0.5
107.05035	3.2
109.02956	3.3
113.02460	0.4
123.32973	0.4
125.02421	3.8
129.81186	0.3
133.03026	0.5
137.02448	29.1
138.03238	14.5
149.06099	1.4
151.04013	7.0
153.07076	0.8
155.05070	0.4
156.05771	0.5
161.02451	0.6
163.59229	0.4
166.02699	9.8
166.04037	0.6
167.08705	1.5
169.06604	4.6
171.06816	0.4
171.08194	1.3
187.07631	1.7
191.05731	0.4
193.06627	0.6
193.86485	0.4
195.08145	6.9
195.33369	0.4
197.06226	0.7
211.07713	2.8
231.16133	0.3
237.05539	1.9
239.07175	20.3
257.08218	100.0
258.08527	1.9
281.50711	0.4
289.79337	0.3
299.18719	0.5
317.19614	1.9
443.44113	0.5
479.24628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68983	0.5
55.01888	0.8
57.03462	0.6
58.89601	0.4
59.01387	100.0
61.98851	0.6
71.01384	13.2
73.02938	3.9
77.82481	0.5
83.01396	1.0
83.06156	17.4
83.06627	0.9
85.02963	7.8
85.03410	0.7
87.00856	0.6
90.30426	0.5
95.01368	0.8
99.00868	1.2
101.02457	7.7
105.01879	0.6
113.02416	5.2
129.01903	0.5
159.02946	0.7
161.04520	3.8
277.52029	0.5
317.17200	9.5
347.73709	0.5
359.18106	3.4
374.37109	0.6
391.21912	0.5
485.80832	0.6
494.09476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32511	2.0
57.69147	2.2
59.01381	15.9
62.97336	2.1
78.54348	2.7
78.82713	2.0
79.25619	2.0
103.67236	2.2
137.24831	2.3
208.97498	2.4
252.05930	2.4
373.34750	9.5
397.34769	2.6
415.35785	52.3
417.33826	61.2
477.35925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99012	0.4
55.01886	3.7
57.03453	2.9
59.01388	100.0
65.68364	0.5
71.01383	27.2
72.99308	1.3
73.02937	6.9
75.00877	0.8
76.72444	0.5
83.01378	5.2
85.02952	11.9
87.00837	0.6
87.04513	0.8
89.02447	14.2
93.57178	0.5
95.01399	2.4
96.18436	0.5
99.00875	2.9
101.02438	18.6
105.01936	11.9
113.02469	11.3
119.03493	6.2
131.03473	0.6
143.03522	1.0
159.02992	1.2
161.04550	13.7
171.10249	0.8
172.05296	2.8
179.05659	3.6
197.06149	0.6
199.04030	2.5
200.04828	0.9
227.03552	8.6
228.04240	2.7
255.19704	0.9
283.13394	11.2
301.14456	1.2
309.15036	2.3
311.12939	1.1
325.14474	0.7
327.15930	0.7
345.17258	0.9
353.13950	2.3
371.15070	14.5
372.15582	0.7
417.24997	42.3
418.25287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.40331	1.4
71.01384	28.9
72.99303	1.8
73.02966	6.7
83.01398	2.6
85.02955	12.2
88.98820	12.0
89.02434	17.2
91.10582	1.5
95.01362	2.2
101.02454	21.4
105.01893	2.6
109.02982	1.8
113.02441	12.3
119.03487	6.1
122.79675	1.7
135.04591	3.0
138.87032	1.6
161.02435	2.8
161.04587	15.7
179.05574	6.3
265.07895	1.7
283.13480	3.9
371.15253	3.4
417.25024	37.5
504.28018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1408
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
50.09678	0.4
51.35081	0.4
54.82622	0.4
59.01387	6.8
65.00338	3.1
67.10676	0.4
71.01388	0.7
88.98853	0.7
95.01392	3.5
97.02954	3.7
107.01389	0.7
109.02987	1.1
113.02448	0.7
119.05054	0.6
121.02952	6.0
122.72470	0.5
124.01672	1.2
133.02927	0.8
134.03743	20.4
135.04529	13.4
136.01682	1.0
138.03210	0.6
139.03999	1.2
149.06073	1.3
149.99593	1.2
153.01906	0.9
160.01694	0.7
161.02461	4.8
164.01138	1.2
165.01932	22.8
166.02522	0.6
175.04039	0.6
176.01216	0.9
178.02710	7.8
179.03482	3.5
187.03911	1.9
191.03525	2.8
195.03003	0.8
199.04047	1.0
210.01735	15.8
211.04012	0.6
213.05638	0.8
215.03473	0.9
239.03575	4.5
241.05070	3.0
254.05841	2.7
255.16141	0.6
257.04593	2.7
267.03098	3.7
272.06296	0.6
282.05368	16.4
283.06036	1.0
284.03241	1.0
285.04083	9.8
297.07706	37.0
299.05582	12.1
300.06412	16.9
315.08792	100.0
336.47049	0.6
383.17847	0.6
406.28497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.2
63.48705	1.0
71.01382	12.6
72.99321	5.6
73.02953	1.4
74.52377	1.0
75.00878	5.2
83.01372	1.1
85.02969	4.4
87.00888	1.3
89.02439	7.0
95.01407	4.5
101.02452	6.8
103.37144	0.9
105.01932	66.9
109.03001	1.5
113.02451	4.8
119.03517	1.4
120.18240	1.1
132.62994	1.1
133.02924	1.5
135.04541	2.3
148.05261	1.0
153.01973	1.8
160.05295	1.5
161.02452	4.5
161.04572	2.4
172.05318	14.4
173.06026	1.1
179.05655	1.0
183.04552	1.4
185.06062	1.8
187.04013	4.1
197.06120	5.6
199.04005	15.8
200.04816	9.3
201.05611	2.2
204.04295	2.2
211.04024	1.9
211.07823	1.4
214.06400	1.4
227.03506	43.6
228.04268	19.6
257.15503	2.2
267.13925	1.5
283.13409	66.4
293.46689	1.1
301.14514	16.4
309.15024	20.0
311.12875	12.4
325.14520	4.8
327.12479	3.6
327.16058	10.5
329.13873	6.1
345.13400	2.2
345.16974	8.6
353.14026	11.8
371.15018	100.0
373.26044	4.0
416.01831	1.1
417.25079	15.3
433.28137	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	477.1042
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
54.82002	0.5
56.08251	0.4
59.01372	4.8
61.84114	0.5
71.01383	2.6
78.40833	0.5
83.75807	0.6
85.02898	0.8
88.36667	0.5
89.02445	0.7
92.10742	0.7
95.01382	1.0
97.69985	0.5
99.25311	0.5
101.02445	3.0
107.05004	0.6
108.02168	3.9
109.02951	56.2
111.00891	3.4
113.02460	0.9
117.03452	0.7
123.00849	0.9
123.04522	1.2
124.01645	1.1
132.02179	1.0
133.02953	37.4
134.03699	2.4
135.03476	1.1
135.04518	29.2
137.02422	2.9
147.04539	3.2
148.05299	2.0
149.02414	0.8
149.06085	6.6
151.04051	2.0
152.01143	16.9
153.01941	71.0
158.03795	0.6
161.02448	100.0
163.04091	0.6
165.01959	1.3
174.03210	0.7
175.04012	16.2
177.05553	8.7
179.03508	14.4
195.02998	63.0
203.03525	36.0
207.06778	0.7
217.05154	1.0
221.04596	3.7
225.04106	6.3
233.04301	0.5
237.04285	0.6
245.04608	3.7
251.05595	0.7
255.05130	25.9
297.06140	2.6
306.36710	0.7
399.07272	2.0
417.08353	35.3
441.33148	0.6
461.86914	0.7
477.10437	58.0
478.10550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17657	0.2
55.01888	0.3
57.03449	0.3
59.01383	29.4
60.01717	2.2
61.01814	1.3
67.01920	0.3
71.01377	5.4
72.99310	0.3
73.02938	1.7
76.22955	0.2
81.03477	0.3
83.01389	1.5
83.05003	0.2
83.06917	0.2
85.02947	2.9
87.00916	0.2
89.02429	2.1
89.26266	0.2
91.01902	0.3
91.05528	0.3
95.01388	1.3
97.02975	0.3
97.79336	0.2
101.02435	3.7
105.03454	0.3
107.04983	0.3
108.02163	2.6
109.02959	55.9
111.00896	3.6
111.05791	0.2
113.02428	2.8
114.02723	0.2
117.03430	0.4
119.03517	0.4
119.05019	1.5
121.02937	1.3
123.00893	1.4
123.04528	2.8
124.01679	2.6
125.02435	0.4
129.03496	0.3
131.05014	0.4
132.02199	2.0
133.02963	40.0
134.03770	2.5
135.04529	36.4
136.04854	0.3
137.02432	2.0
139.00388	0.5
139.04019	0.5
145.02937	0.5
146.03709	0.4
147.04532	4.6
148.05313	1.9
149.02429	1.1
149.06097	7.7
149.07222	0.5
151.00334	0.2
151.04027	1.9
152.01166	17.5
153.01949	73.1
154.02255	0.3
158.03668	0.4
159.04523	0.3
161.02454	100.0
162.02885	0.5
163.04007	0.9
165.01944	2.6
166.33081	0.2
167.03505	1.1
173.06178	0.4
174.03227	1.8
175.04010	17.1
177.05582	7.4
178.02745	0.3
179.03502	16.3
189.05627	1.5
195.03006	60.6
196.03302	0.3
201.05634	0.5
203.03528	39.0
204.03667	0.3
207.03070	0.5
207.06609	0.3
212.09596	0.4
217.05110	1.0
221.04588	3.7
225.04062	5.9
229.10780	0.5
233.04596	1.2
237.04054	1.7
245.04570	3.3
251.05742	0.5
255.05138	28.2
279.05084	1.1
281.06760	0.9
297.06146	2.6
315.07446	0.4
323.07877	0.3
341.08826	1.7
371.20639	0.4
372.21182	1.1
373.21298	1.4
390.21994	0.9
391.22290	0.9
399.07098	1.7
417.08337	38.6
418.08444	0.4
432.23080	0.5
433.23569	0.5
459.09412	0.5
467.07416	0.2
477.10443	49.0
478.10587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84363	0.2
52.95819	0.2
53.41819	0.3
55.78482	0.3
58.24976	0.3
78.95899	6.3
88.74192	0.3
140.01175	2.4
152.99582	0.4
196.03831	0.7
214.04980	2.2
224.28955	0.3
261.22220	0.5
279.23318	100.0
280.23758	0.7
395.11505	0.3
427.53427	0.3
476.27933	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98861	2.0
72.24831	1.7
78.95904	20.9
105.98031	1.8
109.84604	1.9
140.01195	7.3
140.88649	2.0
154.34656	1.9
196.03825	9.4
279.23322	100.0
320.77032	2.1
326.90051	1.9
371.94235	2.1
476.27869	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	476.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48061	3.0
58.02981	14.7
60.77459	3.3
63.11821	2.8
71.01362	4.7
74.02473	40.3
78.04533	3.1
92.10595	4.5
96.95988	44.8
99.05609	25.1
112.04059	39.5
113.67004	3.2
115.00427	4.4
131.04631	14.8
133.01407	7.3
134.89493	4.8
135.04472	12.9
138.05609	4.0
143.04610	89.5
160.30051	3.4
177.03394	100.0
179.03546	4.3
195.05176	6.5
209.36438	4.5
356.09131	6.6
459.60379	4.0
476.13495	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03459	0.6
57.48362	0.4
58.74797	0.3
59.01386	100.0
60.01733	0.3
71.01380	10.7
72.99337	0.4
73.02942	4.3
83.01405	1.7
85.02945	5.7
87.00880	0.6
89.02446	5.3
92.10119	0.7
95.01372	0.7
96.95977	0.7
97.02965	0.3
98.95566	0.4
99.00892	0.8
101.02428	7.2
109.02950	0.4
113.02448	5.8
118.97073	0.3
119.03499	1.7
133.02922	0.5
135.04556	0.5
145.02962	0.5
147.04472	0.4
147.11771	0.4
153.01936	0.7
159.03032	0.3
161.02380	1.7
161.04553	1.3
179.03499	0.6
179.05556	0.4
195.69533	0.3
240.97499	0.3
371.20581	2.5
389.21777	7.2
431.23022	4.5
433.20316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.6
58.81924	1.1
59.01382	100.0
60.58143	1.0
61.97427	1.1
71.01374	39.8
72.99303	1.7
77.18078	1.1
83.01406	1.1
85.02944	9.7
87.00896	3.0
89.02438	51.4
92.10780	1.6
95.01362	1.7
96.95995	23.5
101.02431	20.9
113.02447	21.1
119.03497	16.4
131.03545	1.5
133.02956	7.3
134.89467	1.5
135.04521	11.6
136.04921	1.2
137.02452	5.5
143.03481	2.6
159.04518	2.0
161.02473	19.9
161.04581	5.5
161.06018	1.5
172.05334	1.7
173.06030	1.8
175.03984	2.0
177.24997	1.4
179.03432	2.0
179.03937	1.8
179.05617	28.4
189.05545	3.0
190.06366	29.9
205.08716	44.8
208.07506	2.9
235.09741	5.9
253.10779	14.0
358.57986	1.2
385.15015	2.0
415.16165	2.7
475.14709	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	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03451	0.5
57.17229	0.2
59.01384	100.0
65.60947	0.2
71.01380	11.2
71.05013	0.4
73.02939	3.2
73.05903	0.3
83.01400	1.6
85.02956	6.1
87.00883	0.6
88.98798	0.4
89.02451	5.2
95.01395	1.2
99.00867	0.7
99.01836	0.3
101.02435	7.9
105.30759	0.3
109.02958	0.3
111.00848	0.3
113.02446	5.7
119.03528	1.2
119.04996	0.5
125.02480	0.6
125.57719	0.3
129.27927	0.3
131.03481	0.4
143.03459	0.4
145.02933	1.3
152.24812	0.3
159.02943	0.3
161.02440	1.2
161.04565	2.0
163.03995	0.4
165.96381	0.3
179.94815	0.3
182.03572	0.3
187.04028	0.4
250.92578	0.3
308.51584	0.3
371.20697	3.6
389.21906	6.9
415.16037	2.8
431.22922	5.6
468.93484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37495	0.2
59.01387	0.5
65.01041	0.2
71.01385	21.8
72.99309	4.8
73.65085	0.2
75.49912	0.2
87.00870	0.4
87.35744	0.2
89.02460	3.9
93.98794	0.2
105.30159	0.3
110.78762	0.3
110.97216	0.2
115.00372	62.6
116.00693	0.3
119.64064	0.2
122.31293	0.2
128.54486	0.2
133.01428	100.0
166.04878	0.3
231.48117	0.2
475.77948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22483	0.4
59.01386	58.1
59.80426	0.4
65.52046	0.3
71.01393	3.1
72.17716	0.4
73.02937	0.6
85.02967	2.1
89.02446	0.9
92.10797	0.9
96.96030	0.4
101.02433	0.9
109.02943	0.9
113.02429	1.8
113.84610	0.4
121.02970	0.5
123.00878	0.6
135.04556	1.0
145.02971	1.0
146.03754	63.9
147.04521	1.0
161.04712	1.2
161.06079	19.2
163.03987	1.0
164.04800	42.9
179.07147	100.0
217.12318	2.3
280.03497	0.5
415.16193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
63.02400	3.9
63.02700	0.3
65.00328	11.0
68.99840	0.2
72.00201	0.2
83.01388	6.9
88.98842	0.3
93.03457	10.9
97.02917	0.3
107.01395	20.9
108.02213	0.4
109.02912	0.4
115.14624	0.2
119.05023	64.3
120.05328	0.4
121.03026	0.4
125.02435	1.9
133.02893	0.2
136.01678	1.0
137.02487	0.4
143.04982	0.3
145.02971	0.9
149.02411	0.2
151.00380	59.8
152.00835	0.3
161.02393	0.2
161.06117	0.4
164.01173	1.3
165.01910	2.9
169.01442	2.4
175.00385	1.2
177.01952	7.8
185.06039	0.8
187.04041	0.9
193.01437	1.3
227.07220	0.9
229.05113	0.3
253.05164	0.3
271.06158	100.0
272.06522	1.5
295.06345	0.4
313.07132	1.5
415.10605	1.0
431.26648	0.3
475.12418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22820	1.3
59.01383	23.3
67.01894	8.1
71.01388	12.9
78.95915	2.0
79.95725	2.5
87.00873	10.0
89.02443	8.0
96.96005	7.5
98.95573	3.4
101.02427	4.1
112.98802	4.8
113.73807	1.9
115.00352	3.6
119.03584	1.8
119.05023	68.0
133.01465	2.4
139.00371	7.6
149.00896	3.3
163.04015	100.0
182.99570	3.8
269.21185	2.2
271.09058	2.3
295.04733	19.5
295.10263	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	473.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.18321	0.3
60.46535	0.3
71.01399	2.4
72.99303	0.3
73.02971	0.6
75.00871	0.4
85.02972	0.8
87.00883	0.8
96.96007	1.6
101.02431	0.8
113.02453	1.3
133.02954	0.7
134.03691	1.6
135.04485	2.3
136.44833	0.3
151.04021	0.7
153.01923	0.4
177.01973	0.5
178.02696	1.9
179.03423	0.8
187.07613	0.4
189.10364	0.6
238.66225	0.5
252.22241	0.3
268.03763	0.8
269.04617	0.4
273.17160	1.7
275.09106	0.4
303.39673	0.4
357.12726	0.4
371.21042	0.4
382.97726	0.3
473.10626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62333	0.5
57.48175	0.5
59.01127	1.0
59.01378	7.9
60.17845	0.7
61.98832	90.7
62.12014	0.5
62.87356	0.5
71.01385	3.4
85.02963	1.0
89.02454	1.4
94.03119	0.7
108.02198	3.0
109.02958	16.3
111.00851	1.2
113.02460	1.3
120.08203	0.8
123.04494	1.4
137.77100	0.7
151.04036	1.4
152.01155	16.4
153.01942	33.1
167.03540	0.9
185.02405	1.1
195.02998	75.2
223.03238	0.9
225.04152	1.3
245.02708	0.8
255.05138	100.0
256.05417	0.8
279.03040	1.2
280.03720	1.0
315.07245	13.9
407.03909	0.7
411.09509	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	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72082	0.9
54.92418	0.8
59.01399	3.3
61.98841	4.8
76.57552	1.0
78.95888	11.0
92.10749	1.2
115.72943	0.8
122.95279	0.9
136.56671	0.9
140.01154	3.1
152.99631	1.3
196.03793	1.0
214.04871	1.9
268.36539	1.0
277.21756	100.0
281.95505	1.2
342.29288	0.9
474.26273	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	473.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45113	0.3
59.01384	100.0
66.52029	0.2
71.01387	2.9
72.72868	0.2
72.99348	0.3
73.02955	1.4
75.00872	0.5
81.74776	0.2
84.60446	0.2
85.02950	1.9
87.00870	0.2
89.02425	2.0
99.00887	0.3
101.02411	1.9
109.02981	0.3
113.02458	1.5
133.02965	0.6
134.03755	2.0
135.04454	1.2
136.04173	0.3
137.02467	0.4
161.02373	0.4
161.04552	0.4
178.02655	0.3
179.03430	0.4
187.07629	1.2
225.05592	0.2
257.08255	1.0
275.09341	0.4
277.09778	0.4
283.06168	1.4
295.10983	0.3
311.05914	1.7
373.08130	0.2
387.20422	1.2
413.22052	0.3
429.21701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42725	0.2
57.40000	0.2
59.01382	100.0
63.65817	0.3
69.03429	0.3
71.01387	1.6
73.02930	0.4
75.00864	0.5
79.91997	0.3
85.02953	1.3
96.95992	1.5
97.02944	0.3
101.02428	1.3
102.21992	0.3
113.02424	0.5
133.02905	1.4
134.03755	2.2
135.04507	1.2
137.02435	0.4
139.03920	0.3
148.04045	0.3
161.02483	0.3
177.01909	0.5
178.02586	1.4
179.03212	1.3
180.03178	0.5
212.24455	0.3
212.66933	0.3
268.03806	3.3
269.04565	0.4
273.17032	0.4
275.09375	0.3
283.05884	0.3
289.11673	0.3
378.73471	0.3
473.10645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73019	0.3
53.79260	0.3
59.01385	100.0
61.98829	5.6
63.40199	0.4
68.05120	0.3
70.32311	0.4
72.42267	0.3
78.95917	2.5
106.31326	0.4
152.99629	4.0
158.07545	0.4
313.36670	0.4
469.25394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.4
60.26506	0.3
61.98841	1.5
78.95903	63.2
79.91134	0.3
79.91639	0.3
94.91943	0.4
96.96957	7.8
104.76425	0.4
119.05029	0.7
141.01689	0.4
150.98048	2.7
152.99599	100.0
171.00636	3.3
172.01666	0.5
200.00989	0.4
256.00168	6.4
271.02386	0.8
291.19858	0.6
309.20605	0.6
331.18777	2.6
376.06021	0.8
391.08261	3.8
473.12396	0.6
473.23141	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	473.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57631	0.4
55.01899	5.3
57.03455	3.6
58.10336	0.4
59.01390	100.0
71.01388	30.2
72.99318	1.0
73.02947	12.3
75.51152	0.4
82.09441	0.5
83.01401	9.1
85.02960	18.9
86.00134	0.7
87.00879	0.7
88.98827	2.1
89.02460	5.3
93.03458	1.1
95.01388	2.4
97.02978	0.8
97.17002	0.5
99.00869	3.8
101.02443	21.7
108.02171	0.8
109.02959	17.0
111.00843	0.6
113.02460	10.3
115.05535	0.6
117.03449	2.6
119.03533	0.6
119.05019	9.2
132.02174	0.5
134.03723	0.5
135.00894	0.6
135.04521	2.3
143.03558	0.8
143.03754	0.9
143.05028	16.1
145.02945	3.9
147.04512	1.9
153.03445	2.0
161.04564	6.0
167.05005	0.6
170.03694	1.0
171.04526	19.1
172.05020	0.6
173.06102	0.6
174.03264	1.0
175.04015	2.6
176.51820	0.5
181.02931	1.9
182.03705	2.6
185.06110	5.0
187.03970	1.0
189.05588	2.1
195.04526	1.9
196.05260	0.8
197.02524	0.8
197.06079	2.1
198.03265	12.4
199.04027	35.1
200.04449	0.6
211.04001	3.6
212.04840	1.9
213.05582	6.8
215.03471	1.0
216.04166	0.5
217.05037	2.3
223.03973	1.1
224.04805	1.0
225.12906	0.6
225.14923	4.1
226.02666	2.0
227.03453	0.5
238.16258	0.5
239.03442	1.0
240.04300	13.1
241.05086	53.3
242.05470	0.6
242.10402	0.5
243.03014	1.1
247.07771	0.7
263.06952	0.6
267.02997	2.3
274.06259	0.9
275.07159	7.9
281.04572	0.9
283.06137	13.4
285.04099	2.0
291.06509	0.8
292.07455	0.8
293.04614	1.0
304.26016	0.5
319.06201	13.6
323.05692	7.5
343.09647	2.0
343.21326	18.8
385.10797	0.8
387.08722	10.2
387.20218	3.1
429.09750	8.8
429.21259	37.7
466.91299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03445	2.2
59.01385	100.0
71.01385	10.6
73.02947	8.2
79.08274	0.3
83.01404	2.1
85.02963	3.5
89.02458	1.8
97.02944	0.6
99.00856	0.4
101.02454	6.5
101.53383	0.3
104.27647	0.3
113.02451	3.5
119.03472	0.4
119.21627	0.3
125.02515	0.4
133.02959	3.5
134.03288	0.8
135.03551	0.5
135.04520	1.9
136.04913	0.4
137.09709	3.5
143.03462	0.4
145.02974	0.4
146.20984	0.3
149.09727	0.3
155.03522	0.4
161.02461	7.5
161.04536	2.5
161.17162	0.3
162.02800	3.5
163.02945	2.8
171.11862	0.5
173.09705	0.6
179.03568	1.1
189.12874	11.9
203.03830	0.5
203.05611	3.7
204.03822	0.5
207.13936	5.3
223.16335	0.3
225.14993	3.9
260.02301	0.4
264.96344	0.3
302.85831	0.4
337.58316	0.3
341.09079	0.4
343.09360	1.5
429.21262	0.5
441.13031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84467	1.1
58.20283	1.2
59.01391	39.3
60.99313	20.3
69.49014	1.2
70.43421	1.1
71.01376	1.3
73.02967	2.3
85.02983	1.6
88.98811	100.0
89.02438	2.4
109.02951	1.5
119.05054	1.7
135.04477	1.2
144.76678	1.1
163.16328	1.2
179.03477	1.4
189.14291	1.4
198.82919	1.3
235.39868	1.3
306.96539	1.2
375.40964	1.3
429.24860	2.8
482.39960	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	473.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.44772	1.0
59.01383	41.0
64.74495	1.1
70.08160	1.1
71.01381	6.4
73.02944	31.5
78.68463	1.1
85.02972	1.9
85.78564	1.2
87.04521	2.3
96.95996	1.7
98.01112	1.2
101.02477	2.4
109.02952	1.1
118.89948	1.4
123.08160	1.7
131.87485	1.1
135.90773	1.2
161.02461	1.7
163.11311	15.8
169.63425	1.2
181.12344	100.0
225.11342	52.0
267.12384	2.3
369.22803	6.7
429.17831	1.6
429.24979	10.8
434.68784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.44772	1.0
59.01383	41.0
64.74495	1.1
70.08160	1.1
71.01381	6.4
73.02944	31.5
78.68463	1.1
85.02972	1.9
85.78564	1.2
87.04521	2.3
96.95996	1.7
98.01112	1.2
101.02477	2.4
109.02952	1.1
118.89948	1.4
123.08160	1.7
131.87485	1.1
135.90773	1.2
161.02461	1.7
163.11311	15.8
169.63425	1.2
181.12344	100.0
225.11342	52.0
267.12384	2.3
369.22803	6.7
429.17831	1.6
429.24979	10.8
434.68784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03460	1.7
57.15594	0.7
59.01390	3.6
71.01389	4.4
83.01392	1.0
85.02949	22.9
87.00874	57.3
89.02443	1.7
95.01406	0.9
96.96021	7.9
101.02433	2.3
107.04959	1.3
109.02940	5.1
113.02450	55.5
113.49709	1.0
117.46102	0.9
119.03564	1.0
121.02940	3.9
123.04528	10.2
129.01889	1.0
133.02959	30.3
135.04526	53.4
136.01613	3.9
137.02440	90.0
139.03998	2.0
145.02827	1.0
149.02443	10.2
151.03986	1.3
161.02452	100.0
167.03510	1.3
177.02002	1.4
177.05585	1.6
179.03503	26.2
191.03490	1.5
191.05638	4.7
203.03488	3.8
209.04599	1.5
221.04498	1.6
239.05568	2.3
275.07971	1.2
281.06528	1.4
311.00717	1.1
311.07684	5.1
323.07785	23.6
341.08792	13.3
399.09323	3.9
411.09433	15.4
437.10922	2.1
455.11880	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Germanaism B
Peak:m/z	Relative Intensity
57.27414	0.5
59.01390	7.2
68.87483	0.5
71.01375	1.2
72.34584	0.6
73.02946	0.5
77.03598	0.6
77.03947	4.9
79.01896	2.3
85.02961	1.2
93.03463	3.6
95.01413	0.6
101.02451	0.6
105.03491	0.8
107.01386	0.9
117.03459	19.3
118.60931	0.6
121.02965	3.6
133.02910	0.9
134.03743	2.6
135.04471	2.5
137.02428	1.0
145.02966	0.6
147.04506	0.7
147.62843	0.6
149.02391	0.9
154.99632	0.5
158.49811	0.6
159.04491	4.0
161.02435	8.3
163.00356	3.4
163.04005	3.2
165.01898	3.7
171.04559	0.8
175.00412	1.0
178.02739	0.6
181.06650	0.7
182.03658	0.7
183.04544	2.9
183.08157	2.5
185.02299	0.7
188.05666	0.5
188.62505	0.6
196.05406	0.8
197.06071	2.6
199.58847	0.5
209.06097	0.8
211.07646	1.1
224.04794	1.0
225.05629	0.7
226.79811	0.6
227.03493	0.7
237.05661	0.6
239.07161	3.6
241.05266	0.6
251.06914	0.6
253.05098	2.1
254.05827	1.0
258.17194	0.6
265.04959	0.6
268.03751	1.3
269.04584	11.5
272.80627	0.5
281.04559	17.8
282.05212	6.4
283.06143	76.4
284.06525	1.0
293.04538	3.7
295.06134	12.0
307.06210	0.8
308.03259	0.8
309.04007	2.3
311.05664	100.0
312.05765	0.8
314.04504	4.4
321.03989	1.2
323.05667	19.6
341.06717	32.3
348.12396	0.6
353.06842	0.9
395.07877	2.7
413.08801	6.4
455.09769	1.1
473.10907	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.111
Annotation	Germanaism B
Peak:m/z	Relative Intensity
51.76583	0.9
54.31591	0.9
57.03452	1.8
59.01384	37.1
64.08549	1.0
65.79498	1.1
71.01389	5.0
73.02930	1.7
75.00883	4.3
75.01312	1.1
77.03971	5.4
79.01890	2.4
85.02956	5.3
87.00854	2.0
88.39642	1.0
89.02436	1.8
92.10822	2.5
93.03446	2.3
101.02428	2.5
101.37563	1.1
105.03481	2.4
109.02917	2.0
113.02443	1.4
117.03460	28.8
119.05007	4.9
121.02945	6.6
125.02491	1.6
133.02933	6.9
134.03722	11.8
135.04611	11.9
136.85181	1.1
137.02434	4.5
145.02971	2.3
149.02411	1.5
149.71304	1.1
151.04024	1.3
159.04524	7.3
161.02467	18.4
163.00360	4.5
163.03987	9.0
165.01930	2.1
171.04514	1.8
173.02547	1.6
175.00360	1.9
177.01912	5.0
178.02647	4.9
179.03281	1.7
183.04523	1.4
183.08122	1.2
187.03954	1.4
187.07600	5.0
189.01920	4.5
191.03580	1.5
198.79933	1.2
200.35564	1.1
211.04120	1.1
215.07162	1.3
223.07603	2.2
225.05656	2.9
227.03494	1.6
237.05594	2.2
239.07199	2.0
251.07153	1.6
253.05089	1.5
267.06531	2.8
268.03745	4.4
269.04544	7.4
279.06638	15.3
281.04614	26.6
282.05411	7.7
283.03021	2.8
283.06149	84.1
293.04562	12.3
295.06165	26.8
305.04639	1.6
306.05511	1.3
307.06168	11.8
308.03384	2.4
309.04025	7.0
309.07468	2.1
311.05682	100.0
314.04440	5.3
321.07468	2.3
323.05606	26.2
325.07199	8.3
335.05643	14.8
341.06812	7.4
349.07388	1.3
353.06598	10.7
395.07916	1.5
413.08838	38.7
473.10971	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47148	0.1
62.40574	0.2
70.42677	0.2
71.01385	0.2
72.44230	0.2
78.95901	13.7
79.58786	0.2
79.95736	1.8
80.47990	0.2
86.10978	0.2
87.12199	0.2
96.96008	100.0
96.96928	20.5
98.58685	0.2
135.04533	0.4
161.02489	0.4
195.05049	0.2
381.29642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22627	0.5
53.38120	0.5
55.01882	5.8
57.03454	2.8
59.01386	100.0
64.68071	0.5
69.03478	0.5
71.01383	31.5
72.99308	1.1
73.02940	10.8
83.01396	7.8
85.02959	19.1
86.00102	0.8
87.00873	2.2
88.73484	0.5
88.98811	3.5
89.02428	5.2
90.39713	0.5
93.03503	2.0
95.01373	2.5
97.02953	1.1
99.00883	5.2
101.02443	28.8
101.48952	0.6
108.02201	1.3
109.02965	21.8
113.02458	12.8
115.05589	2.1
117.03470	2.4
119.05030	11.5
121.02954	0.6
125.02472	1.4
135.00874	1.3
135.04521	1.3
143.03922	0.7
143.05048	18.7
145.03001	4.7
147.04550	0.7
153.03476	3.2
159.03003	1.1
161.04552	5.8
161.05968	1.6
167.05016	0.7
169.03055	0.6
170.03749	1.2
171.04533	24.8
173.02460	0.7
174.03239	1.3
175.03987	2.6
176.01138	1.1
181.02960	3.2
182.03752	3.8
183.04468	1.3
184.05449	0.6
185.06158	7.1
187.04005	3.7
189.05612	2.7
195.04517	2.3
196.05290	2.4
197.02374	2.4
197.06055	3.2
198.03259	19.0
199.04041	49.1
211.04041	2.7
212.04842	4.2
213.05635	9.9
216.04118	0.7
217.05013	5.1
221.06052	0.9
223.03995	1.0
224.04773	2.5
224.23227	0.6
225.14932	3.5
226.02701	1.2
233.06186	0.6
235.07724	0.8
239.03561	2.2
240.04326	16.2
241.05103	64.8
243.03053	3.2
246.06824	1.2
247.07655	2.1
249.05605	0.7
253.04951	0.6
263.07254	0.7
265.05188	1.2
267.03058	2.9
274.06393	1.2
275.07184	9.6
281.04431	0.9
283.06165	18.0
285.04062	2.3
289.36426	0.6
291.06662	1.1
292.07614	0.8
293.04663	0.8
309.04269	0.7
319.06189	18.9
323.05750	9.4
343.09933	4.0
343.21292	23.0
385.10574	1.8
387.08798	12.8
387.20135	4.1
429.09799	12.4
429.21304	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70108	0.4
59.01386	1.0
61.42630	0.6
61.98847	2.9
68.93911	0.5
78.95906	66.0
81.77227	0.5
96.96949	7.5
117.00005	0.6
139.86670	0.5
150.98021	2.3
152.99600	100.0
171.00697	3.8
471.21381	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	471.3483
Annotation	CHEBI:67911
Peak:m/z	Relative Intensity
54.82545	1.8
57.78543	1.6
57.89494	1.9
74.18636	1.9
86.51425	1.8
106.88843	2.0
109.06553	2.1
119.31528	2.1
258.41168	2.2
409.34662	16.0
427.35892	68.5
441.33871	2.8
471.34866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77167	0.6
51.17863	0.7
51.25385	0.6
55.01888	0.6
57.03460	1.5
59.01382	100.0
60.97096	0.7
65.62659	0.7
69.03455	1.7
71.01378	37.9
72.99302	4.8
73.02942	65.4
75.00858	9.4
76.57002	1.0
83.01381	12.3
83.05032	1.1
85.02956	9.8
85.18884	0.7
87.00865	10.5
89.02444	7.8
92.10149	1.9
97.02918	1.5
97.06588	1.2
99.00877	4.0
101.02434	43.5
104.98895	0.8
107.05124	1.1
109.02978	1.6
113.02447	15.1
117.03414	5.4
119.03469	1.4
119.05040	3.5
125.02410	0.9
129.01909	3.7
131.03522	1.4
133.02951	13.1
134.03735	29.8
135.04524	20.1
136.01662	3.8
137.02486	3.1
143.03490	1.3
145.02956	20.1
149.04633	2.6
149.05986	1.4
151.04033	1.1
159.02965	1.2
159.04433	1.1
161.02452	28.8
161.04503	9.1
161.05780	1.1
163.04001	3.3
166.55464	0.8
177.01923	3.1
177.04007	4.0
177.05548	5.6
178.02740	8.1
179.03497	12.8
187.07568	1.1
195.05127	10.6
203.03477	1.9
203.10835	3.0
205.12314	1.5
213.09346	1.0
218.78210	0.9
221.04561	4.2
223.13347	1.0
231.10184	4.4
251.05656	1.5
275.09311	10.0
281.06552	7.5
293.10336	21.6
307.08173	0.9
307.26669	0.8
341.08737	9.5
395.09613	1.3
471.15326	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	471.2029
Annotation	Bryophyllin A
Peak:m/z	Relative Intensity
57.14606	1.2
59.01381	17.1
59.47582	1.3
61.98831	2.3
70.83842	1.3
71.01406	2.0
72.14012	1.5
73.38255	1.4
80.10130	1.3
85.61084	1.6
87.00890	1.8
108.02168	2.7
109.02965	15.1
125.02483	3.0
133.02927	1.9
135.04544	2.4
136.01624	1.7
137.02443	100.0
146.03745	17.3
150.03288	2.5
153.09198	1.8
161.02440	3.6
167.37781	1.6
174.03239	2.1
175.02431	2.2
185.06061	2.5
188.04710	2.4
213.05617	2.7
235.13490	1.6
241.05133	12.8
242.05746	2.8
261.05478	2.1
267.06729	3.2
273.07654	2.1
277.05103	3.1
278.05832	12.9
283.06104	3.7
303.12646	1.6
315.16077	8.7
331.15604	3.0
343.15427	9.0
407.18622	2.8
417.17218	7.3
425.19586	10.9
435.18219	24.0
453.19290	9.1
471.20334	33.0
471.26480	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90712	0.4
59.01381	8.4
69.03482	0.4
69.11284	0.4
71.01379	3.8
72.99312	0.9
75.00890	2.4
77.36412	0.4
78.28553	0.4
83.01408	0.5
85.02949	3.4
87.00883	3.2
89.02455	2.6
97.02959	0.8
101.02454	1.9
109.02997	0.7
113.02450	3.7
117.03423	2.9
119.03552	0.5
119.05042	1.7
121.02996	0.4
129.01952	0.7
132.02176	1.0
133.02962	35.9
134.03748	6.1
135.04532	22.5
137.02435	0.6
145.02994	8.7
148.05292	0.4
149.06079	2.0
159.81161	0.4
161.02451	100.0
163.04013	1.6
175.04070	1.0
177.04085	1.4
177.05559	4.1
179.03511	19.2
189.05559	0.5
195.05122	3.2
203.03534	10.7
221.04555	3.5
233.04544	1.6
251.05627	2.6
271.13556	0.4
275.09311	2.0
281.06659	3.5
293.10431	3.3
307.08170	0.7
323.07773	0.5
341.08838	22.2
362.77536	0.5
395.10037	0.8
439.12576	7.5
471.14813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88579	0.2
58.23167	0.3
59.01391	8.4
69.03499	0.3
70.12566	0.3
71.01391	3.6
72.99340	0.4
75.00874	1.2
85.02977	2.0
87.00877	1.3
89.02451	2.9
97.02981	0.4
99.00896	0.4
101.01855	0.3
101.02457	2.0
109.02940	0.5
113.02448	2.5
117.03482	0.7
119.03512	0.3
119.05032	0.7
129.01944	0.7
132.02162	1.3
133.02954	41.6
134.03699	2.1
135.04523	20.2
137.02461	1.2
145.02879	2.4
149.06090	2.2
159.04520	0.4
161.02448	100.0
162.02849	0.5
163.04039	0.4
169.65123	0.3
175.03972	2.4
177.04108	0.5
177.05511	4.4
179.03500	16.8
187.07677	0.6
189.05688	0.4
195.05171	2.4
203.03526	9.4
203.10718	0.7
212.93800	0.3
218.61508	0.3
221.04546	3.0
231.10228	0.4
233.04578	2.0
251.05603	2.4
275.09198	1.5
281.06659	4.5
293.10242	0.4
323.07840	0.7
341.08786	25.3
439.12448	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21707	0.2
59.01384	6.8
59.01659	0.4
71.01371	2.8
72.67523	0.2
75.00867	0.4
85.02968	1.2
89.02428	2.4
94.58241	0.2
95.01337	0.3
97.02913	0.4
101.02462	0.9
105.03480	0.4
109.02979	1.1
113.02466	1.3
117.03434	0.9
119.03490	0.3
119.12943	0.3
132.02161	1.8
133.02954	40.0
134.03761	2.1
135.04524	20.7
148.05193	0.4
149.06107	2.4
161.02452	100.0
162.02821	0.4
175.04007	1.5
177.05527	3.3
178.02684	0.4
179.03506	16.7
189.05638	0.3
195.05096	0.5
203.03523	12.7
221.04575	3.3
223.25748	0.2
223.28043	0.2
233.04611	1.9
251.05603	1.5
281.06665	3.9
293.10251	0.3
323.07846	0.9
341.08835	22.1
439.12515	7.6
471.14783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03472	1.8
59.01394	78.2
59.01695	2.7
60.28653	1.3
68.95060	1.6
71.01398	8.3
71.72753	1.5
72.99316	2.0
73.02945	10.5
75.00890	8.2
76.27584	1.5
82.29132	1.5
83.34554	1.3
85.02954	16.3
85.03391	1.4
87.00905	2.3
89.98434	1.5
97.02936	1.4
99.00864	3.2
101.02467	8.9
109.86780	1.4
129.01915	1.8
132.02225	2.0
133.02954	16.3
133.10243	1.8
134.03749	44.7
135.04529	25.2
135.11797	18.9
137.02484	11.7
138.85614	1.7
139.04056	1.9
159.03004	1.6
159.11786	1.8
161.02483	2.4
161.09709	10.0
177.01926	20.0
177.04065	8.1
178.02722	38.5
179.03474	14.9
179.10794	100.0
203.10698	2.7
204.30173	1.7
223.09775	51.8
224.42587	1.6
231.10262	1.9
265.10825	2.7
275.09232	17.4
293.10406	7.5
427.16547	2.6
453.13962	6.7
471.15228	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	60.8
61.35271	1.3
117.00452	6.1
127.57026	1.3
143.02003	1.9
159.01495	95.2
170.97841	2.7
187.00998	100.0
198.98354	2.6
201.02580	24.1
274.99466	1.3
279.32611	1.3
329.02234	43.9
343.03787	1.5
389.59219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97627	0.8
57.03467	0.9
57.29308	0.8
59.01383	21.3
61.98844	1.7
71.01395	2.1
88.98823	0.8
89.02437	1.1
96.95966	1.4
101.02432	1.7
109.02955	2.1
114.53346	0.9
119.05040	7.7
125.02418	1.3
131.44397	0.9
134.03656	1.1
135.04456	1.3
143.05058	15.3
145.03012	1.0
150.05785	0.9
174.03180	4.7
175.03932	1.1
185.06046	4.6
185.26772	1.1
187.14923	1.9
196.85994	0.9
199.04095	1.8
199.51932	0.9
209.06064	1.9
213.05533	1.4
214.11469	1.1
215.07056	1.2
223.04021	1.1
227.07115	10.6
237.05673	1.7
238.06346	1.9
239.07300	2.0
239.12766	0.9
241.05023	4.8
249.14862	4.0
253.05019	1.3
254.05896	1.1
255.06660	11.1
265.04990	4.5
266.05811	1.9
282.05380	8.5
283.06149	100.0
307.06030	2.0
307.09262	1.0
309.04037	1.4
471.11121	6.7
471.26224	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	470.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
61.98832	100.0
62.53683	0.7
66.83911	0.6
75.24860	0.8
76.19298	0.7
85.51962	0.8
86.69450	0.7
90.50763	0.9
92.05264	0.7
101.28592	0.6
135.04515	1.0
138.04179	1.0
149.28181	0.7
152.99611	0.9
167.81198	0.7
178.03822	0.7
345.01749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73475	1.2
52.08734	1.2
57.03455	1.6
59.01385	100.0
61.98840	1.3
77.90091	1.3
82.92451	1.5
92.10149	3.2
97.31042	1.4
97.57101	1.3
102.61858	1.5
111.69559	1.6
161.52080	1.4
189.08873	1.7
224.34343	1.5
235.13214	1.6
335.22314	13.9
362.97980	1.6
443.42947	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	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	47.9
59.83480	2.7
61.98855	2.7
65.86833	2.1
68.72622	2.4
71.01390	12.4
73.02962	12.4
79.05534	5.2
83.01415	2.8
85.02974	5.7
88.05319	2.4
93.03445	5.6
96.96021	3.4
97.02950	12.8
101.02431	3.4
107.05057	3.4
109.02969	10.6
113.02489	3.7
123.04575	3.7
125.02436	13.3
131.08641	4.5
133.02957	15.0
133.10231	100.0
135.04535	14.4
137.02440	4.0
144.05846	3.4
157.06577	3.3
157.10236	3.6
159.08200	11.1
161.02470	17.5
163.04002	5.4
164.50156	3.0
175.11304	3.2
177.09210	87.0
191.03568	3.3
192.44196	3.1
203.07204	4.2
221.08237	81.5
245.08150	3.5
451.15164	3.4
493.89709	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	469.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03448	2.4
58.56565	0.2
59.01380	2.8
71.01385	3.2
73.02917	0.4
75.00887	1.2
75.45366	0.3
85.02958	14.9
87.00893	0.3
87.91154	0.3
89.03975	0.4
97.02940	0.4
97.45140	0.3
99.00908	0.3
101.02455	0.6
105.03478	0.6
107.05069	0.3
109.02957	1.3
111.00887	0.3
113.02449	49.6
117.03477	0.6
119.03498	0.3
123.04519	0.6
125.02411	0.3
127.00381	1.3
129.01942	1.8
132.02138	2.2
133.02950	44.2
134.03743	1.4
135.03481	0.7
135.04521	21.1
137.02414	0.6
149.06078	1.2
159.04527	0.3
161.02444	100.0
162.02759	0.7
175.04033	1.1
175.05995	0.4
177.05577	1.5
179.03500	13.0
195.05113	1.6
203.03532	3.0
220.06172	0.6
221.04530	0.4
229.08699	0.5
252.02257	0.3
255.06549	0.3
281.06708	0.7
323.07773	12.7
330.37866	0.3
341.08707	0.6
437.10883	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	468.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41475	0.7
53.73716	0.6
54.66722	0.7
57.03455	1.3
59.01382	13.2
61.98846	3.1
70.10140	0.7
71.01392	6.2
72.99306	5.7
73.02949	3.0
73.83326	0.7
74.51311	0.6
75.00867	6.8
81.78409	0.7
83.01359	0.9
85.02968	4.1
87.00874	1.6
89.02455	1.6
90.86066	0.7
97.02959	1.0
99.00891	1.8
101.02409	1.0
109.02993	1.8
113.02462	7.5
115.76398	0.7
116.05063	3.6
117.01900	2.7
117.03471	0.8
121.02956	1.5
125.02433	6.2
128.05086	5.0
129.01961	1.5
130.06616	16.8
131.03764	2.9
132.04559	35.4
132.08221	0.8
133.02954	8.7
135.04529	5.4
137.02448	3.0
141.07927	0.9
142.12080	0.8
144.04570	26.2
146.06143	33.7
149.02502	1.0
151.52910	0.8
158.06116	25.7
161.02451	22.5
163.04025	1.6
165.01892	0.8
172.04001	1.1
174.05606	100.0
176.07155	7.2
179.03479	3.2
183.90788	0.8
191.03517	1.7
191.05652	3.0
202.05121	36.1
220.06171	58.0
262.07217	13.2
285.04150	3.2
289.07175	1.4
323.07660	3.1
411.07214	1.1
437.11356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27908	1.2
54.82938	1.1
59.01399	7.8
60.51258	1.2
61.97053	1.2
64.64126	1.3
67.41637	1.2
69.03506	1.6
92.10128	1.8
124.28127	1.3
152.99577	1.5
153.21002	1.5
181.99011	6.7
249.08183	1.6
253.07405	1.7
265.07693	1.9
279.09094	9.0
347.15448	100.0
365.16409	1.7
389.16663	1.9
407.17691	55.5
408.17474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50392	1.3
59.01389	29.5
74.41003	1.5
75.43185	1.9
95.05029	2.2
95.62822	1.6
100.71292	1.8
103.78226	1.8
111.08101	1.7
115.16486	1.7
161.12169	1.9
164.27156	2.0
247.06778	2.2
251.06213	2.5
253.07721	2.9
263.05887	2.3
265.07498	16.7
267.09195	19.5
295.08649	9.7
309.06757	3.9
309.10269	100.0
321.46500	2.1
369.43869	2.1
407.17740	10.2
486.68170	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	465.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03446	1.0
57.46685	0.4
58.00605	0.5
59.01383	23.9
71.01377	10.0
71.01731	0.7
72.99319	0.7
73.02951	4.1
73.03295	0.4
73.24072	0.4
74.87665	0.4
83.01387	2.5
83.66128	0.4
85.02954	5.1
87.00874	2.3
89.02444	1.9
92.10138	0.8
95.01385	0.9
99.00883	1.0
101.02445	7.0
112.01691	0.5
113.02457	3.4
119.03449	0.5
125.02438	0.7
127.11233	0.6
129.09277	0.4
171.10173	0.7
178.37001	0.5
191.05817	0.5
205.35570	0.4
245.24583	0.4
267.19592	0.7
285.20752	4.4
288.16904	0.5
301.20361	1.0
303.21799	25.8
345.22940	0.4
447.25931	5.2
465.27097	100.0
466.27335	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	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85779	2.1
55.82664	2.0
59.01389	54.6
59.01662	3.9
61.28428	2.0
62.66646	2.0
68.68114	2.3
69.82735	2.3
71.01385	20.4
73.02969	4.2
85.02972	5.2
87.00906	5.2
89.02428	3.8
101.02454	5.7
105.02000	3.1
113.02399	3.7
135.04570	3.5
161.02437	3.9
172.31837	2.2
173.35197	2.7
218.05528	2.5
219.22542	2.7
271.19055	2.7
301.20224	3.1
303.21716	22.6
465.27036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01398	0.9
71.01435	0.6
77.03951	3.4
79.01907	1.7
81.67275	0.4
85.02947	0.7
87.00894	0.6
93.03456	4.7
96.96011	2.8
97.02982	0.5
105.03482	1.9
107.01378	0.6
109.02973	0.5
117.03469	14.0
119.05039	2.3
121.02941	3.8
125.02474	0.5
133.02919	0.5
135.04500	5.0
135.42664	0.4
137.02502	0.5
145.02942	0.9
147.04555	0.7
149.02454	4.3
154.27434	0.5
159.04532	4.2
161.02452	9.4
163.00421	0.7
163.03996	6.8
163.36678	0.4
165.01884	2.0
169.06494	0.5
173.02577	0.5
173.32588	0.4
179.03517	1.5
183.04469	0.5
183.08272	0.4
187.07526	0.8
189.01996	0.6
191.03539	3.2
191.05624	5.4
193.01428	0.9
195.08052	0.5
197.06119	2.2
203.03535	2.0
203.09145	0.4
211.07620	1.4
224.04755	0.6
225.05606	0.7
237.05534	0.6
239.07079	3.0
241.05000	0.7
243.06627	1.8
253.05043	0.6
268.03922	4.3
269.04617	4.0
281.04446	3.4
282.05377	2.7
283.06146	82.4
284.06519	1.9
293.04520	3.7
295.06137	1.9
311.05664	100.0
312.06064	1.7
314.04431	1.0
323.05621	4.4
341.06677	8.2
431.09897	85.0
431.43826	0.5
432.10306	2.2
449.14728	0.8
457.97946	0.4
466.13480	0.5
490.07910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58618	0.3
55.01886	2.5
56.39287	0.4
57.03450	1.5
58.00602	0.5
59.01384	77.0
59.08759	0.3
69.03484	0.3
71.01380	14.9
72.99306	0.5
73.02944	6.0
83.01383	4.4
85.02949	9.6
86.00094	0.4
87.00878	0.6
89.02449	1.9
95.01385	1.4
99.00880	2.4
101.02441	13.7
106.38598	0.3
107.66593	0.3
111.00873	1.5
112.11629	0.3
113.02454	6.0
119.03455	0.5
120.40372	0.4
129.01932	0.5
131.63577	0.3
141.59758	0.3
159.02982	0.6
161.04578	1.7
243.19650	0.8
303.21945	1.7
319.24933	0.4
405.25027	3.9
447.26059	4.9
465.27121	100.0
466.27231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12717	0.6
54.13011	0.5
55.01886	0.6
55.65006	0.5
57.03450	6.0
58.00610	0.6
59.01383	100.0
61.89797	0.6
65.43114	0.6
71.01379	19.6
71.01722	0.9
71.50788	0.6
73.02953	1.5
81.03463	1.6
83.01387	1.3
83.58195	0.5
85.02950	11.7
87.00881	1.1
89.02435	22.0
92.43256	0.6
95.01405	1.6
95.18665	0.7
98.22334	0.6
99.04527	0.9
101.02440	19.7
107.01499	0.7
109.02959	15.3
111.00896	2.8
112.05322	1.3
113.02430	7.9
118.83759	0.7
119.03488	9.0
123.04532	0.8
129.01933	31.5
131.03522	0.8
134.07399	1.4
143.03542	1.3
149.09732	17.3
151.00351	2.5
152.01161	6.0
153.00734	0.7
153.01938	20.5
153.03110	1.1
153.09248	8.5
156.36372	0.8
161.04567	4.9
167.10776	23.4
177.04182	0.8
177.05615	3.7
179.05611	7.5
194.02194	1.2
195.02980	18.0
225.04128	1.1
225.14967	3.8
231.84599	0.7
243.16016	3.8
254.04300	1.4
255.05162	15.3
263.05838	1.1
297.06232	1.3
323.07852	1.6
383.09805	1.5
405.21344	21.9
427.08859	30.8
429.09473	3.6
474.61441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.90910	1.9
61.98808	1.7
64.19251	1.8
68.99570	1.9
77.74860	1.9
93.03481	2.7
101.65412	1.9
107.05070	3.2
135.08139	2.5
233.05025	3.4
265.07504	3.4
273.04401	3.9
281.06967	2.2
327.12872	3.8
343.12030	3.0
345.13898	100.0
377.12811	13.6
377.66718	2.3
405.15994	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.0
63.76942	0.3
66.83327	0.3
71.01385	0.8
73.02952	0.6
83.01397	0.3
85.02959	1.5
89.03941	0.4
92.10109	0.4
98.41029	0.3
101.02468	1.4
117.03455	0.6
132.02194	2.2
133.02951	45.3
134.03668	1.5
135.04510	10.3
161.02452	100.0
162.02791	0.6
179.03462	4.5
226.01680	0.4
252.79028	0.3
369.78839	0.3
464.15637	45.5
465.15854	0.7
468.64658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23191	0.2
55.01922	0.3
58.44225	0.3
59.01395	2.1
71.01405	1.6
73.02966	0.6
85.02975	0.5
92.02055	0.3
101.02439	1.4
105.03460	0.5
109.02943	0.3
111.00879	0.3
113.02365	0.3
114.39198	0.3
117.03461	1.3
124.14157	0.3
132.02171	1.6
133.02960	41.6
134.03751	1.3
135.04538	9.8
135.05536	0.4
137.02441	0.3
156.23834	0.3
160.01614	0.4
161.02457	100.0
162.02824	0.7
179.03476	4.2
183.69524	0.3
190.55988	0.3
256.03268	0.4
258.01624	0.4
272.02896	1.4
301.03168	1.3
332.21097	0.3
447.36349	0.4
454.26663	0.3
464.10315	1.5
464.15659	39.7
465.15836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.71752	0.5
54.60452	0.6
57.03468	3.9
59.01387	15.6
60.39809	0.5
68.99821	0.7
69.03515	0.6
71.01395	2.2
71.05030	1.0
81.03452	16.8
81.03928	0.8
83.01382	5.2
84.30045	0.6
89.02431	0.8
95.05023	8.0
97.02938	4.4
99.04520	18.6
101.02430	0.6
109.02946	11.0
111.04503	1.3
113.02462	0.9
121.02927	0.9
123.04507	8.7
125.02431	37.9
133.02960	15.8
135.04568	2.9
137.02452	6.7
139.03987	5.4
149.02451	2.4
151.04056	2.8
161.02376	0.7
163.04004	3.0
165.01918	1.4
167.03491	100.0
175.04051	1.1
177.01927	3.3
179.03481	3.2
179.05112	0.6
191.03511	0.8
193.01433	5.1
197.04555	15.7
199.04100	0.6
203.48802	0.6
205.01410	1.4
207.03059	1.2
209.04544	2.4
235.02444	16.8
265.03656	3.1
269.06668	0.8
287.07809	6.3
345.06195	24.5
355.06528	0.7
375.07315	3.4
405.21176	0.8
465.10440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02993	0.4
54.82098	0.3
55.01892	0.5
57.03444	3.8
58.00599	0.6
58.43525	0.3
59.01384	100.0
71.01383	8.7
73.02930	0.6
77.87880	0.4
81.03466	1.0
83.01405	1.8
83.05048	0.6
85.02941	5.3
87.00894	0.7
89.02438	11.5
89.02933	0.6
92.10114	0.5
95.01387	0.6
96.95984	0.5
99.00879	0.7
99.04515	0.7
101.02436	6.5
108.02190	0.6
109.02962	11.5
111.00870	3.0
113.02441	4.8
119.03517	4.4
123.00884	1.0
123.08149	1.0
125.02406	0.4
129.01938	3.4
143.03461	0.4
147.79015	0.4
149.02396	0.7
151.00330	1.8
152.01143	3.8
153.01949	14.4
155.08653	0.9
159.04485	0.7
161.04588	2.6
165.09155	0.4
172.70921	0.4
175.11296	4.6
177.05528	1.6
179.05614	3.3
194.02228	2.2
195.03014	12.5
196.03294	0.4
205.12447	0.5
214.70537	0.5
223.13443	8.5
236.22923	0.5
249.48682	0.4
254.04254	0.9
255.05164	13.3
263.05655	1.6
297.06259	1.6
323.07874	0.6
355.17944	0.5
383.10059	0.8
403.19669	2.4
427.08878	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	463.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23457	0.6
54.23980	0.7
55.01881	1.9
55.29025	0.8
57.03453	1.9
59.01387	76.3
71.01386	16.1
73.02963	5.4
74.72292	0.9
83.01393	4.1
85.02950	12.8
86.00109	1.2
89.02457	1.2
90.02135	0.9
95.01394	1.4
99.00871	2.0
101.02443	13.1
113.02467	4.9
199.82405	1.0
385.22479	3.9
445.24680	4.7
463.25598	100.0
464.26501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1256
Annotation	7-O-Methyleriodictyol 3'-O-glucoside
Peak:m/z	Relative Intensity
55.78963	0.4
57.03464	0.4
59.01392	11.1
61.97464	0.4
67.97636	0.4
70.71591	0.4
71.01396	0.9
73.02971	0.5
74.99110	0.7
80.02715	0.4
82.15336	0.5
83.01398	2.0
83.61474	0.4
101.02450	0.7
107.01394	4.7
108.02174	9.2
109.02939	1.0
113.02424	0.7
114.60564	0.4
121.02999	0.5
123.00877	1.9
124.01661	1.0
125.02428	3.1
133.02925	0.8
134.03745	6.7
135.04532	1.0
136.01663	13.0
136.99159	0.5
137.02467	4.7
149.06085	0.9
151.00366	10.1
152.01093	0.5
158.03769	2.2
161.02431	2.2
164.01155	35.6
165.01862	1.7
171.04544	0.7
172.05299	1.0
173.06076	0.5
174.03186	3.9
177.02017	0.7
179.03552	0.8
188.04887	0.5
195.98361	0.7
196.00153	19.9
199.04028	4.7
200.04820	2.2
201.01953	3.1
206.02187	0.6
209.11877	0.6
213.05438	0.6
214.06311	1.1
215.03537	1.1
215.07178	0.5
216.04172	0.5
217.05098	0.8
227.03568	0.7
227.12944	1.0
240.04291	1.1
241.05054	2.9
242.05887	6.2
257.08231	5.2
257.13074	0.6
258.05200	1.8
268.03687	1.0
271.02701	0.7
283.06158	2.0
285.04044	0.6
286.04877	8.9
301.07202	100.0
302.07394	1.1
341.63425	0.5
343.08353	2.0
358.05170	0.8
441.06747	0.6
463.12793	13.8
463.25751	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	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55619	0.3
63.02428	0.6
65.00321	0.6
69.49192	0.3
77.54576	0.4
83.01418	0.6
88.78625	0.3
89.02155	0.4
92.10191	0.6
93.03460	0.4
107.01369	4.0
108.02191	2.4
109.02985	2.3
119.01348	0.4
121.02965	3.0
124.38100	0.4
128.72609	0.4
128.99164	0.5
135.00879	0.9
148.01675	2.2
151.00371	13.5
159.04529	0.6
161.02400	0.4
163.00365	2.5
178.99879	5.2
183.04468	0.8
198.03152	0.7
199.04016	1.6
203.03409	0.4
211.04019	1.7
215.03558	0.6
216.04413	0.7
226.02769	2.6
227.03560	6.1
229.05107	0.8
239.03595	0.6
241.05077	2.2
243.02998	16.6
245.04660	1.0
254.02179	2.5
255.03003	32.3
256.03827	0.5
271.02502	78.3
272.03122	3.3
273.04059	1.0
283.02505	0.7
299.02002	0.9
300.02777	100.0
301.03555	39.3
302.03900	0.5
317.64044	0.4
463.08899	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.3
61.17746	1.2
66.42731	1.3
71.01398	1.4
83.01401	2.4
101.02418	1.5
125.02428	1.4
145.02995	2.0
161.02444	7.5
181.43433	1.3
187.04021	1.7
189.01996	1.6
196.03485	1.1
221.92833	1.5
223.02512	1.7
227.03586	3.2
229.01279	2.7
233.04526	2.0
242.02261	1.8
243.02986	2.6
245.04559	1.8
255.02847	1.7
258.01703	4.8
259.02460	5.5
269.04578	4.6
271.02527	10.4
272.03284	6.0
280.09433	1.8
285.00494	7.2
287.01956	1.9
287.05518	1.7
297.03870	2.3
299.01996	29.0
299.05237	2.4
300.02805	7.8
301.03549	16.3
313.03571	9.2
314.04333	25.0
315.05020	5.1
316.02310	9.8
325.03452	2.3
327.01520	2.8
327.05084	2.7
343.04599	59.8
346.03479	2.3
355.04370	9.1
373.05692	39.9
385.05762	2.9
412.12579	1.3
445.07718	1.7
463.08890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3643
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
50.32173	2.6
51.53130	2.6
58.37451	3.3
60.99323	2.9
62.94226	2.8
69.34989	2.6
75.41600	3.1
80.38844	3.2
83.05061	2.5
83.60675	3.1
84.84855	2.8
99.33179	3.2
100.50086	2.8
102.27132	3.3
109.06629	3.7
126.19209	3.0
139.35840	3.2
157.63519	3.2
168.19823	3.6
227.69777	3.1
252.23781	3.4
343.30069	18.8
345.31540	15.4
399.36374	13.4
443.35361	69.4
461.36478	100.0
462.36932	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	463.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03465	2.4
59.01384	63.3
66.84883	0.9
67.01904	1.4
69.03468	1.5
71.01379	10.2
71.05022	1.5
73.02947	1.4
73.99667	1.0
78.01052	0.9
81.03474	6.3
83.01396	4.2
85.02955	26.8
87.00925	1.5
89.02461	5.6
91.01817	1.6
93.00971	1.0
95.01391	2.0
97.02947	1.9
99.00871	1.5
99.04510	4.2
101.02433	13.8
107.01391	4.1
107.04282	1.1
108.02193	5.9
109.02954	70.2
111.00885	16.4
113.02441	4.1
119.03491	1.3
123.00888	2.2
124.01656	2.6
125.02477	4.2
127.04012	2.0
129.01939	20.6
135.00903	1.0
139.00362	1.0
146.57045	1.0
149.06136	1.5
151.00414	11.2
151.03963	1.7
152.01175	21.8
153.01947	94.3
159.04459	2.4
167.03528	1.7
175.11267	1.0
177.05540	12.8
179.96866	1.1
185.49628	1.0
194.02179	11.0
195.03006	95.7
221.04651	4.5
223.13510	4.8
224.03217	2.1
224.59576	1.1
225.04083	2.4
254.04333	8.5
255.05132	94.6
263.05588	9.9
291.06934	1.3
297.06177	7.6
309.31671	1.3
315.07324	2.0
323.07843	8.4
362.08716	1.1
383.09818	6.3
427.08884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84684	13.0
54.19388	13.4
56.56829	12.0
59.01389	23.6
59.71492	13.8
61.98849	19.2
62.89925	15.6
78.95916	64.0
87.29890	17.6
149.93723	15.5
152.99579	100.0
304.27069	18.7
348.05002	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	461.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69043	0.2
57.03468	0.3
59.01391	100.0
71.01389	6.5
72.99336	0.3
73.02972	0.3
81.03471	0.3
84.73677	0.3
85.02975	1.7
85.44831	0.3
87.00920	0.3
89.02453	6.3
92.10789	0.6
95.01422	0.4
97.98834	0.3
101.02448	2.7
113.02442	2.2
119.03492	2.2
129.09233	0.6
152.99606	0.6
153.12823	0.6
155.10843	0.4
177.16460	2.7
179.05612	0.4
185.11789	1.5
191.14465	0.6
192.12839	0.3
195.17508	0.7
197.11804	0.7
221.15433	0.5
234.77594	0.4
239.16530	1.6
266.55032	0.3
291.19623	0.6
309.20746	1.8
327.21689	2.6
341.68622	0.3
389.39618	0.4
401.21860	23.4
402.21753	0.4
406.51996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3641
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
50.83864	1.1
51.89459	1.0
54.93144	1.2
62.40227	1.4
62.71680	1.3
75.00951	1.2
84.43503	1.2
124.55473	1.4
142.87212	1.7
152.61795	1.5
232.90205	1.6
271.53024	1.5
279.10165	1.8
399.36374	1.9
443.35657	2.5
461.36441	100.0
462.36493	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82625	1.4
57.03461	59.8
58.94527	1.4
59.01392	100.0
69.03465	1.8
71.01391	13.2
73.02972	3.0
75.00894	1.5
81.00828	1.4
82.72749	1.7
85.02977	6.6
89.02454	12.7
92.88948	1.5
96.96011	2.1
101.02467	7.0
107.05031	1.8
109.02968	2.5
110.79651	1.6
113.02464	10.6
119.03494	8.7
125.02447	2.0
125.09701	2.7
132.40816	1.4
133.02927	21.9
135.04552	9.8
137.02440	2.4
137.09706	6.3
149.02440	1.9
153.01942	3.4
161.02449	77.1
161.04561	3.8
166.56512	1.6
177.12889	2.2
195.03026	3.2
195.13916	32.2
221.11842	46.6
239.12895	85.4
262.47470	1.6
323.21579	1.8
425.14813	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	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19885	1.1
53.91330	1.3
54.56576	1.1
54.70847	1.3
54.82153	1.4
57.03456	1.7
57.85904	1.2
59.01383	37.7
62.64079	1.2
71.01400	6.6
71.39853	1.2
73.02959	3.2
83.01398	1.7
83.05032	6.5
87.00829	1.6
92.10715	1.9
97.02953	1.5
97.06595	7.4
101.02446	1.8
102.84531	1.3
109.02954	18.5
113.02484	1.3
117.03451	2.3
119.05031	19.4
123.04575	2.3
125.02475	7.1
133.02974	2.4
135.04535	6.1
145.02946	18.1
151.11310	17.9
152.01138	1.7
153.01947	23.0
159.04506	6.4
161.02452	7.5
163.03983	1.9
167.03473	6.6
169.12346	32.2
175.76218	1.4
187.03998	10.7
195.03029	23.0
195.04767	2.0
195.10344	10.2
213.11353	100.0
218.09825	1.4
237.11342	3.3
241.05034	8.8
242.05791	1.8
245.13245	1.3
255.05234	5.8
257.08188	14.7
269.01065	3.2
278.05072	8.7
281.14883	1.4
319.13431	1.6
349.14420	1.5
357.26593	2.2
377.35498	1.4
401.08667	12.7
408.47672	1.4
425.14932	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	461.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
71.01373	0.9
73.02949	0.6
85.02972	1.9
92.10738	0.8
94.04314	0.3
101.02409	0.4
108.45580	0.4
109.02956	6.0
117.03473	1.0
119.05042	2.9
129.01865	0.6
133.02939	0.5
135.04509	0.9
145.02975	3.6
152.01161	1.0
153.01976	4.1
158.03641	0.5
159.04529	0.9
161.02432	2.0
163.04047	0.4
172.05302	2.2
177.05576	0.4
180.05836	0.6
185.06097	1.6
187.04027	2.5
195.02969	4.7
195.04573	0.6
197.06073	2.5
199.03966	2.0
213.05614	2.7
214.06476	0.5
224.04749	2.9
225.05522	1.7
241.05087	58.9
242.05853	4.1
255.05121	0.9
257.08221	100.0
258.08600	0.9
313.87894	0.4
383.07712	0.5
401.08963	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	461.1098
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
59.01384	22.2
64.08974	0.8
65.00323	2.3
65.16487	0.8
72.25003	1.0
73.02953	2.0
77.15201	0.9
80.20803	1.0
81.94308	1.2
85.02922	2.0
96.95999	2.1
98.39052	1.1
101.02455	1.4
107.01373	1.8
109.02971	9.6
109.03595	1.1
110.74363	1.1
113.02453	1.7
117.03463	1.9
119.05034	4.4
120.05345	1.0
125.02467	4.6
132.02185	1.5
133.02928	6.8
134.03674	1.5
135.04459	1.4
145.02951	6.6
151.00366	14.8
152.01108	1.6
153.01932	7.2
158.03728	1.5
161.02467	1.8
163.03941	2.0
167.85683	1.2
177.01959	1.7
183.04480	1.4
187.03951	4.9
195.02914	8.4
199.03957	2.1
200.04788	4.7
201.01978	2.0
208.03738	1.2
211.04015	6.1
227.03551	13.5
228.04294	1.7
239.03510	2.0
255.02960	14.6
255.05069	2.9
256.03815	17.5
257.17688	4.2
262.03915	1.1
269.04532	2.1
283.02518	7.8
284.03268	100.0
285.04074	17.0
288.97818	1.4
297.04053	5.1
298.04822	4.3
299.05634	45.2
326.04276	1.6
327.05048	1.4
401.08841	2.5
401.21756	1.5
419.22885	5.9
426.97766	1.2
446.08563	21.7
461.10947	83.5
461.24088	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	461.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03445	1.0
59.01384	100.0
63.71453	0.9
69.03459	1.8
69.75026	0.7
71.01379	41.7
72.99299	1.1
73.02943	52.3
75.00873	2.1
78.44425	0.9
81.03472	0.8
82.96810	0.8
83.01389	11.9
85.02934	8.5
87.00882	1.7
87.04524	1.9
89.02438	14.5
93.03461	1.1
95.01385	1.6
96.95996	14.5
97.02927	0.9
99.00937	1.0
101.02438	48.8
113.02463	16.2
119.03512	5.4
121.02942	1.8
122.03748	2.1
123.04464	1.2
125.02465	1.2
131.03505	6.8
135.04526	4.4
137.02437	1.8
143.03487	4.9
149.04561	4.8
150.03239	29.4
153.01949	1.7
153.05606	1.3
161.02461	1.7
161.04573	15.8
162.03287	1.1
163.03807	1.2
165.05580	24.9
177.05618	1.1
179.03642	1.5
179.05545	1.2
195.05080	4.1
195.06651	5.4
203.05579	1.4
221.06715	3.8
285.80191	1.2
341.08817	1.1
378.40094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16087	1.6
53.21869	1.3
54.82277	1.7
59.01376	28.3
71.01387	4.3
73.02975	1.8
87.31556	1.7
93.03474	10.6
96.96049	2.3
98.53262	1.7
101.02451	7.9
106.20203	1.7
108.02204	3.0
109.02953	92.5
111.00848	2.9
113.02460	2.2
115.18837	1.6
117.03452	20.5
119.05020	44.0
120.05343	3.8
121.02961	3.4
123.04523	8.1
124.01693	2.5
125.02429	2.0
125.52105	1.8
131.05022	2.9
133.02975	8.0
135.04509	7.3
137.02391	3.7
145.02965	54.4
149.02370	2.6
149.06161	2.7
151.03957	2.5
152.01166	25.8
153.00681	3.3
153.01939	98.3
159.04507	18.0
161.02457	7.9
163.04062	15.3
165.01926	25.1
166.02281	4.1
167.39987	1.8
168.35092	1.7
173.31960	1.9
177.05550	3.4
179.03429	2.8
185.06242	2.0
187.04033	49.5
188.34595	1.8
195.03000	100.0
198.78078	1.8
213.05577	3.1
214.50246	1.9
225.04031	7.8
241.05083	51.6
242.05817	10.4
255.05144	29.1
257.08264	29.6
269.00970	10.3
270.01309	3.1
277.04306	6.6
277.54416	8.3
284.02896	2.0
383.07642	14.1
389.06485	2.6
390.06979	3.4
401.08844	73.6
461.11237	2.3
474.41846	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	461.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38134	0.6
55.01893	1.1
57.03452	1.2
59.01386	14.3
68.99860	0.8
71.01384	8.8
73.02967	3.4
73.07836	0.7
73.79307	0.6
75.00865	0.8
81.03460	0.9
83.01402	1.5
83.76159	0.7
85.02946	9.8
85.03407	0.8
89.02409	2.2
92.10852	1.4
93.03474	4.6
95.01382	3.5
96.96009	1.5
96.99322	0.7
97.02961	0.8
99.00892	1.0
101.02430	8.2
107.01398	1.1
108.02162	1.5
109.02953	74.6
109.06596	1.0
113.02448	7.7
117.03464	19.1
119.05023	69.5
120.05331	1.0
121.02946	1.6
123.00938	1.2
123.04530	1.2
124.01682	1.4
125.02414	1.0
131.05042	2.7
133.02971	0.9
133.06606	6.8
135.00914	0.9
135.04495	3.1
137.02423	1.6
139.05923	0.7
145.02960	75.7
147.04532	3.8
149.02484	1.4
149.06094	1.7
152.01189	6.6
153.01949	100.0
158.03769	1.0
158.49506	0.8
159.04506	4.7
161.02460	1.1
161.06084	12.0
163.04012	48.0
165.01929	1.0
177.05562	10.5
187.04030	12.0
195.03011	21.5
205.05064	8.9
235.06137	1.5
237.04066	3.0
255.05139	6.6
297.06183	20.8
306.25229	0.8
307.08237	10.1
315.07367	1.2
325.09256	3.2
383.07370	1.0
401.08823	3.9
420.45422	0.9
450.27878	0.9
461.10956	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36553	1.1
54.80472	1.1
59.01385	35.6
59.01663	2.5
60.01732	1.4
65.00342	1.5
69.99960	1.1
71.01387	10.3
73.02953	5.8
80.37120	1.3
83.01390	3.3
85.02950	7.0
87.39795	1.5
88.98782	2.9
89.02425	2.1
93.03457	2.3
95.01372	2.2
97.02942	1.6
101.02483	5.8
107.01396	6.0
108.02175	2.2
109.02955	79.6
113.02444	8.0
117.03449	18.6
119.05020	75.2
120.05363	7.2
121.02915	1.7
123.00893	2.2
123.04541	2.6
124.01651	2.5
133.02953	5.8
133.06561	2.7
134.03540	1.5
135.04541	3.2
136.01553	2.4
137.02458	7.3
145.01851	2.9
145.02965	65.1
145.04095	2.9
147.04584	1.9
149.09485	1.3
151.00356	17.0
151.04013	8.2
152.01166	16.0
153.01945	95.7
158.03726	1.3
159.04507	8.9
161.02444	1.5
161.06079	9.0
163.03996	32.5
171.04518	1.4
177.05634	3.3
179.03439	1.5
183.04576	1.4
187.04016	16.1
195.03021	38.9
199.04021	2.1
200.04726	2.9
205.05070	5.5
211.04010	6.4
219.58096	1.4
225.03963	1.4
227.03513	10.3
228.04381	1.6
239.03558	1.9
241.05148	2.4
255.02867	11.7
255.05331	10.9
256.03696	10.8
277.04227	10.8
277.54437	14.1
278.04877	1.8
283.02444	12.1
284.03250	74.8
285.03983	16.5
297.06592	13.2
298.04706	1.8
299.05658	26.8
307.08307	2.2
326.04254	2.7
375.09161	10.0
383.07721	2.0
401.08740	17.6
417.11273	1.6
446.08688	21.3
461.10965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91010	0.8
56.08208	1.1
59.01387	30.2
71.01379	10.4
73.02954	2.1
75.00886	1.2
81.03470	1.0
83.01392	2.5
85.02969	3.9
89.02451	2.4
93.03463	4.5
95.01389	1.2
95.24230	0.9
96.96006	1.8
101.02454	5.0
108.02175	3.5
109.02955	88.1
111.00893	5.4
113.02464	2.0
113.07973	1.1
117.03461	15.6
119.05022	28.0
121.02975	2.2
123.00880	2.2
123.04517	5.1
124.01667	5.5
130.04298	1.8
131.05038	4.7
133.02982	2.4
133.06590	2.2
135.04536	5.0
137.02444	7.4
145.02959	51.8
145.04118	2.0
146.57416	0.9
147.04604	1.4
149.02452	2.0
149.06085	1.6
151.04056	4.9
152.01160	29.4
153.01941	100.0
157.05286	1.1
157.06549	1.2
158.03705	2.1
159.04512	16.7
161.02473	4.3
161.06116	1.9
163.04033	12.8
165.01918	11.8
166.02251	1.5
167.03552	1.3
177.05602	4.4
179.03500	1.6
185.06165	1.9
187.04004	37.9
191.03468	2.0
195.03000	89.7
201.35925	1.1
213.05484	1.2
224.04852	1.3
225.03995	7.8
225.07565	1.1
225.11320	1.5
229.05153	2.4
237.03941	3.9
241.05060	21.6
242.05890	4.9
255.05086	32.2
256.05664	1.2
257.08267	16.5
269.00867	2.1
277.54572	1.4
297.06097	1.8
299.05914	1.2
383.07767	9.7
401.08850	62.1
401.21930	1.3
461.10831	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94671	0.8
59.01382	11.3
60.89845	0.8
65.00360	1.3
73.02963	1.6
75.00864	1.2
81.03450	3.9
83.01422	0.9
83.05051	0.9
85.02952	1.7
88.98823	5.2
89.02454	1.4
101.02437	0.9
107.01388	2.0
109.02930	4.9
117.03425	1.1
119.05025	19.8
120.05380	1.0
123.04506	7.7
125.02482	1.2
133.02943	3.9
134.03682	1.6
135.04521	4.6
145.02930	2.2
151.00388	4.6
153.01930	2.3
161.02429	11.3
163.04010	1.6
187.88091	1.0
199.04041	2.1
200.04924	1.7
211.04129	1.7
227.03548	9.1
239.03619	1.9
241.05003	1.1
255.03009	35.7
256.03485	10.4
256.05777	4.3
256.55887	1.2
263.12958	1.8
269.01031	4.1
269.04593	10.7
283.02563	18.5
284.03271	100.0
285.04013	11.9
297.04181	10.0
298.04742	14.1
299.05627	43.3
299.09018	1.8
313.03674	1.1
313.07239	1.3
341.06628	9.7
423.13025	1.2
425.14609	6.2
461.11038	59.7
468.85352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2912
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.42910	0.8
62.16537	1.0
63.78987	1.1
64.34476	0.9
71.39391	0.9
72.05355	1.0
72.47016	1.0
100.30812	1.0
107.05035	29.2
116.92859	5.2
163.11293	100.0
171.51814	1.1
193.16678	1.1
196.82071	1.0
198.88722	1.0
283.17035	25.9
295.17038	14.4
300.68604	1.2
405.74075	1.2
459.29102	51.8
459.35611	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	459.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
59.01383	100.0
59.61632	0.5
59.65852	0.4
60.54900	0.5
63.94315	0.4
65.00335	0.6
71.01378	8.6
73.02946	5.2
83.01377	2.8
85.02959	5.0
89.01023	0.5
89.02459	0.8
92.10807	1.1
95.01350	0.5
99.00892	0.9
101.02439	9.2
107.01388	0.6
113.02460	3.3
119.05016	6.1
121.83690	0.4
125.02402	0.5
151.00395	1.8
157.87596	0.5
161.04591	1.8
167.10779	1.0
168.16698	0.5
277.04343	6.3
283.02396	2.1
353.27280	0.6
373.22403	7.4
390.79446	0.5
415.23541	0.9
423.21310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02555	0.3
53.32013	0.2
55.01887	1.4
57.03447	1.7
59.01385	100.0
71.01382	13.6
71.23571	0.3
72.99306	0.5
73.02950	4.2
76.05585	0.2
83.01389	2.4
83.05089	0.3
85.02955	6.1
87.04533	0.7
87.97758	0.3
88.68196	0.4
89.02445	5.9
92.10828	0.5
95.01383	1.2
97.02950	0.3
99.00891	1.5
101.02444	9.3
101.06107	1.5
106.64995	0.3
113.02466	5.8
113.06140	0.3
119.03488	1.5
125.02468	0.6
126.19473	0.3
129.25134	0.3
130.17470	0.3
143.03450	0.3
161.04568	2.5
179.05699	0.5
211.13347	2.9
243.16054	0.6
255.19540	0.5
297.20770	0.4
355.24979	2.1
373.25992	1.3
399.23868	5.1
415.26990	3.5
417.24994	9.9
459.20132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96281	0.3
59.01381	0.6
60.39583	0.3
66.73232	0.3
77.36073	0.3
78.95901	72.0
88.23362	0.3
90.53378	0.3
96.96953	8.0
99.78710	0.3
150.98048	2.6
152.99600	100.0
171.00630	3.9
457.23688	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	459.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73785	0.2
63.00882	0.3
65.06030	0.2
73.02950	1.2
92.10131	1.1
96.96040	0.4
99.92583	9.9
113.02458	0.4
116.92857	100.0
117.01951	1.1
117.92900	1.5
118.37034	0.3
121.02991	0.3
133.02957	0.4
135.04506	2.5
136.12280	0.3
161.02504	0.5
177.05521	0.3
179.03484	2.2
249.04115	0.6
369.08212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
71.01381	0.4
73.02942	56.7
78.95904	0.6
87.00901	0.4
89.02451	0.3
93.35324	0.3
96.95991	0.7
96.96961	0.5
99.00873	7.0
99.92581	0.8
100.94631	0.4
101.02448	0.5
116.92856	19.9
117.01936	100.0
121.70983	0.3
129.01907	0.4
242.43184	0.4
260.34177	0.4
298.51923	0.3
390.76096	0.3
432.40323	0.4
445.23230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01383	100.0
64.34537	0.5
71.01380	4.3
73.02946	1.9
75.00874	0.6
83.01384	0.8
83.33043	0.4
84.21318	0.4
85.02961	3.0
87.00891	0.6
89.02448	1.8
95.01379	0.5
101.02444	3.7
109.02940	2.5
111.08055	0.5
113.02452	2.6
116.28629	0.4
116.79234	0.4
119.05039	0.6
120.10348	0.4
121.02931	0.6
125.02404	0.4
133.02939	1.0
135.04529	0.8
139.07686	3.4
145.02985	2.4
153.01962	2.1
159.03030	0.6
161.02448	3.0
161.04604	1.6
162.02863	0.5
163.00273	0.5
163.04024	0.4
177.09200	0.5
179.03523	0.7
195.02971	1.8
243.84846	0.4
255.05060	0.6
339.14471	0.8
357.15613	2.7
399.16739	4.6
423.12994	0.5
459.19257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30376	0.3
53.24924	0.3
55.01886	0.6
55.97322	0.3
56.33712	0.2
57.03460	1.9
58.00622	0.4
59.01386	100.0
71.01386	8.9
72.99322	0.3
73.02948	4.3
76.23432	0.3
83.01392	1.7
85.02947	4.7
87.00904	0.6
89.02429	4.6
101.02438	5.5
101.48913	0.3
109.02976	0.6
113.02430	3.3
119.03473	1.6
119.05000	0.5
133.03030	0.3
135.04541	0.4
161.02473	0.7
161.04504	1.3
162.35739	0.4
166.68550	0.4
179.05597	0.4
191.10793	0.5
203.05727	0.5
209.11861	2.7
235.13437	0.3
295.06165	1.5
371.20746	0.7
413.21762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48214	0.2
56.29448	0.2
59.01377	0.4
61.34801	0.2
78.95898	66.2
96.96953	8.6
100.80493	0.2
128.34151	0.2
150.98026	2.3
151.59616	0.2
152.99591	100.0
171.00644	4.4
222.81601	0.2
308.21228	0.2
412.76901	0.2
457.23621	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	457.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26061	0.3
55.01896	0.6
57.03460	1.8
58.00593	0.7
59.01388	55.3
59.89480	0.3
69.03466	4.1
71.01392	14.0
71.05022	0.7
72.99310	0.5
73.02953	22.1
75.00904	0.5
81.03481	0.9
83.01396	5.0
83.05045	1.7
85.02959	2.2
89.02460	1.0
91.05566	0.5
93.07107	3.7
95.05056	0.9
97.02958	1.8
101.02448	6.3
106.04250	0.5
107.08689	1.9
109.02940	0.7
109.06599	0.4
111.04514	0.7
113.02465	2.6
113.06099	1.1
114.38402	0.5
117.94846	0.5
119.05061	0.4
119.08672	13.3
125.02457	1.7
125.06096	1.0
133.10269	0.9
135.11812	10.6
145.06602	0.5
147.10616	0.8
147.11809	23.5
149.09711	0.5
151.11385	0.5
155.03516	1.0
161.09642	0.5
163.11179	0.5
165.09239	0.5
165.12857	2.4
171.08203	0.5
173.09711	2.6
175.11330	1.1
179.10774	9.1
181.12344	2.0
187.11314	2.1
191.10802	19.8
203.10843	1.8
205.12392	1.0
209.11864	100.0
210.12152	0.6
215.10689	0.9
223.04596	0.4
223.13422	1.0
233.11835	2.8
251.12929	3.4
344.82278	0.5
445.09903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01381	9.7
59.70132	0.4
64.28667	0.4
64.34714	0.5
65.04382	0.3
71.01375	4.6
72.99319	0.5
73.02962	0.8
76.44487	0.4
83.01393	0.4
85.02953	8.3
87.00871	16.8
89.02430	3.9
89.04045	0.4
89.49421	0.4
93.03473	0.5
95.01387	0.7
96.96012	4.3
97.02888	0.6
101.02430	3.9
107.05022	0.5
108.02191	0.7
109.02950	4.3
113.02446	12.5
114.93398	0.6
116.92869	0.4
119.03452	0.8
119.05038	2.7
121.02953	45.9
122.03792	2.9
123.04530	2.9
125.02398	0.5
133.02956	16.3
134.03749	0.9
135.04524	100.0
136.01662	0.7
136.04794	0.6
137.02440	61.8
137.06047	2.9
139.04021	1.5
145.02963	2.3
147.04535	2.4
148.05260	0.5
149.02464	3.3
149.06087	7.8
153.05518	0.5
161.02448	48.9
162.02802	1.0
163.04031	1.7
175.04013	4.0
175.07495	0.4
177.05554	8.4
177.15947	0.5
179.03513	20.0
181.05077	0.7
189.05588	0.6
191.03510	3.7
203.03519	11.1
209.04610	6.2
221.04517	5.6
239.05588	8.3
251.05736	2.9
269.06680	2.7
281.06668	6.1
299.07788	3.9
307.08362	0.5
336.08521	0.5
341.08804	9.3
413.10922	1.0
457.17444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93684	0.2
54.38591	0.2
57.03466	0.3
59.01390	6.5
60.31701	0.2
63.70819	0.2
69.03489	0.3
70.18185	0.2
71.01396	3.2
72.99342	0.3
73.02941	0.3
81.03489	1.2
85.02975	1.2
87.00902	1.5
89.02454	3.1
95.01419	0.3
95.05024	0.5
97.02968	1.1
99.04535	1.1
101.02465	1.8
105.03495	0.6
106.65322	0.2
109.02962	1.6
111.00935	0.5
113.02465	2.4
115.99091	0.2
116.92863	0.4
117.03460	0.4
119.03512	1.1
121.02947	0.4
123.04520	1.4
125.02420	3.0
132.02184	1.7
133.02963	36.5
134.03696	1.5
135.04530	21.8
136.04855	0.3
137.02412	1.7
139.04034	0.4
147.04518	1.3
148.05345	0.4
149.06139	1.9
149.85968	0.3
161.02455	100.0
162.02798	1.2
163.02840	0.3
165.05579	0.4
167.03500	6.4
175.04066	2.0
177.05577	4.0
179.03505	18.8
189.05751	0.4
191.03497	2.4
197.04565	1.4
203.03534	13.1
207.06581	0.3
209.04546	1.4
221.04597	3.4
233.04594	2.1
251.05606	3.6
281.06714	4.5
323.07693	1.2
341.08810	21.3
413.09845	0.5
439.12494	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	457.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01105	0.3
57.03450	7.5
59.00032	0.3
59.01383	8.5
63.02381	0.4
65.00330	0.6
71.01382	3.2
71.80067	0.3
72.99313	1.3
73.02943	0.3
75.00882	0.3
81.03448	2.6
83.01386	8.4
85.02970	1.7
87.00878	2.9
89.02435	4.2
95.05053	0.4
97.02946	1.6
101.02419	2.5
107.01393	1.9
109.02945	0.6
110.49152	0.3
113.02441	2.3
117.83204	0.4
119.03500	1.3
121.02931	1.2
123.04518	3.4
124.01712	0.4
125.02438	100.0
126.02735	0.4
129.01956	0.7
130.02290	0.4
133.02977	5.1
133.05074	0.5
134.03725	0.4
135.03568	0.5
135.04518	3.7
137.02455	1.4
139.04008	3.9
147.04575	0.5
148.99759	0.3
149.00923	7.4
149.02444	9.6
151.00386	1.7
161.02451	12.3
162.02853	0.8
163.02884	0.5
165.05602	0.4
167.03485	10.0
169.01332	0.4
173.02425	0.3
173.06085	0.4
175.03970	0.4
177.05525	0.7
179.03531	4.0
187.03940	0.5
187.07635	7.0
191.03500	2.1
198.30350	0.3
201.05539	0.5
202.06387	1.9
209.04582	11.4
213.09253	0.5
218.02385	0.3
221.04593	1.2
231.10353	2.5
233.04623	3.0
251.05666	1.9
263.12830	0.6
275.09277	1.3
281.06577	0.3
295.10376	5.7
307.11935	1.3
325.13107	2.5
329.09018	1.4
341.00369	0.4
341.08838	0.5
413.10883	14.0
457.13541	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	455.3537
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
74.03903	1.5
80.63107	1.7
84.60191	1.7
86.04765	1.4
106.24688	1.4
110.82043	2.1
111.39825	1.4
148.73166	1.9
179.97836	1.6
233.24213	1.7
301.26825	2.0
306.40622	1.9
455.35461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
78.47983	0.6
78.95879	5.3
97.78186	0.5
152.99547	6.4
153.99960	1.3
162.83916	4.7
233.47511	0.7
236.71584	0.7
420.07217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72329	0.2
57.03451	4.1
59.01384	5.1
71.01392	1.5
72.99313	1.7
73.02953	1.7
75.00876	1.4
78.95901	4.0
79.95751	1.6
85.02966	1.6
87.00883	4.0
88.04562	0.2
89.02457	0.4
96.96014	100.0
96.96900	5.6
98.95596	2.9
98.96439	0.5
99.00878	0.6
99.04533	3.2
101.02451	1.7
112.04057	0.5
113.02471	0.3
115.00339	0.4
117.01962	3.4
119.05044	0.4
121.02150	0.3
121.02969	5.7
125.02424	1.3
129.01935	1.0
129.05573	1.8
133.01387	0.3
133.05078	1.0
135.04532	8.1
137.02510	2.3
139.37996	0.3
147.03011	0.3
155.03519	0.4
159.13647	0.2
161.02397	0.5
161.04587	0.5
163.06194	0.3
179.03505	1.1
181.05083	3.3
191.01950	0.6
191.05627	9.7
195.05055	1.3
196.05525	0.3
203.03510	0.3
239.05585	0.3
263.21759	0.3
265.09360	2.4
267.96292	0.3
290.42242	0.3
359.09888	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	455.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96250	11.8
68.99827	2.4
73.05545	2.0
81.03468	5.2
83.59222	1.9
91.05538	4.6
95.01395	12.1
95.05029	2.9
107.05028	13.1
107.44064	2.2
109.02976	2.8
119.05042	19.9
121.02954	3.0
121.06606	4.1
121.53941	2.1
122.03693	4.0
123.04472	2.4
133.06573	35.0
135.04526	83.7
137.06084	25.3
143.08968	3.4
147.04514	11.9
150.03308	2.5
151.02110	2.2
163.04111	2.5
179.01704	11.8
180.02512	4.8
180.04242	2.0
181.03349	3.0
182.05821	5.3
192.63884	2.0
199.12337	2.2
212.01573	15.0
219.02875	2.0
249.30408	2.2
277.26114	2.1
293.15836	7.4
294.16547	15.2
326.15607	100.0
455.26846	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	455.2209
Annotation	CHEBI:78175
Peak:m/z	Relative Intensity
54.66877	0.4
56.44385	0.5
57.53726	0.4
59.01386	0.6
61.98830	14.1
65.30482	0.5
66.56510	0.5
78.95903	68.2
84.67669	0.5
84.95158	0.6
96.96960	9.1
121.29237	0.5
139.86685	0.5
150.98021	2.1
152.99596	100.0
171.00648	2.4
181.12288	0.7
362.93277	0.5
455.22263	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	455.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27071	0.7
52.66760	0.9
55.01890	6.7
57.03469	6.0
59.01385	63.0
71.01382	49.7
72.99298	1.4
73.02944	28.8
75.00880	7.0
76.57738	0.9
81.03461	0.9
83.01389	13.3
85.02949	42.4
87.00877	13.3
89.02448	11.9
92.10079	1.8
95.01383	4.3
97.02958	2.1
97.06577	1.2
99.00876	10.3
101.02441	62.9
105.03490	1.4
109.02977	6.4
111.00884	1.3
113.02453	26.4
117.03455	1.8
119.05048	1.9
125.02424	2.0
129.01949	3.8
131.03502	1.3
133.02965	23.1
134.03751	20.6
135.04562	10.4
136.01665	18.4
137.02432	8.1
143.03548	1.1
145.02980	2.2
147.03008	2.0
150.73454	0.9
151.03979	1.7
159.02986	3.9
159.04649	0.9
161.02455	40.0
161.04495	13.2
161.05772	1.3
162.03111	4.3
177.01956	2.3
177.04105	1.6
178.02753	1.2
178.56161	1.0
179.03421	3.1
187.07626	2.1
195.03076	1.1
195.05214	1.8
196.05547	1.2
197.05579	1.8
198.27206	1.1
203.03529	1.2
203.11029	1.3
231.10222	9.2
232.10597	3.9
233.08449	2.5
233.10829	2.3
238.04913	3.9
263.15018	79.4
264.15381	1.3
275.09506	8.5
276.09668	6.2
277.09885	9.3
293.10132	1.1
323.07806	5.6
335.11371	1.7
395.19269	100.0
411.09384	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	455.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32295	0.4
59.01378	6.1
60.30901	0.4
71.01389	2.9
75.00884	2.0
75.73943	0.4
77.32774	0.4
78.81203	0.5
85.02945	1.0
89.02430	1.0
94.26881	0.5
97.02959	0.7
99.00887	0.8
101.02442	0.8
113.02473	3.6
117.02634	1.1
117.03463	31.8
119.05025	16.3
132.05817	0.5
133.02946	1.0
133.06607	2.5
145.02960	100.0
154.16298	0.5
159.04517	2.5
161.02461	3.1
161.04832	0.7
161.06039	4.8
163.04018	15.3
163.05363	0.6
169.18883	0.5
173.05977	0.7
177.05537	2.2
187.04013	19.3
187.07649	0.6
195.05121	2.1
196.05545	0.9
197.05566	1.0
203.07053	0.5
205.05096	5.1
215.03403	0.5
217.05148	1.1
235.06055	1.1
265.07190	3.4
281.10577	0.5
282.95697	0.6
307.08310	2.2
325.09314	12.9
423.13025	2.6
443.37610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.1
61.98837	2.4
68.99577	18.2
81.77863	2.2
83.05050	2.2
85.02967	4.7
85.06593	42.9
96.96004	57.2
111.04510	13.8
112.98582	11.9
113.02437	13.2
119.05027	100.0
129.04683	4.2
129.05579	98.3
133.02965	4.9
135.04521	3.3
137.02525	2.9
146.44910	2.9
161.02473	22.2
163.04024	71.4
170.03534	2.3
179.03391	2.7
195.05127	3.7
212.11800	2.4
301.89209	2.4
341.09106	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	455.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75666	0.2
57.03473	0.4
59.01384	6.6
61.27607	0.3
69.03468	0.3
71.01379	4.0
73.02964	0.4
80.25459	0.3
85.02954	2.1
85.65459	0.3
87.00896	1.1
89.02441	2.5
91.84176	0.3
93.03474	0.4
95.01394	0.5
95.17948	0.3
97.02959	0.5
101.02431	1.8
110.91948	0.2
113.02444	3.2
117.03469	32.9
117.85703	0.3
118.03799	0.3
119.05026	16.1
119.50406	0.3
121.02923	0.3
133.02957	1.3
133.06633	2.2
135.04532	1.1
136.01709	0.3
145.02966	100.0
146.03310	0.7
159.04532	2.3
161.02466	3.1
161.06105	5.3
163.04019	16.5
166.21271	0.3
172.49854	0.3
173.06052	0.5
177.05579	1.8
179.09117	0.3
187.04024	19.2
191.07190	0.6
199.28537	0.3
203.06996	0.3
205.05069	6.2
217.05086	1.9
235.06175	2.3
262.58344	0.3
265.07156	2.9
307.08298	2.9
323.07697	0.4
325.09335	15.2
393.46564	0.3
411.09167	0.7
423.13412	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	455.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37464	0.2
55.37783	0.2
57.03459	0.6
59.01392	2.2
69.03475	0.3
71.01389	1.4
72.78727	0.2
73.02945	0.4
78.33574	0.2
78.95953	0.3
80.02779	0.2
85.02963	8.5
87.00882	28.5
89.02464	1.3
93.83068	0.3
96.96985	0.3
101.02432	0.9
105.03475	0.5
112.65302	0.2
113.02454	18.2
117.03471	0.4
117.97345	0.3
121.02944	0.3
123.04575	0.5
132.02155	1.8
133.02957	36.9
134.03711	0.4
135.04520	9.0
161.02449	100.0
162.02763	0.6
175.03972	0.3
177.05492	0.4
179.03481	5.9
195.03175	0.2
203.03484	1.6
221.04607	1.0
243.06598	0.4
281.06647	1.3
323.07773	14.3
341.08911	2.3
411.09308	9.5
437.11011	1.9
455.11932	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	455.1201
Annotation	Adicardin
Peak:m/z	Relative Intensity
53.53744	0.2
57.03465	0.6
57.13836	0.2
57.99201	0.3
59.01389	1.7
71.01390	0.4
71.86587	0.3
85.02943	7.3
87.00871	26.7
91.80023	0.3
96.81499	0.3
101.02428	0.5
105.03462	0.5
111.00920	0.3
113.02440	15.7
116.92863	0.4
117.03471	0.5
132.02177	1.6
133.02951	36.2
135.04518	15.9
161.02446	100.0
162.02742	0.5
174.79247	0.3
177.05524	0.6
179.02037	0.5
179.03493	10.2
203.03464	2.3
207.21492	0.4
221.04581	0.4
280.51672	0.3
281.06787	0.6
323.07745	19.2
329.13516	0.3
336.44080	0.3
341.08771	3.3
348.99518	0.3
370.84103	0.4
411.09293	12.7
437.10751	1.7
455.12000	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.12
Annotation	Adicardin
Peak:m/z	Relative Intensity
56.87335	0.3
57.03453	1.3
59.01395	2.6
67.64493	0.3
71.01381	2.0
75.06724	0.3
82.13441	0.3
82.97382	0.3
85.02951	9.5
87.00874	19.9
89.02436	0.5
89.33358	0.3
96.34080	0.3
101.02441	0.5
109.03001	0.5
113.02451	27.3
114.02736	0.3
116.92858	1.7
117.03487	0.5
119.04990	0.3
121.02955	10.8
127.76072	0.3
132.02187	2.5
133.02957	36.5
134.03749	0.4
135.04526	13.9
145.02942	0.4
161.02449	100.0
163.04060	0.5
177.05626	0.6
179.03526	9.5
203.03555	1.9
218.10773	0.4
221.04443	0.3
234.05482	0.4
247.10262	0.3
281.06702	1.2
289.76141	0.4
302.82602	0.3
323.07742	14.7
341.08868	1.7
411.09393	8.2
437.11069	3.7
455.11670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0975
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
50.76349	0.6
53.81120	0.5
55.01878	0.6
57.03456	2.7
59.01392	6.4
61.98838	0.6
69.03501	0.6
71.01385	3.9
73.38573	0.6
75.00828	0.6
78.95902	91.1
81.67209	0.6
83.01400	0.7
85.02953	14.2
87.00879	24.0
87.15649	0.6
89.02442	2.7
96.95987	2.6
96.96959	100.0
101.02466	1.3
101.06071	1.1
109.02975	1.6
113.02460	31.0
113.03254	1.2
116.92856	4.3
119.05022	2.7
121.02977	3.9
123.48990	0.6
133.02962	37.7
134.03656	0.8
135.04538	20.3
138.98064	5.4
139.04131	0.7
145.27022	0.7
149.06064	0.6
152.81116	0.6
159.04523	1.1
161.02457	86.5
162.02884	0.7
163.03986	1.0
175.04001	0.7
176.04689	0.8
177.05510	0.7
179.03528	12.5
184.08707	0.8
187.07669	1.3
191.07092	0.7
198.06750	2.9
199.00183	7.4
203.03482	3.0
212.08328	5.8
213.01723	8.6
221.04796	0.9
241.07372	4.5
243.06645	0.8
255.08900	6.8
275.09186	1.4
277.09879	0.9
281.06519	0.6
293.08621	0.9
323.07764	13.4
341.08963	1.3
411.09436	5.1
437.10760	3.6
455.09720	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	455.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01384	5.8
68.99259	0.2
68.99553	1.7
71.01382	4.1
72.99329	1.4
75.00871	26.7
78.95920	1.4
80.73197	0.2
83.01434	0.3
84.02169	0.3
85.02955	3.2
87.00869	4.2
87.04550	0.3
89.02445	2.6
92.10072	0.3
96.96024	1.3
99.00883	10.2
101.02469	0.4
103.00380	0.3
107.05007	0.2
110.98556	1.1
111.00897	1.0
112.98627	1.2
113.02513	0.3
129.01950	15.6
134.03740	0.5
135.04529	11.4
145.05080	0.4
159.03004	10.4
161.02403	0.4
162.90306	0.3
177.04045	1.3
179.03506	5.9
179.05095	0.2
191.05682	0.2
195.05124	100.0
196.05435	0.3
223.51375	0.3
261.14847	0.3
357.08304	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	455.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24413	0.1
54.82542	0.1
55.16897	0.1
57.03456	0.2
57.42102	0.1
59.01385	0.8
68.28017	0.1
71.01380	0.3
72.99305	0.2
75.00875	3.7
79.95737	1.7
85.02973	0.3
85.62827	0.1
87.00880	0.4
89.02449	0.2
96.96013	100.0
98.95598	0.7
99.00901	1.7
103.21658	0.1
111.00864	0.3
129.01927	2.0
135.04527	1.7
159.02974	0.9
164.07166	0.2
164.28526	0.1
179.03455	0.9
195.05113	14.7
200.15227	0.2
357.08221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73710	0.3
59.01377	1.4
61.43733	0.3
68.99570	1.5
71.01393	0.4
72.77275	0.3
75.00877	5.2
79.95746	1.8
85.02976	0.5
87.00886	0.6
92.21364	0.3
96.96005	100.0
98.95611	0.6
99.00866	1.9
112.98587	2.1
115.00251	0.3
127.44904	0.4
129.01958	3.1
135.04503	2.3
159.02980	1.8
179.03510	0.7
195.05110	21.6
232.56976	0.3
299.78116	0.4
357.08292	2.2
463.62521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82346	0.2
57.03456	0.9
59.01379	1.7
60.51346	0.2
63.10637	0.2
66.16022	0.2
71.01390	1.0
72.12994	0.2
72.99284	0.3
75.00869	8.6
79.95744	1.4
85.02950	0.9
87.00884	1.2
89.02435	0.5
94.54245	0.2
96.96006	100.0
98.95595	0.5
99.00876	4.0
111.00887	0.4
113.02439	0.9
118.91320	0.2
123.07211	0.2
129.01945	5.7
133.02939	0.3
135.04520	3.7
135.87776	0.2
159.02992	3.7
177.03993	0.4
179.03520	2.0
195.05113	36.3
196.48334	0.2
357.08292	7.3
383.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55354	0.2
51.58079	0.2
52.02916	0.2
52.94250	0.2
55.01871	0.4
57.65631	0.2
59.01382	8.3
68.67345	0.2
71.01379	4.2
72.99311	0.5
75.00870	0.4
83.01385	0.4
83.05019	0.3
84.08145	0.2
85.02953	2.3
87.00878	4.1
89.02442	2.7
93.03431	0.2
96.96008	8.8
96.96592	0.4
99.00869	5.0
101.02457	2.9
103.24483	0.3
109.02995	0.4
111.00928	0.4
113.02441	3.5
119.03491	5.8
127.03988	0.4
129.01927	0.4
130.08733	100.0
135.17900	0.3
137.02446	1.6
155.03522	4.4
159.02998	0.3
195.05099	2.5
233.06705	1.9
263.43954	0.3
291.07254	0.5
321.85269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59193	1.7
58.01097	1.8
59.01383	12.3
61.98831	2.0
62.50796	1.9
67.22364	1.6
83.05042	2.9
91.56864	1.8
97.02956	2.1
125.09747	3.5
152.79732	2.2
163.11298	7.8
165.12669	3.0
180.86453	2.0
181.12401	4.0
185.11755	2.7
207.10277	11.9
209.11865	100.0
225.11359	7.8
227.12903	25.5
241.05122	2.1
243.12296	2.9
265.14365	2.9
354.01349	1.9
433.11249	2.1
435.23932	8.6
453.25046	2.7
458.87869	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	453.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62320	0.8
56.37000	0.7
59.01391	100.0
91.04013	0.9
91.84371	0.9
111.02807	0.9
116.92870	2.0
160.84222	1.5
175.15028	1.0
219.13731	1.0
283.20642	1.4
297.32742	1.0
301.21820	3.9
319.22733	9.0
342.33353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1925
Annotation	Tomentodiplacone B
Peak:m/z	Relative Intensity
53.84195	0.9
54.82311	1.0
56.89254	0.8
59.01385	8.0
62.86218	1.0
63.07100	1.1
68.37392	0.9
71.01402	1.0
75.03420	1.0
81.03452	11.2
96.96071	1.1
101.32549	1.0
108.69551	1.2
123.04516	19.9
135.04497	1.2
146.03775	1.9
148.05472	1.2
151.04016	2.2
159.04494	11.9
160.05286	2.4
171.04550	2.8
172.05327	2.0
173.06087	16.9
185.06105	1.2
187.04008	15.8
188.04695	1.7
189.83319	1.3
197.06094	1.4
200.04820	2.0
201.05579	16.1
213.05676	2.1
213.09093	1.9
222.48814	1.1
224.04654	1.4
224.77168	1.2
232.03734	1.6
236.08334	1.3
238.06332	4.3
241.05128	8.1
245.11870	2.1
266.05981	2.2
267.06668	6.3
275.09305	1.6
277.05325	1.4
279.06561	1.3
280.07413	17.6
281.08289	4.1
283.13382	2.3
291.06671	30.7
292.07367	16.0
293.08176	4.6
301.14432	1.3
307.13690	1.3
311.12891	8.0
312.06357	17.8
323.16534	4.3
329.14008	7.4
330.14792	2.5
347.16547	7.0
349.14453	1.9
365.17517	2.8
391.15573	100.0
409.16577	40.3
417.17169	17.7
435.18237	60.3
453.19165	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	453.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.1
58.91621	0.5
59.01385	12.8
71.01388	7.5
72.51393	0.5
72.99332	3.6
74.87486	0.6
75.00868	51.0
80.56902	0.5
85.02954	6.5
87.00890	6.8
89.02453	4.2
97.02969	1.2
97.17021	0.9
99.00877	15.0
101.02425	5.9
111.00916	2.6
113.02411	0.7
121.02969	0.8
129.01942	37.5
133.02959	9.9
134.03712	2.4
135.04523	6.0
149.06140	1.2
159.03001	12.0
159.04298	1.0
161.02444	18.6
167.61319	0.7
169.79199	0.6
172.05353	4.0
173.06100	1.5
173.92056	0.6
175.07733	0.6
177.04121	1.1
177.05545	0.9
179.03522	3.0
187.04034	1.0
187.07646	18.9
195.05118	100.0
199.04114	0.8
201.05580	3.1
202.06351	3.0
209.87936	0.7
213.09225	3.2
215.07253	0.9
221.04466	1.3
230.54175	0.7
231.10205	6.2
257.08249	7.3
275.09274	4.3
281.06641	2.5
291.07059	1.3
439.25574	0.8
453.10056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25227	0.3
55.01902	1.3
56.91974	0.3
57.03465	0.5
59.01386	5.4
65.38788	0.3
71.01403	2.0
71.05013	0.3
73.02945	0.4
75.00874	0.5
81.03471	0.7
83.01385	0.5
83.05063	0.4
83.23112	0.3
85.02952	6.1
86.50133	0.3
89.02457	0.7
91.43349	0.3
95.01406	0.3
97.02969	0.4
99.00901	0.7
99.04527	0.6
101.02435	8.9
105.03507	0.4
109.02965	0.4
109.90925	0.3
111.00886	2.1
113.02468	1.4
117.03432	0.6
129.01933	27.9
130.99974	0.3
132.02165	2.1
133.02950	45.1
134.03754	1.5
135.04521	15.8
149.06107	0.4
161.02443	100.0
162.02782	0.8
177.05482	0.7
179.03490	6.3
187.07526	0.8
195.05084	0.8
203.03523	1.7
203.07098	0.8
207.39284	0.3
221.04716	0.4
275.09293	1.7
281.06555	0.4
291.07196	2.4
323.07681	0.5
341.08835	2.0
399.85413	0.4
409.11264	0.7
453.10370	12.6
471.52570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03448	1.0
59.01380	12.8
67.85348	0.5
69.03463	1.1
71.01379	5.2
75.00842	1.6
81.03458	4.0
83.01392	2.8
85.02950	19.0
87.00923	0.9
89.02421	3.9
93.42007	0.6
97.02949	0.9
99.00881	0.9
99.04501	4.3
101.02432	10.4
105.03432	0.6
107.05001	0.6
109.02973	2.5
111.00873	9.7
113.02449	3.2
115.16642	0.5
117.03445	0.7
121.02940	1.1
127.04021	3.6
129.01933	34.7
132.02187	2.5
133.02950	52.5
134.03749	5.3
135.04517	30.3
137.02473	1.9
139.03986	0.7
147.48375	0.5
148.05278	1.1
149.06104	5.5
159.03033	0.7
159.04466	0.9
160.01659	0.6
161.02441	100.0
162.02740	0.9
172.05499	0.5
173.05988	1.2
175.04001	0.7
177.01900	0.7
177.05537	9.8
178.02722	1.2
179.03496	20.3
185.06119	0.6
187.07669	0.8
195.05083	3.8
201.05624	1.1
201.63617	0.5
203.03519	0.8
203.07124	6.7
220.03751	0.8
221.04576	9.6
229.05034	1.3
247.06229	1.1
251.05624	6.7
275.09366	1.9
280.05948	0.8
281.06696	16.0
288.90054	0.6
289.07181	2.7
291.07166	9.9
323.07681	3.2
341.08829	4.7
349.09576	2.1
409.11392	3.0
453.10254	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	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03463	6.1
59.01386	19.7
59.01656	1.3
63.03975	0.7
71.01373	11.7
72.99312	1.8
74.16532	0.9
75.00869	40.2
80.31584	0.8
83.01384	1.8
85.02946	15.8
87.00866	7.7
89.02454	4.3
99.00875	13.3
99.04536	3.7
101.02437	28.1
102.02676	1.0
109.02976	1.3
111.00884	6.6
111.37926	0.9
112.75561	1.0
113.02429	1.3
127.04046	1.0
129.01941	100.0
132.02251	1.2
133.02960	44.9
134.03719	2.2
135.04533	26.2
139.63202	0.8
149.06122	1.4
159.02975	8.6
159.04210	1.2
161.02457	77.9
172.05339	2.3
173.06082	1.7
177.04138	2.4
177.05589	6.1
178.02724	1.0
179.03505	11.5
187.03915	1.2
187.07698	16.1
195.05125	88.8
201.05634	1.8
202.06412	1.6
203.07185	5.3
209.27910	1.0
221.04611	6.9
231.10182	4.3
251.05603	2.2
257.08197	4.5
275.09247	2.2
281.06674	10.0
289.07205	1.2
291.07236	8.6
298.28922	0.9
315.35315	1.0
323.07983	1.9
325.92548	1.0
341.08978	4.4
396.80991	1.0
400.58493	1.0
409.11578	3.8
453.10190	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93260	0.5
55.01878	0.9
59.01385	5.1
65.72763	0.6
71.01400	2.9
72.94022	0.6
74.40525	0.6
75.00893	3.0
77.28824	0.7
81.03448	1.0
83.01393	0.6
85.02952	9.3
87.00887	2.5
92.64004	0.6
95.05091	0.6
99.00890	1.0
101.02438	4.5
101.69410	0.7
102.87119	0.7
107.05069	0.9
109.02990	1.2
111.00892	1.6
113.02502	0.8
129.01953	20.7
131.39536	0.7
132.02203	3.3
133.02968	47.5
134.03775	7.1
135.04533	43.0
139.04010	0.9
149.06102	0.8
159.03090	0.7
159.04547	1.0
161.02461	100.0
162.02887	0.9
175.04100	0.8
177.05562	3.3
179.03517	21.0
187.07570	2.3
195.05096	6.6
203.03615	4.8
203.07195	0.8
213.09439	0.7
221.04646	1.1
231.10263	1.4
263.13742	0.8
275.09323	9.2
281.06729	1.5
291.07254	1.5
323.07864	1.2
341.08759	2.8
409.11722	4.8
453.10226	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	452.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88238	0.1
54.82243	0.1
59.01390	0.7
61.58786	0.1
61.98858	0.6
71.01395	0.2
85.02968	0.3
92.10094	0.3
96.96014	8.5
97.95964	0.2
102.81675	0.1
115.92106	0.2
116.05056	3.8
117.03471	0.2
129.01959	0.9
132.04559	0.2
133.02960	1.6
135.04529	0.9
159.03218	0.7
160.04048	100.0
161.02441	2.6
161.04376	1.4
179.03517	0.2
191.05653	1.2
192.05948	1.1
202.05193	0.8
204.03067	2.8
262.96619	0.5
366.08328	2.8
391.01324	0.2
408.09445	10.0
409.09750	0.2
444.08707	0.2
453.10129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
58.00645	0.4
61.98837	0.7
62.39396	0.5
64.33876	0.5
65.68666	0.4
77.81611	0.4
78.95898	17.3
107.15711	0.4
122.00151	0.6
126.21877	0.5
130.37762	0.4
134.78809	0.5
138.57835	0.4
140.01195	5.8
152.77992	0.5
152.99586	0.9
165.30017	0.5
196.03816	9.4
214.04799	1.1
225.45073	0.5
255.23322	100.0
256.23743	0.8
300.24261	0.5
384.14304	0.6
390.19901	0.4
418.73285	0.5
452.27887	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	453.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43668	0.6
57.03463	0.9
59.01389	7.9
61.98833	6.6
65.42340	0.6
71.01401	3.8
81.03446	0.7
82.95436	2.4
85.02955	5.9
87.00897	1.1
88.98821	1.4
89.02467	1.1
96.96009	6.8
99.04483	0.9
101.02438	8.5
109.02947	0.8
111.00913	1.3
113.02459	2.9
115.92073	1.0
117.03483	0.7
117.05363	0.6
123.04568	0.8
129.01228	0.5
129.01941	33.5
132.02190	3.0
133.02959	41.5
134.03757	1.3
135.04524	16.3
139.04109	0.6
149.02495	1.0
160.04056	8.7
161.02449	100.0
161.04324	5.3
162.02782	0.9
175.04041	0.7
179.03549	5.8
185.05991	0.9
185.11369	0.6
187.04042	0.9
195.05026	0.9
201.05582	0.7
203.03577	1.1
203.07220	2.3
210.70161	0.6
218.97569	1.1
220.70787	0.7
229.05313	0.8
262.96500	0.9
291.07281	2.5
341.08838	1.0
381.23978	0.7
389.92752	0.7
395.64975	0.6
398.26044	0.6
409.10034	1.5
453.10440	10.3
457.70169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12757	3.2
59.01393	7.4
59.66854	3.1
67.29839	3.0
72.99313	5.2
75.77402	3.8
82.05484	3.1
87.07008	3.3
92.10120	3.4
97.06618	16.5
125.06092	51.5
127.07680	9.0
128.55428	4.0
143.07159	84.5
153.09235	5.9
171.10324	5.0
185.11829	18.4
197.11824	9.4
209.11858	65.9
209.62332	4.7
289.18100	4.1
307.19275	65.0
325.20267	100.0
448.46350	4.3
451.27234	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	451.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79601	0.7
59.01383	100.0
59.53154	0.7
64.34705	0.7
72.93678	0.7
74.72887	0.8
81.03463	4.0
83.05024	16.9
83.05466	1.1
173.93854	0.9
243.42699	0.8
365.79379	0.9
378.09372	1.0
391.29697	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28749	1.0
59.01385	100.0
81.03470	5.1
83.05019	14.8
89.83330	1.4
92.65608	1.4
125.09694	2.2
145.44623	1.3
153.82407	1.4
162.33336	1.6
171.10280	2.4
386.39963	1.4
391.29681	40.6
432.72861	1.6
475.36871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	47.3
61.98842	100.0
74.55951	21.0
75.96166	18.4
91.91095	24.1
132.93123	24.0
146.22588	25.1
152.99516	30.3
203.67216	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	449.2316
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
51.84666	0.3
58.78974	0.3
59.01373	1.1
61.98826	1.2
78.95901	58.2
91.61176	0.3
96.96959	8.2
103.03867	0.3
108.17920	0.3
109.11790	0.3
143.40572	0.3
150.98013	3.2
152.99599	100.0
171.00620	3.3
192.95772	0.3
235.98097	0.3
295.22867	0.7
449.23151	13.7
449.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27438	0.1
58.63245	0.1
59.01395	1.8
59.01638	0.2
61.98838	0.2
62.56039	0.1
64.34438	0.2
65.70345	0.2
66.45831	0.2
71.01396	0.4
71.38377	0.1
72.99326	0.2
78.95919	0.2
79.95732	1.5
85.02947	2.1
87.00876	0.3
88.11940	0.2
89.02473	0.2
90.72301	0.2
93.03444	0.9
93.68798	0.2
96.96003	100.0
98.95576	0.6
99.92596	0.3
100.86093	0.2
101.02422	0.3
105.03470	0.2
109.02945	0.4
113.02422	0.3
115.92096	0.2
116.92860	0.3
121.02885	0.2
127.03918	0.2
133.02957	1.2
134.03729	0.2
135.04539	1.6
137.02448	0.7
147.11055	0.2
149.02443	0.3
153.01952	0.2
160.04073	2.3
161.02400	1.0
165.84830	0.2
173.04507	0.2
178.02650	0.4
179.03477	0.7
191.05620	24.5
212.82515	0.2
215.95107	0.2
306.07510	0.2
353.08902	2.8
389.01575	0.2
391.04541	0.2
417.88101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20329	0.6
55.95284	0.6
57.21207	0.6
57.36816	0.7
59.01392	6.8
63.42067	0.6
66.11276	0.7
66.34949	0.7
66.49377	0.8
68.40404	0.8
71.01398	4.1
73.02945	1.2
79.95769	1.1
80.10135	0.8
85.02979	1.1
87.00882	1.0
87.23183	0.8
92.47786	0.7
96.96015	100.0
101.02451	1.8
113.02477	2.0
127.04101	1.5
133.03003	1.0
135.04495	1.6
141.47783	0.8
177.01880	1.1
187.87396	0.8
191.05626	27.4
199.21959	0.8
212.09175	0.9
240.91827	0.9
255.06467	1.2
259.08188	4.1
353.08844	3.9
391.12466	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	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65832	0.2
55.01349	0.2
57.03454	1.2
59.01383	5.6
65.00335	4.1
67.01894	0.3
69.03487	0.3
71.01379	1.8
73.02951	1.0
81.03461	1.7
83.01397	2.1
83.05049	0.4
85.02960	13.1
87.00887	2.8
89.02475	0.3
92.10178	0.5
93.03462	5.6
95.01476	0.2
95.05000	0.2
99.04527	1.1
101.02442	0.8
107.01400	6.6
109.02954	1.9
111.04552	1.8
113.02475	0.5
117.03495	0.3
121.02844	0.2
122.03764	0.3
123.04527	5.7
123.69408	0.3
124.01658	1.0
125.02435	7.3
127.04025	3.5
133.02965	1.2
135.04530	1.2
137.02435	0.5
139.04037	0.3
143.03531	0.3
149.02492	0.9
150.03244	5.1
151.00378	18.4
151.04004	5.6
152.01172	5.0
153.01924	1.0
159.04498	0.4
167.03535	2.7
169.01439	0.4
171.03008	1.1
172.05386	1.9
173.04588	1.6
173.05946	0.3
175.03993	1.4
177.01871	0.6
178.99863	3.1
183.04491	0.4
185.06056	0.3
185.43565	0.2
187.04039	0.4
187.07660	11.5
189.05559	0.4
191.05629	100.0
192.06001	0.5
197.04538	0.5
199.04039	2.3
200.04781	0.4
204.04388	0.3
213.05673	0.3
213.09261	0.9
215.07162	2.4
217.05074	0.8
227.03592	1.7
228.04271	1.4
229.08676	0.5
231.10263	0.9
241.05077	0.4
243.03070	0.3
245.08252	1.2
257.08221	9.0
259.06042	0.3
275.05551	0.2
285.00851	0.4
285.04062	11.5
286.04520	0.3
287.05661	0.4
297.09952	1.0
303.05109	3.5
323.07858	0.3
325.60867	0.3
329.06290	0.3
389.21942	0.4
449.10062	2.1
449.23962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.7
61.98832	4.2
71.01395	3.9
85.02963	10.7
87.00897	8.7
92.10072	2.8
93.03457	32.2
95.10208	1.7
101.02425	1.9
109.02979	2.0
111.04562	3.1
111.39276	1.8
125.02424	1.9
135.04523	3.9
135.98174	2.1
139.11270	3.2
153.01898	2.1
161.01187	1.9
161.02437	3.5
167.03488	2.7
172.05373	2.6
173.04579	11.4
187.07660	13.6
191.05620	100.0
199.04086	3.3
201.11383	8.2
213.09198	2.4
231.10242	2.9
243.19713	2.5
257.08334	14.4
449.14539	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	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.7
61.98832	4.2
71.01395	3.9
85.02963	10.7
87.00897	8.7
92.10072	2.8
93.03457	32.2
95.10208	1.7
101.02425	1.9
109.02979	2.0
111.04562	3.1
111.39276	1.8
125.02424	1.9
135.04523	3.9
135.98174	2.1
139.11270	3.2
153.01898	2.1
161.01187	1.9
161.02437	3.5
167.03488	2.7
172.05373	2.6
173.04579	11.4
187.07660	13.6
191.05620	100.0
199.04086	3.3
201.11383	8.2
213.09198	2.4
231.10242	2.9
243.19713	2.5
257.08334	14.4
449.14539	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	449.1094
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
53.37795	0.5
57.95671	0.4
59.01383	11.2
59.11519	0.4
64.04834	0.5
65.00329	9.1
71.01387	2.5
83.00964	0.5
83.01381	4.5
85.02969	2.1
87.00932	0.7
89.02460	2.6
93.03484	2.6
101.02402	0.7
103.01918	0.7
107.01394	20.9
108.02123	0.6
109.02956	2.9
113.02457	0.8
116.17384	0.6
118.71758	0.5
119.05046	0.7
121.02994	0.8
123.04541	0.8
125.02474	5.3
125.03314	0.5
131.01385	1.3
134.03731	1.2
135.04526	94.6
140.47734	0.5
149.02489	0.7
151.00375	100.0
154.49945	0.6
161.02419	1.8
165.02002	0.9
169.01534	0.9
175.00346	6.6
187.07722	0.8
191.05609	7.5
193.01419	2.5
269.35272	0.5
285.04361	0.6
287.05643	77.6
293.08783	3.1
389.21786	2.5
449.10794	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	449.1093
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03441	0.6
59.01383	33.9
63.02397	1.9
65.00327	10.5
71.01379	2.0
73.02940	0.6
73.79733	0.4
82.74089	0.4
83.01382	5.7
85.02940	8.6
87.00871	1.8
89.02444	0.4
92.10099	1.3
93.03461	4.3
99.72271	0.4
101.02428	0.9
105.90908	0.3
107.01389	20.8
109.02942	2.2
111.04524	0.6
113.02468	0.5
124.61651	0.4
125.02462	3.8
127.04012	1.7
133.03064	0.6
134.03731	0.9
135.04526	85.5
137.02420	0.8
151.00378	100.0
159.04506	0.4
161.02431	0.7
169.01434	1.8
171.02946	0.5
172.05328	0.5
173.04543	2.1
184.84833	0.5
187.07678	6.0
191.05626	49.4
199.04071	0.5
213.09332	0.7
215.07297	0.9
225.05522	0.6
227.03572	0.9
243.06645	1.5
245.07108	0.6
257.08188	6.1
268.04095	0.5
269.04590	2.1
287.05640	61.1
288.05798	0.5
389.22070	2.1
449.10403	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	449.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71431	0.4
53.10133	0.4
54.53440	0.4
59.01385	23.7
59.19872	0.5
63.94522	0.5
71.01405	3.0
73.02921	0.6
80.54505	0.5
85.02956	1.1
89.02451	0.9
92.10105	1.0
93.03477	3.3
96.96027	1.0
98.95587	2.1
101.02452	1.1
107.05006	0.8
109.02972	2.2
115.92099	0.9
116.92831	5.0
117.68784	0.5
121.02917	1.3
123.79850	0.5
133.02988	1.1
135.04517	1.3
143.05042	0.9
145.06577	0.7
157.06679	1.1
159.04514	22.6
161.02448	0.9
165.01952	2.4
169.06548	0.9
171.04515	0.6
172.05336	1.1
173.06030	6.0
175.07607	5.2
180.05890	0.7
181.06602	3.1
183.04483	4.6
185.02431	2.5
185.06104	1.2
187.07587	0.8
191.05640	7.0
197.06100	5.5
198.06812	1.1
199.03992	0.9
199.07686	5.1
200.04770	1.0
201.05591	22.7
212.04813	0.6
213.05536	5.0
214.06392	0.6
215.07103	1.1
224.04845	2.6
225.05571	20.3
227.03606	1.1
228.04398	1.2
233.07959	0.6
239.03439	0.7
240.04301	7.5
241.05093	22.8
242.05922	0.7
243.06628	83.3
244.06906	0.7
268.03772	2.8
269.04565	61.8
269.67731	0.6
287.05630	100.0
288.06030	1.3
292.00864	0.6
311.69513	0.6
329.05902	1.1
334.56445	0.6
389.21570	2.8
431.09851	0.8
449.10825	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01888	0.4
50.51497	0.3
52.89876	0.3
55.01882	0.3
57.03451	3.1
59.01384	10.7
59.01656	0.6
62.83776	0.3
68.99839	0.5
69.03437	0.4
71.01380	0.6
71.05028	1.4
81.03452	18.6
83.01376	4.0
84.02184	0.4
84.31501	0.3
85.02979	0.5
93.03444	2.7
95.01395	0.5
95.05019	8.1
97.02940	5.6
99.04509	19.8
101.02458	0.6
105.03455	0.5
109.02994	1.4
111.04533	2.1
113.02445	0.5
117.03458	15.4
121.02972	0.5
123.04520	8.2
123.05370	0.6
125.02432	44.1
135.04535	1.5
137.02434	7.1
137.03389	0.5
139.04002	5.0
149.02444	0.6
151.00368	0.5
151.04044	1.9
161.02451	2.0
163.03958	0.6
164.01152	0.5
165.01898	1.9
167.03491	100.0
168.03847	0.6
173.37656	0.3
177.05426	0.4
179.03499	2.4
193.01392	1.6
197.04559	19.3
209.04579	2.2
235.02417	5.5
239.05626	0.6
265.03461	0.7
269.06705	1.8
287.07806	3.9
329.06686	20.0
354.74683	0.4
359.07703	3.7
389.21881	1.9
449.10999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03453	2.2
59.01384	33.3
60.01720	0.5
61.98836	2.0
65.00327	5.3
67.01908	0.5
68.99557	0.6
69.03454	1.1
71.01376	5.0
72.99306	0.7
73.02947	3.6
74.75400	0.4
77.38927	0.5
79.01877	0.6
81.03480	4.6
83.01394	6.4
85.02956	3.5
85.35414	0.5
87.04507	3.6
89.02457	2.9
93.03445	4.0
95.01388	2.4
95.05042	0.7
96.33270	0.5
96.96020	2.2
97.02959	6.8
98.95623	0.8
99.04572	0.7
101.02452	3.6
105.03477	2.3
107.01395	7.8
108.02146	0.6
109.02954	7.2
111.04525	0.6
112.98591	0.6
113.02450	3.5
113.06102	0.9
117.03498	0.6
119.03540	0.8
120.14753	0.5
121.02956	10.7
123.00891	3.1
123.04538	2.7
125.02442	22.1
129.01970	0.6
133.02980	0.9
135.04529	100.0
136.04816	0.7
137.02438	8.3
137.06075	1.2
139.04030	0.6
149.02463	10.5
151.00383	14.4
151.04007	1.9
153.01935	3.5
155.03511	2.3
155.10783	0.7
159.04449	1.1
161.02477	6.0
161.04575	0.8
163.00401	5.6
163.04033	0.6
164.01173	2.4
165.01929	11.8
167.03529	6.3
175.04065	0.9
176.38966	0.6
177.01930	2.1
179.03514	4.4
190.99904	0.8
191.03426	0.8
193.01430	54.1
195.03008	3.0
197.04605	0.9
200.92712	0.5
201.05533	0.6
201.11368	7.3
205.01454	1.0
205.05042	0.7
207.02895	0.9
223.02470	12.0
235.02502	0.9
239.05641	0.6
241.05139	0.6
243.06665	1.2
243.24565	0.6
255.05109	4.2
269.04453	0.6
285.04031	1.2
287.05661	2.8
287.57065	0.5
289.07257	2.2
311.05798	0.7
329.06714	65.8
330.07144	0.7
343.93127	0.5
359.07736	15.2
371.07721	1.0
389.22064	3.5
411.07635	2.8
413.10193	1.2
449.10742	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	448.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.16743	0.1
59.01383	2.8
61.98852	0.2
71.01062	0.2
71.01375	1.3
73.02950	0.4
75.04600	0.2
80.43942	0.2
83.01385	0.6
85.02946	0.9
86.03246	0.2
89.02424	0.3
89.03960	0.2
92.10743	0.3
99.00900	0.2
101.02435	0.7
101.44973	0.2
113.02438	0.3
117.03462	34.4
118.03759	0.2
119.05027	7.3
121.02966	0.2
128.52110	0.2
131.28389	0.2
145.02957	100.0
146.03293	0.7
147.52310	0.2
161.02454	0.3
163.04015	7.4
191.05627	0.5
192.50877	0.2
198.18706	0.2
256.03427	0.2
261.75351	0.2
270.74911	0.2
315.37579	0.2
328.05487	0.8
332.81137	0.2
448.10849	1.0
448.16193	29.0
449.16202	0.3
460.48993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.7
61.98856	0.2
65.07348	0.2
71.01397	1.2
72.64335	0.3
73.02921	0.3
83.01390	0.4
85.02946	0.5
89.39077	0.3
101.02415	0.3
112.62897	0.3
117.03465	33.1
119.05014	8.0
133.02946	0.4
145.02960	100.0
146.03308	1.1
151.00433	0.4
155.10765	0.3
163.04025	5.6
227.03505	1.1
228.03818	1.5
255.02913	0.7
256.03366	3.1
264.34204	0.3
271.02426	0.6
272.02814	1.5
284.03250	0.7
285.03717	2.2
286.04425	0.4
300.02722	0.4
301.03333	2.5
302.03827	0.6
448.09769	3.9
448.16080	27.6
449.15848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32465	0.5
51.43469	0.5
56.23659	0.5
57.03451	0.8
59.01386	100.0
62.50495	0.5
71.01379	12.5
73.02940	5.2
78.95912	1.4
79.95731	0.9
83.01428	0.8
85.02975	4.1
87.00914	0.8
88.56789	0.6
89.02451	10.0
96.96020	33.3
96.96967	1.6
101.02454	7.8
109.02966	2.7
113.02475	6.0
116.92909	0.9
119.03507	3.7
125.02448	3.0
135.04547	1.0
137.02417	1.0
143.03505	0.8
149.09718	2.5
151.03915	0.8
153.01967	1.4
161.02496	1.5
161.04544	3.4
163.00304	0.8
167.10789	2.7
179.03557	0.7
179.05640	4.7
195.03058	0.9
195.04936	0.8
196.03389	0.9
199.03902	0.7
225.11421	1.1
241.04904	0.7
255.05223	2.7
257.05698	1.1
327.05063	3.9
387.16348	1.3
387.20667	2.5
447.09439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07561	0.6
57.95451	0.6
59.01385	100.0
60.01726	0.8
61.98844	3.2
62.27038	0.6
67.78895	0.7
70.09451	0.8
71.01372	6.5
73.02943	1.6
80.67078	0.7
85.02951	1.6
89.02444	5.4
101.02445	4.0
113.02485	3.7
119.03502	0.8
123.08173	1.2
128.39247	0.8
129.01920	1.2
161.04564	2.7
161.78009	0.7
163.11331	0.7
189.12852	3.9
191.88029	0.7
207.13925	3.6
387.20200	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	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30395	0.7
59.01387	4.7
61.98836	3.0
78.95901	57.0
83.37852	0.8
92.10774	0.8
96.96984	6.0
147.65005	0.8
150.98030	1.4
152.99599	100.0
164.12962	0.8
171.00681	4.5
173.80548	0.7
183.89093	0.8
265.43930	0.9
285.04007	1.5
297.04019	3.2
299.05582	1.7
327.05142	5.5
357.06219	3.1
447.09448	4.2
447.21689	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	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75662	0.4
55.01891	0.7
57.03450	0.6
59.01384	100.0
70.25079	0.4
71.01385	8.5
71.48283	0.4
72.29602	0.4
73.02953	2.1
83.01392	0.8
83.05029	0.6
85.02944	6.0
87.00870	1.8
88.98831	0.6
89.02450	7.4
92.10748	0.8
93.03457	2.9
95.01385	0.9
96.95995	4.7
99.00878	0.7
101.02436	5.5
102.42352	0.5
107.04986	0.5
108.02186	0.6
109.02930	2.3
111.00912	1.0
113.02463	5.5
119.03468	3.0
121.02956	8.3
123.04519	0.5
123.08181	1.8
125.02446	0.9
129.01941	2.4
131.03389	0.5
133.02968	1.9
134.03703	0.5
135.04524	4.5
136.01620	2.0
137.02425	6.0
143.03519	0.7
149.02419	0.5
151.04036	0.8
153.01913	0.9
159.03088	0.5
161.02454	1.0
161.04536	2.8
163.00285	0.8
163.11272	0.9
167.03471	0.5
179.03453	4.7
179.05666	3.8
188.04701	0.5
189.12831	1.0
190.99861	0.7
195.02980	1.0
207.13853	3.1
239.05602	2.9
251.42464	0.5
275.96558	0.5
295.04495	0.6
299.07657	0.7
327.05072	1.8
387.20126	2.5
411.09491	3.4
447.09262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64846	0.3
59.01390	1.9
61.98827	0.9
73.00583	0.4
77.80511	0.4
78.95901	61.0
86.32140	0.6
96.96962	7.0
101.44463	0.4
109.54076	0.5
133.02924	0.7
149.00125	2.0
150.98041	2.0
152.99599	100.0
171.00668	3.2
223.13387	2.2
227.03419	0.7
228.22946	0.5
284.03381	0.5
285.04141	0.6
297.04141	1.0
298.04813	0.7
299.05859	0.6
327.05136	3.9
357.06137	1.8
432.06735	0.5
447.13513	5.2
447.21658	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	447.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35600	0.2
59.01382	1.3
59.40578	0.3
62.96413	1.3
68.47484	0.3
78.95905	52.1
83.46247	0.3
88.00906	0.3
89.93708	0.3
96.96970	3.3
102.63763	0.3
106.66022	0.3
133.02977	0.5
149.00107	27.5
152.99547	2.5
158.92580	1.8
162.37953	0.3
171.31461	0.3
176.21175	0.4
179.01149	3.2
205.16026	3.0
246.85652	0.4
267.11694	0.4
284.03455	0.4
298.04913	0.4
299.05679	0.5
327.05225	2.2
347.08224	0.5
357.05969	1.0
367.17413	0.5
392.16641	0.3
405.73535	0.4
417.12549	0.5
431.10373	3.5
437.34042	0.4
447.13547	100.0
448.13876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
75.00895	0.3
76.49134	0.2
90.17645	0.2
92.10848	0.4
93.38235	0.2
107.05032	0.4
109.02956	0.3
113.10793	0.2
129.07080	0.2
131.05016	0.4
133.02934	0.9
135.04533	1.6
137.09698	0.2
137.43726	0.2
141.07173	0.3
143.05020	1.1
145.06567	0.4
155.10805	1.1
156.05907	0.3
157.06573	1.2
158.03722	0.4
159.04529	17.4
160.05168	0.2
161.02444	1.3
171.04489	0.2
171.08090	0.3
172.05280	1.3
173.06065	4.3
175.07614	4.4
181.06622	1.4
183.04449	1.5
185.06076	1.4
187.07710	0.2
191.05701	0.2
196.05368	0.3
197.06065	0.9
198.06822	0.5
199.04070	0.2
199.07669	5.1
199.09755	1.5
200.04807	1.1
201.05600	16.8
213.05496	0.3
215.07176	0.8
224.04778	0.4
225.05562	4.0
227.03453	0.7
228.04306	0.3
241.05096	0.3
243.06635	100.0
244.07031	1.5
255.03058	0.8
265.97229	0.2
284.03278	0.3
285.04132	0.4
299.05832	0.3
306.76041	0.2
327.05060	0.9
357.06161	0.3
366.71289	0.2
447.08731	0.4
447.13812	0.4
466.70856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83427	0.2
56.11987	0.2
59.01381	0.3
63.02434	0.2
65.00338	0.4
69.55021	0.2
83.01450	0.3
92.66946	0.2
93.03456	0.5
107.01395	1.3
108.02171	0.3
123.04559	0.2
125.02427	0.3
132.02200	0.4
135.00880	0.3
135.04485	0.2
137.02495	0.3
143.03963	0.2
143.05026	0.4
151.00394	2.1
153.01962	0.4
155.06866	0.2
157.06557	0.4
159.04536	0.3
163.00409	0.5
164.01271	0.3
183.04530	2.2
185.02403	0.2
185.06017	1.0
187.04028	1.1
199.03911	0.3
204.75418	0.2
211.03986	2.8
213.05688	0.8
227.03525	84.8
228.04018	1.4
229.05080	3.3
239.03534	1.3
241.05006	0.4
243.02992	0.3
243.06596	1.3
255.03006	100.0
256.03741	7.9
257.04553	1.9
269.04678	0.4
283.02472	0.3
284.03287	68.6
285.04062	27.9
285.07330	0.4
299.05460	0.4
326.96600	0.2
327.05130	1.2
357.06003	0.2
447.09396	67.8
448.09723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1302
Annotation	Siebolside A
Peak:m/z	Relative Intensity
57.13091	0.2
59.01400	0.7
61.11840	0.1
62.35938	0.2
67.98222	0.2
72.50330	0.2
78.75916	0.2
81.03497	0.3
81.70213	0.2
90.94022	0.1
92.10163	0.4
93.03490	0.2
107.01414	0.2
107.05025	0.3
109.02963	0.2
118.39811	0.2
121.02929	0.3
129.07109	0.3
131.05083	0.4
133.02905	0.6
134.03725	0.2
135.04558	1.5
141.07117	0.2
143.05031	1.3
145.06578	0.4
156.05811	0.3
157.06587	1.2
158.03738	0.3
159.04532	17.3
161.02481	1.0
171.04500	0.3
171.08185	0.4
172.05299	1.2
173.06091	4.2
175.07663	4.8
180.05782	0.4
181.06619	1.2
183.04546	1.4
185.06104	1.0
197.06099	1.1
198.06871	0.9
199.03999	0.3
199.07680	4.0
200.04836	0.8
201.05605	16.0
204.04297	0.2
214.06395	0.3
215.07256	0.8
225.05586	3.5
228.04301	0.2
240.73773	0.2
241.05164	0.4
243.06653	100.0
244.07074	1.3
327.05206	0.4
447.13620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22593	1.0
55.01895	1.0
56.50552	1.1
57.03472	1.7
59.01393	92.7
71.01389	10.6
73.02973	5.6
79.01906	1.5
81.03445	1.5
83.01388	2.8
85.02961	5.9
87.00897	1.9
89.02455	7.0
95.01391	1.3
101.02454	4.9
107.01341	1.6
109.02963	8.0
113.02428	4.7
117.03448	1.4
119.03513	1.7
119.05051	2.1
121.02927	2.1
123.04472	1.7
125.02390	1.9
133.02032	2.0
133.02951	40.4
133.03880	2.2
134.03757	2.8
135.04520	12.2
137.02408	1.3
145.02957	2.5
149.02365	1.3
151.00365	6.1
159.04535	2.3
161.02475	12.4
163.00371	6.8
163.04007	5.9
165.01929	5.1
175.04019	7.7
177.01891	2.3
179.03615	1.7
179.05643	1.3
181.12419	1.3
183.04788	1.1
187.04057	1.7
189.05481	1.4
191.05620	14.1
193.01523	1.9
197.06090	1.7
199.03998	6.4
201.01976	2.0
201.05577	1.7
208.19435	1.0
211.04047	2.0
212.04959	1.2
213.05630	1.4
225.05586	5.5
227.03481	2.0
227.07300	1.4
231.06485	1.4
240.04326	1.9
241.05070	2.1
243.06601	22.8
251.03160	1.2
255.02988	2.6
255.06541	5.2
256.03857	2.0
264.05179	1.9
269.00943	1.1
269.04462	2.8
284.03275	53.0
285.04056	81.5
297.04080	32.9
298.04791	24.3
299.05643	42.1
304.80374	1.1
309.03864	1.5
311.05679	9.9
324.02859	2.3
325.03613	1.3
327.05139	100.0
328.05640	1.4
338.95972	1.1
339.05093	12.8
342.05975	1.2
357.06204	55.5
368.29767	1.2
369.06192	2.6
387.20212	6.8
403.36591	1.2
429.08365	6.9
447.09378	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96400	0.4
54.82526	0.5
57.93608	0.4
58.70945	0.4
59.01390	2.8
65.00330	0.8
66.04819	0.4
66.71337	0.4
77.03975	0.9
79.01887	0.8
89.29299	0.4
91.05488	0.7
92.13717	0.4
93.83290	0.6
97.02933	0.8
105.03515	0.6
107.01405	0.9
109.02970	3.3
119.05012	0.8
121.02962	3.1
125.02447	2.1
126.48751	0.6
133.02946	21.3
134.03825	0.7
135.04538	1.2
145.03003	0.6
147.04541	0.7
148.01674	0.5
149.02444	2.5
151.04079	0.5
161.02438	2.1
163.00378	2.6
163.04005	6.0
165.01912	3.3
175.04030	3.7
177.01962	1.0
180.32600	0.5
191.03453	2.1
193.01437	1.9
199.04082	2.5
201.01874	2.1
211.04007	1.2
211.07838	0.5
213.05641	1.0
225.05602	0.8
227.03520	0.9
231.06712	0.6
240.04332	1.0
241.04997	1.8
253.05074	1.8
255.02896	0.7
255.06714	0.9
269.04568	2.3
281.04608	0.7
284.03302	12.7
285.04068	8.6
297.04068	19.6
298.04794	11.6
299.05630	23.2
311.05536	2.3
325.03455	0.9
327.05157	100.0
328.05511	2.1
339.05219	3.8
341.06650	0.7
357.06210	26.6
369.06265	3.2
393.06274	0.8
447.09412	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64314	0.5
55.45269	0.6
57.87437	0.6
58.39547	0.6
59.01390	8.4
64.34215	0.8
65.00329	1.1
69.57259	0.6
71.01360	0.8
76.78436	0.6
77.03966	1.2
79.01879	0.9
83.19855	0.6
101.02426	0.8
107.01406	1.5
109.02957	3.4
119.05104	1.0
121.02951	4.2
125.02438	1.0
128.15358	0.7
132.53667	0.7
133.02954	29.3
134.03752	1.4
135.00874	1.2
135.04512	4.0
137.02498	0.8
147.04564	1.2
149.02444	0.9
151.00333	0.8
151.03990	1.2
160.32329	0.7
161.02457	1.6
163.00351	3.8
163.04004	3.6
165.01915	5.5
166.00963	0.8
175.03999	5.8
177.01952	1.5
183.04471	0.8
193.01498	1.1
197.06090	0.9
198.03291	1.2
199.04071	3.6
201.01936	3.0
211.04034	1.0
212.04793	0.8
213.05617	1.6
225.05608	2.8
227.03497	1.5
241.05040	3.5
243.03043	1.0
253.05182	1.8
255.03055	1.3
256.03879	1.0
267.06519	0.8
269.04645	1.5
270.05276	1.2
284.03296	10.5
285.04047	18.6
297.01385	0.9
297.04074	34.7
298.04880	24.0
299.05643	41.1
309.03964	1.0
311.05685	9.2
324.02878	1.4
325.03513	1.5
327.05164	100.0
328.05399	2.8
330.03757	1.0
339.05139	13.5
340.05646	0.9
341.06781	1.0
357.06229	63.2
358.06354	1.1
365.06448	0.9
368.75345	0.7
369.06235	3.8
411.07419	0.8
429.08228	7.6
447.09399	55.6
452.15482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26158	0.1
59.01390	2.2
61.98837	100.0
72.05393	0.2
73.02974	0.1
95.97141	0.1
97.11000	0.2
104.44955	0.1
121.02941	0.2
129.63637	0.2
162.02786	0.2
221.08301	0.3
222.08649	1.1
223.08716	0.6
224.08897	0.2
335.19482	0.2
410.86801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98823	34.7
64.34322	21.9
66.77697	19.3
67.30327	19.7
69.85424	19.9
81.98295	20.4
92.10131	41.4
117.07898	22.7
119.06696	22.2
150.26233	26.3
176.78571	24.2
187.92075	25.4
269.04633	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	445.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21147	0.3
57.62151	0.4
59.01385	100.0
59.51335	0.3
203.26213	0.4
227.55901	0.4
437.57129	0.4
445.35858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07323	9.4
59.01379	100.0
61.98846	8.3
64.74980	8.2
83.62511	10.0
120.50655	8.8
144.89394	10.4
258.11255	10.1
311.22491	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54811	0.4
54.23944	0.4
57.03461	2.0
59.01384	100.0
63.13813	0.4
71.01386	8.9
72.99313	0.6
73.02941	2.0
85.02944	5.1
87.00874	0.7
89.02436	11.8
89.06091	0.6
92.92455	0.5
95.01364	0.9
97.02955	0.7
101.02438	7.2
102.88114	0.4
107.05047	0.9
111.00891	0.5
113.02448	4.3
116.13924	0.5
119.03524	5.9
121.02952	0.6
123.04510	1.2
125.02479	0.9
127.07642	2.6
129.01935	9.4
135.04485	0.5
143.03552	0.6
149.02524	0.5
161.02463	0.8
161.04590	0.8
163.00391	0.6
163.11281	0.9
171.06613	0.6
179.05551	0.7
187.07553	0.5
187.11208	0.5
205.12369	5.7
237.07732	1.1
255.03026	2.0
269.04572	2.3
273.07568	0.7
274.08008	0.6
282.66089	0.6
289.38187	0.4
297.04227	0.8
343.44867	0.5
395.07712	0.6
396.08109	0.6
445.07898	2.6
445.13712	1.7
445.20486	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94704	0.4
52.21299	0.4
53.02274	0.5
53.68259	0.5
55.51616	0.5
55.77274	0.4
57.03453	6.8
59.01382	100.0
69.03458	0.6
71.01376	9.1
73.02938	10.3
74.05165	0.5
81.03480	0.9
83.01405	3.3
83.05055	1.2
85.02964	2.9
88.98817	0.7
89.02460	3.6
95.01415	0.9
95.47368	0.6
96.96081	0.6
101.02423	7.4
108.02149	0.9
109.02945	9.5
113.02443	5.2
119.03513	1.0
119.05112	0.6
123.04553	2.7
123.08164	0.9
125.02425	2.6
133.02939	0.8
137.02470	0.6
149.06050	0.5
151.04030	2.6
152.01143	6.9
153.01930	14.2
155.08688	0.9
157.10222	1.3
158.11832	0.5
161.02470	3.1
161.04575	1.1
163.00427	0.7
167.03537	0.6
175.11287	7.3
177.02003	0.9
179.03444	0.6
189.01945	5.0
195.03000	31.2
205.12286	1.1
223.13434	7.5
239.80856	0.6
255.05128	33.5
283.45685	0.6
285.04080	0.8
314.32547	0.6
315.07410	0.9
463.08588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59706	0.4
55.01861	0.4
56.68627	0.4
56.98693	0.4
57.03467	0.5
59.01383	100.0
69.72370	0.4
71.01377	17.0
73.02941	0.8
83.01379	1.0
85.02938	4.0
87.00871	0.4
89.02440	19.0
95.01378	1.0
101.02443	7.1
107.89760	0.4
109.06628	0.5
113.02457	7.8
119.03505	7.0
125.02428	0.4
131.03467	0.5
139.07657	0.5
151.07629	0.8
152.08426	1.9
153.09274	3.1
159.02942	0.5
161.04543	5.5
178.28619	0.4
179.05606	7.6
179.10828	2.9
205.12375	0.9
205.38362	0.4
223.13455	4.4
279.50433	0.4
371.96054	0.5
385.18805	4.6
445.20911	0.8
466.16367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67923	0.3
57.03473	0.4
59.01082	0.4
59.01376	10.2
59.01648	0.4
67.01877	0.4
71.01376	3.1
80.75903	0.3
83.01422	0.6
85.02989	0.3
89.02467	2.0
96.96029	0.5
101.02463	0.8
108.02139	3.1
109.02952	23.4
111.00912	2.4
113.02461	0.5
121.02951	0.4
123.00878	0.5
123.04529	2.3
124.01652	2.2
125.02448	0.8
139.00365	0.4
139.04036	0.4
149.02458	1.4
151.00305	0.4
151.02986	0.3
151.04008	2.4
152.01152	19.9
153.01945	42.4
165.02023	0.3
167.03531	1.6
177.01944	0.5
189.02005	0.4
191.03111	0.4
195.03004	79.9
215.83987	0.3
225.04025	0.8
234.86450	0.3
255.05130	100.0
256.05472	0.5
315.07236	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	445.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84244	1.2
59.01384	100.0
61.98848	1.2
66.18195	1.4
66.64089	1.3
78.95919	6.2
92.10175	1.5
92.65101	1.4
99.95870	1.5
99.96588	1.2
100.24213	1.3
105.56593	1.3
115.06870	1.4
117.81679	1.5
149.00101	8.9
183.75726	1.5
189.09241	1.9
205.16026	10.2
237.59831	1.5
316.57913	1.5
355.16867	31.3
385.18018	15.7
445.20126	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	445.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84574	0.6
53.76392	0.8
55.37792	0.7
57.03454	0.8
59.01381	16.6
61.98853	1.1
71.01381	6.0
73.02945	1.3
84.45412	0.7
85.02948	100.0
87.00883	1.6
89.02434	1.3
95.45210	0.7
96.96006	14.6
101.02455	1.9
108.02200	1.7
109.02951	15.5
111.00858	1.7
113.02499	1.4
115.00322	1.0
115.20322	0.9
119.05027	1.2
123.04498	5.4
125.02438	1.9
129.01935	81.1
133.02956	1.6
135.04527	1.0
139.73544	0.7
146.03757	0.8
149.02414	1.1
151.04008	1.6
152.01155	12.7
153.01941	25.9
161.02380	1.3
163.04027	1.5
164.04831	3.6
165.01900	3.6
166.02260	1.0
167.02347	1.0
167.03569	1.5
171.41930	0.9
175.02469	1.8
179.07097	1.4
189.01900	1.3
195.03003	47.6
197.03288	0.8
223.06093	3.7
239.16646	1.1
255.05133	49.0
285.04120	1.1
315.07367	5.6
401.09848	1.9
445.09799	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	445.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	44.1
57.03715	2.1
59.01381	100.0
71.01392	5.2
75.00867	23.6
78.95953	1.1
79.42577	1.0
85.02998	1.6
87.00900	4.7
89.02454	7.0
92.47187	1.0
99.04509	53.8
101.02420	11.2
103.00368	99.5
115.00410	2.5
119.03449	1.2
121.05067	4.9
125.02423	11.4
133.01404	4.8
135.04614	1.1
155.38658	1.3
161.04535	1.5
163.06183	1.8
175.56424	1.3
179.03555	1.6
184.55980	1.3
191.05635	16.2
237.55724	1.1
265.09293	47.5
265.11996	1.7
341.10779	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3534
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
61.15952	2.3
62.64713	1.9
65.17365	1.9
68.20628	1.7
71.05020	2.2
76.97742	1.9
78.67794	2.0
80.96213	1.9
83.05065	3.1
86.37603	2.3
90.19160	2.4
350.01825	2.4
383.33054	2.9
390.07043	2.7
399.36227	25.2
425.34436	25.4
443.35373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49597	1.5
55.71517	1.6
56.79254	1.6
59.01385	19.2
61.98838	1.8
70.68983	1.7
71.01401	7.7
75.24685	1.8
78.95955	2.9
85.00235	1.9
85.02953	100.0
87.04533	12.2
89.02477	2.5
93.03444	2.4
96.95999	16.5
98.55928	1.7
98.95616	2.7
101.02466	3.1
109.02975	25.2
110.40018	2.0
123.04546	3.2
125.02472	3.1
128.90234	4.7
129.01944	79.5
131.03513	19.4
133.02986	3.2
134.03845	1.9
137.02467	18.1
153.01939	46.9
179.03511	4.5
189.02048	2.6
195.03033	15.7
250.85135	1.9
255.05119	9.4
295.95883	1.9
315.07327	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23372	0.8
64.81444	1.2
78.09377	1.0
78.54653	1.0
97.66810	0.9
103.22644	1.0
106.05905	1.0
106.06615	1.2
128.33855	1.2
159.08504	2.3
161.06380	2.2
213.21352	1.6
237.39539	1.2
260.21561	1.2
277.07477	5.0
284.99777	1.2
286.50479	1.1
357.13809	2.2
359.15414	100.0
360.15555	1.4
427.21671	53.7
443.24957	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	443.2808
Annotation	Foetidinol
Peak:m/z	Relative Intensity
64.69892	0.8
70.29919	0.7
71.58781	0.9
92.10796	3.3
112.35674	1.0
121.06629	1.1
125.06066	7.6
151.04059	11.4
152.04756	1.0
155.80956	0.9
165.05519	1.0
166.02711	1.7
177.01823	1.4
179.03444	1.4
180.04311	13.8
207.10336	2.0
217.08682	5.1
221.08235	7.9
222.09019	3.8
235.09775	100.0
236.10553	19.2
247.09790	4.8
249.11339	7.7
261.11502	1.2
443.28076	96.7
444.28268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
54.28301	1.2
55.45852	1.3
59.01382	100.0
69.03447	1.5
69.12652	1.4
71.01376	26.6
73.02940	40.6
83.01407	10.2
85.02965	3.5
89.02451	3.3
101.02448	25.6
113.02489	5.8
116.92882	2.0
153.12859	1.8
161.04558	3.6
161.20644	1.5
177.16447	11.6
191.14444	2.3
195.17554	2.0
219.12730	1.6
221.87259	1.6
239.16521	8.1
374.34149	1.5
398.48547	1.6
401.21899	8.0
443.23047	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.47679	0.6
55.01885	6.4
57.03442	5.0
58.00599	1.5
59.01381	68.9
63.87379	0.7
65.99161	0.6
67.03424	0.6
67.25340	0.7
69.03462	1.1
71.01376	43.9
72.99316	4.9
73.02941	14.8
75.00879	1.4
81.03450	1.4
83.01379	9.3
85.02944	22.0
87.00876	4.5
88.98798	1.0
89.02440	22.3
93.03443	2.6
95.01392	4.7
96.96001	7.1
97.02953	1.4
99.00880	7.2
99.04543	1.3
101.02430	48.7
104.04565	0.7
109.02956	29.6
110.00540	0.6
111.00879	1.2
111.04539	1.6
113.02448	14.9
119.03479	7.9
121.02956	3.1
123.00885	0.9
125.02422	1.3
127.00365	29.7
129.01917	5.8
135.00877	0.9
135.04520	1.2
137.02451	3.8
143.03476	0.9
149.02492	0.8
150.05655	1.3
151.00365	0.8
151.04042	1.1
151.05920	1.2
152.01122	4.4
153.01929	36.8
161.02408	1.3
161.04578	3.6
161.06030	0.6
165.01941	24.4
171.11900	0.8
176.04770	3.2
177.01988	1.0
177.09254	1.1
179.03532	1.2
183.06223	0.7
187.07622	1.4
189.12856	1.7
191.05655	0.7
194.04524	1.1
195.02979	16.1
195.05051	4.4
205.08688	3.9
237.14981	1.6
249.11353	3.2
255.05116	3.9
263.07770	1.6
267.12372	1.8
276.28424	0.8
281.13739	0.8
292.27054	0.8
297.06192	7.1
355.10391	4.6
357.12219	0.8
399.09363	19.1
443.08969	19.0
443.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15170	2.0
51.62390	1.9
51.75736	1.6
59.01406	3.2
61.98830	2.6
78.95911	11.0
82.95428	10.9
84.72395	2.7
96.96009	61.0
96.96935	25.7
98.95600	4.7
99.00880	3.9
99.92577	67.6
100.93337	3.2
114.93430	3.0
114.96494	2.4
115.92075	69.2
116.92856	100.0
118.58424	2.8
118.89980	30.1
152.65172	2.4
154.64587	2.3
162.52487	2.5
184.04567	2.4
189.32449	2.8
251.44731	2.8
260.45389	3.4
289.96344	2.8
372.14874	3.1
382.10614	2.8
389.10651	12.4
403.08527	5.8
443.09140	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	443.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26707	0.4
59.01387	1.8
72.25999	0.4
73.02936	2.4
84.47816	0.5
99.00878	2.7
99.92574	11.8
116.92860	100.0
117.01917	3.3
117.92876	0.9
120.69996	0.4
120.89917	0.4
129.15674	0.5
148.79039	0.5
150.34451	0.5
182.55988	0.5
214.05864	0.5
319.42184	0.6
386.95898	0.5
434.54156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.07445	0.6
59.01388	80.8
64.87991	0.7
66.21452	0.9
68.87366	0.7
69.03477	1.5
71.01388	11.9
72.99310	0.9
73.02954	15.3
82.88129	0.7
83.01407	1.8
85.02977	7.4
85.67130	0.8
87.00901	4.7
89.02446	3.9
91.01924	1.4
95.01370	1.3
96.96015	3.2
97.02972	3.4
98.07674	0.7
99.00895	4.6
101.02449	8.2
101.68114	0.8
109.02962	39.3
110.02406	0.8
113.02448	4.5
117.03447	1.1
119.03504	1.6
123.04478	2.9
125.02438	1.4
129.01926	1.3
132.02171	0.9
133.02953	35.3
134.03737	8.9
135.04536	9.9
136.01662	10.6
137.02425	1.8
141.01935	4.6
142.16615	0.7
145.02946	1.9
146.03749	3.3
149.00929	1.7
151.04002	1.3
152.01125	1.8
153.01952	50.6
159.04533	1.1
161.02452	100.0
161.04617	3.5
162.03249	18.7
164.04823	3.8
175.03999	0.9
177.05576	16.2
179.03482	5.1
179.07146	10.9
195.03008	7.8
195.04590	0.8
199.04378	0.8
219.10530	0.9
231.10190	1.2
249.11436	0.8
251.05643	7.1
281.11435	1.3
295.04623	11.0
311.11511	7.5
313.05780	1.8
425.07159	10.3
443.09253	1.7
443.15509	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	442.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61524	0.2
56.62885	0.2
59.01381	2.8
61.98820	0.2
65.43294	0.2
70.97196	0.2
71.01377	1.0
73.02937	0.6
78.62115	0.2
90.48013	0.2
95.01405	0.2
101.02430	0.3
104.05048	1.0
106.06629	100.0
107.06976	0.4
118.06619	2.6
120.08146	0.3
128.98785	0.3
130.08708	0.9
146.06148	1.2
148.07704	0.4
150.05617	51.2
151.05913	0.5
162.05656	0.4
164.07185	12.0
164.99083	0.2
192.06688	6.3
194.04604	7.4
236.05594	0.4
319.21640	0.3
334.97916	0.3
338.08942	0.5
398.10947	5.1
398.22003	0.3
450.39270	0.2
460.59323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.98854	0.4
62.99288	0.3
71.01381	0.7
73.02940	1.2
79.62072	0.3
106.06628	100.0
107.06954	0.4
108.08194	6.7
113.02521	0.5
117.03416	0.3
118.06618	0.6
120.08185	0.7
130.06660	0.4
131.03760	1.7
146.06056	0.5
150.05614	39.0
162.64842	0.3
164.07176	8.0
174.05539	0.6
192.06656	4.1
194.04597	14.5
236.05618	1.9
338.08859	1.4
398.10870	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	443.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05175	1.2
51.51036	1.0
51.59876	1.0
55.01876	11.0
57.03454	8.7
58.00604	1.2
59.01383	78.9
63.59261	1.0
69.03471	1.6
69.28848	1.1
71.01378	42.1
72.99307	5.3
73.02940	27.7
75.00871	5.9
81.03457	2.8
83.01378	12.2
85.02954	24.4
87.00880	7.8
88.98770	1.9
89.02436	20.3
91.01880	1.5
93.03461	4.7
95.01392	7.7
96.96008	7.4
99.00874	8.7
99.04495	5.3
99.92589	2.6
101.02435	88.1
107.01445	1.4
108.02193	3.0
109.02951	79.6
111.00837	1.7
111.04533	1.6
113.02427	17.0
114.80230	1.3
116.92887	18.9
119.03497	8.3
119.04939	1.5
121.02929	5.3
123.00869	3.0
124.01668	1.8
125.02443	2.8
127.00372	95.2
129.01945	9.5
132.04509	2.2
133.02924	2.6
133.04936	2.3
135.00842	2.8
135.04517	2.9
137.02444	11.2
143.03508	1.9
147.04495	2.0
149.00912	3.0
150.05637	2.3
151.05913	1.9
152.01140	9.8
153.01941	100.0
161.02399	7.9
161.04538	10.4
165.01932	57.5
167.03333	1.7
173.04553	1.5
176.04736	9.0
177.09190	6.9
179.03543	1.7
194.04526	2.4
195.02965	47.0
195.04999	11.7
205.08719	10.4
219.08685	1.7
229.91631	1.2
231.10226	2.3
237.04066	1.7
242.44289	1.2
249.11325	6.5
249.94769	1.3
255.05180	15.1
263.07651	8.5
266.31396	1.1
267.12384	2.8
297.06213	24.9
355.10452	12.0
399.09341	48.5
443.02371	2.4
443.08514	54.9
443.19229	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.01693	3.4
61.56121	1.2
61.98845	1.9
73.24541	1.1
96.96026	2.7
98.02514	1.2
102.25939	1.4
179.75327	1.4
290.52216	1.6
430.65317	1.5
437.36450	1.5
441.25211	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	442.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93365	0.4
55.13166	0.5
56.62971	0.5
59.01384	3.0
68.99817	6.8
71.01414	0.7
72.36053	0.5
73.02962	1.0
73.49052	0.5
80.05059	23.1
85.02957	0.7
92.05059	0.6
94.06638	0.7
96.95987	4.8
99.92640	0.6
101.02475	0.9
104.04436	0.5
104.05067	3.7
104.79346	0.5
108.04572	3.1
109.03011	0.8
116.92878	3.4
120.04550	0.8
121.02962	2.1
122.06109	10.2
132.04555	63.0
135.04587	0.6
138.05611	6.5
148.04088	0.8
150.05621	84.8
153.01979	0.7
155.54860	0.6
162.05612	2.6
180.06747	2.5
190.05151	2.3
194.04610	100.0
195.04904	0.6
208.06198	17.3
236.05658	18.4
338.08951	1.3
356.09967	0.8
398.11020	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	441.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17600	0.3
55.01889	0.4
57.03475	0.4
59.01384	2.5
60.39452	0.3
71.01382	2.9
73.02952	0.6
81.03477	1.7
84.02215	0.5
85.02970	1.6
87.00881	0.5
89.02454	0.4
96.96020	0.4
97.06602	1.7
99.04535	1.6
101.02475	0.8
109.02968	0.8
113.02477	1.6
115.01891	0.4
117.03492	0.6
119.05077	0.5
121.03017	0.6
125.02465	0.8
126.31229	0.4
132.02165	2.3
133.02957	41.9
134.03714	1.8
135.03493	0.6
135.04533	16.6
137.02451	7.7
139.04044	0.4
153.01968	0.5
159.04486	0.8
160.21286	0.4
161.02455	100.0
175.07640	0.7
177.01912	0.4
179.03505	9.1
180.03960	0.4
202.10049	0.8
217.08751	2.7
217.12328	1.4
227.37910	0.3
275.09305	0.4
299.07797	0.5
323.87122	0.4
337.02039	0.4
361.23245	0.4
441.14096	39.2
463.90176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34295	0.2
59.01384	11.7
65.91383	0.2
71.01378	3.3
85.02975	1.2
89.02431	3.1
92.10037	0.3
101.02440	2.8
105.03452	0.5
109.02961	0.6
113.02463	1.4
117.03436	3.3
119.03507	1.2
119.05033	1.9
123.04562	0.3
127.45265	0.3
131.06512	0.3
132.02165	1.7
133.02950	38.4
134.03708	0.5
135.04521	13.3
137.02467	1.4
139.04066	0.2
139.46906	0.3
145.02959	9.1
148.05249	0.3
149.06122	0.5
161.02441	100.0
162.02789	0.5
163.04005	1.7
177.05528	1.8
179.03496	11.1
187.04031	1.9
203.03534	5.9
205.05121	0.4
221.04510	1.8
233.04680	0.5
246.33038	0.3
251.05579	0.6
265.06949	0.3
281.06720	3.4
282.35568	0.4
323.07986	0.5
325.09192	1.2
336.06119	0.3
341.08780	11.4
362.51590	0.3
381.17807	0.4
423.12845	0.5
441.14041	13.3
458.59378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.141
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
57.03466	0.5
57.20461	0.3
59.01387	11.9
62.51242	0.4
71.01380	4.9
71.01692	0.3
71.05043	0.5
73.02963	2.0
75.00880	0.4
83.01392	0.6
85.02969	1.7
89.02455	3.8
89.06091	2.4
101.02444	3.5
109.02976	0.5
113.02473	2.6
117.05592	1.6
119.03514	1.9
121.02963	2.6
123.04531	0.7
125.22915	0.4
132.02167	0.8
133.02953	33.4
134.03711	2.2
134.37611	0.4
135.04529	16.7
137.02548	0.5
145.03006	0.5
147.03020	0.5
149.06073	2.1
161.02449	100.0
165.04080	0.5
177.05594	3.1
179.03490	11.4
179.07120	0.6
204.07930	0.5
219.10374	0.7
221.04634	4.5
237.07661	2.2
237.11389	1.0
251.05675	3.2
269.50021	0.4
279.10809	0.9
281.06769	7.0
283.06906	0.4
323.07858	3.4
341.08893	2.7
441.14029	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	441.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55344	1.1
54.69048	1.2
57.03451	1.6
59.01392	100.0
71.01395	13.0
73.02953	6.8
75.00883	1.8
83.01387	1.4
85.02966	7.7
87.00932	1.5
95.01392	1.6
101.02440	15.3
113.02466	6.3
121.02959	5.2
133.02969	2.5
134.03751	6.8
135.04558	2.3
155.42860	1.4
159.02994	1.5
161.02435	1.7
161.04587	8.1
177.01848	2.2
178.02707	5.8
218.53383	1.5
251.11391	16.6
293.12527	8.9
355.35529	1.4
441.14255	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	441.1411
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
52.53576	1.3
56.69920	1.4
57.03458	2.1
59.01382	27.2
61.18879	1.3
68.99837	1.6
71.01379	21.7
73.02943	14.2
73.85143	1.4
74.19313	1.3
75.00901	1.6
78.11713	1.4
83.01398	1.8
85.02937	13.5
85.37586	1.4
89.02449	9.8
93.03466	7.4
95.01387	3.5
96.96037	1.6
97.02966	3.1
101.02455	7.9
109.02976	5.6
113.02451	20.0
115.03999	11.7
117.03465	23.1
119.05019	84.4
121.02964	2.4
131.05026	3.1
132.02165	2.0
132.05847	3.1
133.02945	35.5
133.06569	12.9
134.03687	7.2
135.03511	2.4
135.04529	43.5
136.04836	2.5
145.02960	97.2
147.04517	6.6
149.06039	3.4
153.01970	9.9
159.04509	7.3
161.02451	100.0
161.04643	3.3
161.06061	31.8
162.02858	8.0
163.02928	3.3
163.04018	70.9
173.06087	2.8
176.04773	2.9
177.05605	20.0
177.09131	1.6
179.03514	21.0
181.03857	1.9
187.04036	23.6
191.07118	3.2
193.05113	1.9
205.05121	32.4
205.08868	2.1
217.05130	2.3
217.12390	7.7
235.06096	9.4
249.11392	3.4
255.05118	3.5
265.07211	6.0
266.66837	1.6
267.12302	1.9
307.08185	2.3
323.07806	18.4
325.09314	17.2
397.11462	18.8
423.12839	5.9
441.13474	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75241	0.2
59.01382	1.8
71.01405	0.3
78.68260	0.2
87.00853	0.2
101.02428	0.2
107.05035	0.2
109.02966	0.4
121.86737	0.2
129.07091	0.2
131.21144	0.2
133.01454	0.3
133.02946	1.1
134.03755	1.8
135.04529	1.8
137.02419	0.3
141.07120	0.3
143.05096	0.2
145.06592	0.3
147.03049	0.2
157.06580	1.2
158.03787	0.4
159.04533	10.4
161.02451	2.6
171.08159	0.3
172.05270	0.8
173.06056	2.7
175.07664	3.4
178.02802	0.2
179.03517	0.3
181.06625	0.5
183.04546	1.0
185.06033	0.4
187.07600	0.4
197.06165	0.4
199.07661	3.5
200.04822	1.0
201.05598	12.1
202.06178	0.3
208.45381	0.2
214.75610	0.2
215.07028	0.3
225.05643	2.8
231.10323	0.3
243.06653	100.0
244.06950	1.1
275.09357	0.3
275.30676	0.2
293.10223	0.5
339.78857	0.2
405.11942	9.5
430.87958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
57.03445	0.2
59.01366	0.9
59.16265	0.2
71.01375	0.3
73.02945	65.2
78.95913	0.4
94.43956	0.2
96.96007	3.4
96.96952	0.4
98.95590	2.1
98.96454	0.3
99.00875	7.8
99.92590	0.3
101.02436	0.5
104.80549	0.2
116.92856	4.7
117.01935	100.0
118.02284	0.3
130.08754	2.1
131.09082	0.5
135.11922	0.3
153.19081	0.3
161.04565	0.3
162.26764	0.2
164.90060	0.4
259.11923	0.2
366.92606	0.3
446.88510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28222	1.0
59.01386	100.0
61.98846	2.3
69.87312	1.1
72.95338	1.0
87.41627	1.2
97.52763	1.4
103.14500	1.6
133.02966	1.7
149.02362	1.4
151.56857	1.6
161.02419	4.8
184.24336	1.4
217.12462	2.3
222.90036	1.1
228.09613	1.2
235.13431	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	439.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38082	0.5
91.86937	0.6
124.23365	0.7
130.82678	0.8
145.10582	100.0
146.10860	0.7
164.03011	2.8
165.03833	0.7
196.01987	1.6
198.69928	0.7
205.67654	0.6
277.16165	1.0
310.16086	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	440.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95478	0.6
61.98831	100.0
62.24246	0.5
65.24403	0.7
104.84347	0.7
126.95910	0.7
143.08519	0.6
153.28310	0.6
185.94521	0.7
224.86948	0.7
278.09387	0.8
332.37305	0.8
377.07507	0.7
455.19565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	67.8
64.69313	2.5
67.68546	2.1
71.01380	25.1
72.99323	2.8
73.02943	42.6
79.27110	2.6
81.42214	2.6
83.01408	12.9
101.02425	19.6
108.02219	3.6
113.02457	6.0
125.02455	5.5
128.79703	2.8
133.03006	2.4
137.09686	17.8
150.28154	3.0
151.11295	20.6
155.10786	12.3
161.02437	4.7
169.12328	4.7
179.10794	100.0
191.10889	2.5
197.11803	9.8
209.11926	10.9
217.06487	4.3
258.55692	2.9
378.37128	3.2
393.15610	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	439.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17307	0.5
57.03464	0.6
58.69780	0.5
59.01386	8.3
62.04674	0.6
71.01403	4.2
73.02963	2.5
80.69464	0.6
83.01383	2.5
85.02941	6.0
87.00883	21.5
87.28081	0.7
89.02446	2.6
89.17645	0.7
96.47003	0.6
97.02956	0.6
101.02455	4.1
113.02460	13.6
115.04002	5.2
117.03468	23.4
119.05027	11.9
132.02180	1.2
133.02956	37.8
134.03729	1.1
135.04524	14.4
137.06133	0.6
145.02962	63.9
149.00854	0.8
149.05983	1.0
161.02454	100.0
163.04001	13.0
170.60846	0.6
177.05519	1.1
179.03502	7.7
187.04111	1.2
205.05099	0.7
221.04446	0.9
233.79311	0.7
251.05508	0.7
253.47409	0.7
267.12860	0.6
281.06595	3.4
300.67953	0.7
307.08414	6.5
323.07916	1.4
341.08817	1.5
395.09824	4.1
395.13583	4.6
421.11469	1.2
439.12488	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31571	0.2
62.96387	0.4
78.95912	55.1
91.30819	0.3
92.10736	0.5
96.96059	7.3
96.96961	100.0
106.54266	0.3
106.91465	0.3
117.51356	0.3
121.14121	0.3
149.86565	0.3
162.93890	0.3
292.90689	0.4
439.08459	1.9
443.83646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.0
62.92999	0.5
69.36459	0.4
69.58190	0.5
72.99319	0.6
84.62516	0.4
85.02990	0.6
87.00886	9.5
89.02477	0.7
97.06579	6.6
103.00392	3.6
105.03529	0.6
112.98814	9.1
117.03503	0.5
119.05060	0.6
130.08702	1.1
133.02959	8.6
134.03743	100.0
135.04527	11.1
137.02457	2.3
139.04060	0.6
145.03043	0.7
161.02451	9.7
177.01912	3.7
178.02721	16.1
179.03525	2.5
203.03574	0.7
231.10330	4.2
257.92520	0.5
275.09286	7.5
295.82181	0.5
307.11911	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50161	0.4
59.01381	11.4
59.51287	0.3
61.72749	0.5
63.79335	0.4
66.17976	0.4
66.82538	0.5
71.01398	3.0
72.50574	0.4
72.99315	0.5
77.80441	0.4
85.02948	0.8
87.00887	1.0
89.02451	2.8
90.15385	0.4
101.02436	0.8
115.01937	0.5
117.03449	0.4
118.38336	0.5
119.03453	0.6
132.02187	3.1
133.02953	42.7
134.03780	0.8
135.04514	19.1
145.03003	0.7
149.00868	0.5
149.06099	0.9
161.02446	100.0
175.04022	2.2
177.05573	2.7
179.03496	16.0
203.03551	11.9
205.27202	0.5
221.04555	1.9
233.04521	1.1
251.05573	1.0
263.12839	0.4
281.06729	5.6
317.99109	0.5
341.08853	12.7
439.12662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.4
59.01654	0.7
59.20065	0.4
71.01405	3.2
74.47327	0.5
80.56772	0.4
83.53061	0.5
85.02981	0.7
87.00909	0.7
89.02474	3.4
89.49068	0.6
89.49638	0.5
89.71768	0.5
92.10172	1.1
97.02934	0.7
99.09798	0.5
101.02454	2.5
107.05081	0.6
109.02953	0.7
113.02484	2.2
117.03442	1.1
119.03433	0.8
132.02165	3.1
133.02957	42.8
134.03806	0.8
135.04530	21.0
135.05490	1.1
137.02460	0.5
145.02971	1.1
149.00919	1.3
149.06116	1.3
161.02454	100.0
162.02795	0.8
163.03848	0.5
175.04010	1.2
177.05650	2.5
179.03528	14.3
187.07698	0.7
202.06396	1.1
203.03561	10.5
221.04671	3.1
231.10280	1.2
233.04498	0.6
251.05763	0.6
281.06750	4.3
341.08792	13.0
439.12613	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	438.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00527	1.4
59.01380	20.8
61.98830	100.0
67.76833	1.3
68.24809	1.2
71.01381	2.9
75.38700	1.4
96.44108	1.3
97.01583	1.3
99.00903	1.2
123.93526	1.3
133.02962	12.2
134.03163	1.8
136.04886	1.2
160.01643	2.5
161.02425	3.0
168.84935	1.2
178.02359	1.8
182.83223	1.3
195.03160	1.4
289.16599	1.6
341.08414	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	439.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
64.34342	0.2
78.94479	0.2
78.95905	1.6
79.95737	1.5
85.02938	0.2
92.10255	0.3
92.10757	0.2
96.96005	100.0
110.59768	0.2
126.34048	0.2
135.04527	3.5
138.67093	0.2
161.02357	0.4
179.03516	5.0
195.05101	0.4
233.18097	0.2
249.38683	0.2
306.36343	0.2
341.08789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75604	0.3
53.19080	0.3
54.42205	0.3
59.63619	0.3
63.87978	0.4
67.15462	0.3
74.22047	0.3
78.95899	27.6
79.95740	0.7
96.96008	100.0
96.96959	48.7
100.65379	0.3
119.04984	0.4
125.83340	0.3
130.66679	0.3
182.89955	0.3
210.71317	0.4
302.95688	0.4
315.02484	0.3
317.63577	0.4
327.51099	0.3
439.08057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75604	0.3
53.19080	0.3
54.42205	0.3
59.63619	0.3
63.87978	0.4
67.15462	0.3
74.22047	0.3
78.95899	27.6
79.95740	0.7
96.96008	100.0
96.96959	48.7
100.65379	0.3
119.04984	0.4
125.83340	0.3
130.66679	0.3
182.89955	0.3
210.71317	0.4
302.95688	0.4
315.02484	0.3
317.63577	0.4
327.51099	0.3
439.08057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64987	20.8
53.91050	19.3
59.01384	100.0
64.01642	22.2
69.18102	21.1
70.00258	27.2
74.51721	23.3
88.73703	20.9
89.76991	25.2
124.46357	22.8
133.02989	95.8
161.02353	47.1
179.03514	45.6
244.27943	23.9
261.71811	25.0
280.05972	51.1
340.46857	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.99661	0.4
78.60403	0.5
79.66916	0.4
90.13175	0.5
106.30608	0.4
120.91249	0.5
128.01047	0.5
379.81100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01382	32.5
62.37377	1.0
64.34090	1.2
66.82516	1.1
68.99842	1.1
69.03478	1.0
69.52475	0.9
71.01376	15.1
72.99292	1.9
73.02938	1.5
73.66931	1.3
75.00873	1.6
80.50466	0.9
83.01403	2.4
84.24966	1.0
85.02957	8.4
87.00874	9.4
89.02434	10.7
97.02959	1.4
101.02451	6.8
102.85383	1.2
104.14923	1.0
109.02962	4.7
111.00864	1.1
113.02452	12.5
117.03455	35.2
119.05019	16.7
125.02426	1.4
133.02953	15.8
135.04521	6.5
143.08791	1.4
145.02960	93.5
149.00879	7.2
153.01961	2.1
159.04520	5.8
161.02464	22.3
161.04591	1.9
161.06070	1.4
163.04010	15.9
172.05305	21.3
173.06097	7.9
175.03801	1.2
177.05511	1.2
179.03473	5.3
179.05618	6.2
181.59805	1.0
183.04529	5.4
187.04108	12.4
187.07655	100.0
189.01938	3.6
189.05579	6.9
189.09059	1.1
190.76158	1.2
199.04013	6.7
200.04819	10.5
201.05609	7.3
201.09291	1.4
202.06271	7.1
203.03447	1.5
204.04329	1.7
205.05067	1.6
213.05556	1.8
213.09250	11.7
215.07172	22.6
227.03455	8.8
228.04314	3.9
229.08739	7.0
231.06691	15.7
231.10268	9.6
231.77261	1.2
245.04532	3.5
257.08215	54.5
273.07672	9.4
273.11142	1.3
275.09305	5.8
294.79846	1.0
299.09286	4.1
303.08490	1.1
317.10403	2.1
393.11951	9.0
429.11591	1.2
437.10660	5.7
437.15338	2.9
437.23898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03446	1.6
59.01396	9.1
71.01399	8.3
81.03488	2.0
83.01427	1.7
85.02951	22.5
89.02481	1.9
92.10796	3.1
93.03465	3.0
97.02944	1.8
99.04504	2.8
101.02456	9.7
111.00861	16.6
113.02487	6.4
117.03469	31.6
119.05024	100.0
121.02976	5.9
127.03977	2.8
129.01936	18.2
133.02995	9.4
133.06599	5.9
135.04535	15.5
140.19576	1.6
145.02962	88.1
149.06075	2.1
159.04555	3.7
161.02478	26.9
161.06093	13.2
163.04018	85.1
177.05577	11.0
177.58372	1.5
179.03514	8.6
187.04050	18.8
191.07176	1.5
205.05099	17.0
215.43404	1.7
221.04623	3.6
251.05486	1.7
281.06644	6.9
325.09387	5.2
341.08789	2.9
393.12073	1.9
437.11008	15.1
437.24011	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	437.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01383	19.3
59.01650	0.9
61.36028	0.6
64.91017	0.5
68.99820	0.8
71.01396	7.9
75.26089	0.5
83.01393	0.9
85.02950	3.9
89.02442	5.8
92.10141	0.7
95.01402	0.7
101.02457	3.8
109.03002	2.2
111.00903	0.7
113.02441	5.2
119.03519	1.4
119.05046	0.7
121.02899	0.7
129.01917	1.2
133.02986	2.8
134.03720	0.6
135.04541	2.9
145.02817	0.7
151.03932	0.6
159.04526	2.8
161.02425	8.3
163.04028	1.0
170.62300	0.6
172.05312	17.6
173.06107	3.9
175.04019	0.6
179.03537	1.0
179.05621	0.7
183.04564	5.2
184.05278	0.7
185.06125	0.8
187.04131	4.9
187.07657	100.0
188.07991	0.7
189.05582	2.7
197.06111	1.1
197.34811	0.6
198.06987	0.7
199.04031	11.7
200.04842	7.4
201.05603	2.9
202.06331	3.9
204.04338	4.4
211.04094	2.6
211.07651	1.1
213.05664	0.7
213.09245	13.1
215.07187	18.9
227.03539	14.4
228.04248	5.0
229.08720	5.8
231.06688	6.6
231.10245	9.3
257.08218	64.5
258.08582	0.9
273.07794	3.2
275.09360	4.0
317.10275	0.6
347.08096	0.8
377.12457	0.7
393.12183	3.9
437.14456	2.8
437.23276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11306	0.3
58.95931	0.3
59.01381	1.3
61.98834	100.0
64.78486	0.3
65.10548	0.3
74.72282	0.3
77.95761	0.3
80.40965	0.3
108.38458	0.4
118.87372	0.3
123.61371	0.3
292.08691	0.4
346.79785	0.4
348.76740	0.3
462.04214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
56.75955	1.2
57.03464	10.6
59.01402	1.7
60.80169	1.0
67.13944	1.1
68.99572	10.1
73.02966	6.7
85.02968	2.0
89.02468	1.2
90.32581	1.2
99.00910	1.9
101.02441	87.9
112.98558	10.3
129.01923	2.0
145.01436	100.0
184.00926	1.4
215.54015	1.3
291.12064	1.6
292.59277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
70.96524	0.8
71.01392	5.2
81.27394	0.9
83.01385	1.4
85.02978	0.9
85.61465	0.9
89.02457	5.3
92.10114	1.0
93.00132	0.8
95.01432	1.0
101.02454	4.1
113.02468	5.4
119.03484	3.0
132.02200	1.1
133.02950	29.2
134.03741	4.8
135.04517	63.8
137.02425	1.7
137.36792	0.8
143.53873	1.0
148.05316	3.2
149.06096	12.9
161.02449	100.0
177.05574	20.5
179.03516	48.8
203.03500	1.4
221.04588	27.2
245.92076	0.9
251.05612	13.5
281.06686	44.6
323.07568	1.2
341.08810	15.6
437.10938	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	435.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20610	0.5
54.55322	0.7
57.03455	12.4
59.01384	36.0
61.65798	0.6
61.98830	0.8
71.01396	3.8
71.52354	0.6
73.02942	9.4
73.03223	0.6
78.03391	0.6
79.39970	0.6
83.01396	0.7
85.02956	5.3
89.02435	0.8
101.02434	1.7
103.04017	100.0
105.60039	0.7
109.02955	1.4
113.02500	0.8
189.01913	3.6
190.02747	6.6
213.14957	4.9
229.08716	0.9
273.17142	3.7
325.07254	9.0
328.20432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63956	1.3
54.82661	1.5
59.01390	100.0
59.73491	1.3
64.34350	1.2
65.83449	1.5
66.74580	1.3
68.70850	1.3
72.51503	1.3
76.57516	1.8
78.15124	1.3
78.66676	1.4
78.95904	47.9
96.96970	5.9
134.21518	1.5
150.97981	2.5
152.98355	2.0
152.99597	60.2
171.00671	1.7
175.19414	1.5
347.39334	1.5
435.25272	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	435.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82604	0.8
57.03458	1.1
58.00616	3.6
59.01382	100.0
60.45909	0.6
67.44486	0.7
67.63699	0.8
71.01377	48.7
72.99316	1.8
73.02966	0.9
76.57633	0.8
83.01415	1.2
85.02941	10.4
87.00890	1.7
89.02438	68.1
95.01395	3.8
96.96024	3.3
101.02440	19.1
106.02296	0.8
109.57343	0.9
113.02450	20.9
119.03493	25.1
131.03529	1.8
143.03499	5.9
149.02434	6.2
149.04504	1.1
150.03226	14.9
161.02417	1.2
161.04633	6.5
162.03307	1.5
164.04785	3.4
165.05571	20.2
179.05621	35.5
195.06714	6.0
209.95222	0.9
221.59605	0.8
232.54330	0.8
246.56702	0.9
315.04089	1.1
327.10999	1.9
331.71597	0.7
367.01807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73288	1.8
59.01390	8.7
65.10690	1.7
69.93392	2.5
73.42045	2.0
92.46124	2.1
98.22766	2.1
108.02151	2.3
109.02946	14.8
121.97012	2.2
122.03728	3.2
134.03769	3.1
136.07397	2.3
159.04504	3.0
161.13422	2.3
172.05310	3.1
173.13873	2.4
187.04044	9.8
187.07648	5.0
200.04858	3.8
205.12410	20.9
207.13910	8.2
215.07077	4.1
223.13431	10.0
224.14267	2.8
231.03049	2.4
249.11374	4.3
251.12909	3.7
283.15887	2.4
297.15103	3.2
309.15033	4.2
325.14639	3.6
343.15671	2.5
344.16254	4.9
371.15021	4.8
380.25797	2.2
385.16705	12.8
403.12305	3.2
403.17664	100.0
435.20425	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	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
59.01388	20.7
59.01691	0.7
61.98842	2.7
71.01373	3.4
73.02974	0.6
76.23317	0.5
83.01421	0.5
83.05014	0.6
85.02970	2.4
85.06539	0.6
89.02435	1.0
97.06602	1.1
99.08163	1.1
101.02460	0.8
111.08157	0.8
113.02457	2.2
114.88768	0.5
125.09723	0.8
130.52431	0.5
133.02936	0.6
161.02490	5.3
187.07661	4.4
187.13326	0.8
193.15993	22.0
211.17081	1.1
213.09293	0.9
229.18153	1.0
231.06444	0.5
237.14973	26.3
253.18060	2.1
255.16025	28.5
257.08231	1.0
257.39111	0.5
273.17105	100.0
274.17422	1.1
287.18765	2.9
297.17096	2.1
315.18112	1.1
357.90033	0.5
397.15045	1.0
435.22238	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	435.0939
Annotation	Swertianolin
Peak:m/z	Relative Intensity
52.75853	0.6
59.01386	7.9
70.22095	0.6
70.39703	0.7
73.02946	8.2
75.00861	1.4
76.07863	0.6
85.02953	1.0
87.04503	7.6
87.98299	0.7
89.06073	13.0
113.02475	1.4
119.05012	1.1
120.05335	1.0
121.02945	9.6
135.04530	1.2
153.01949	1.5
161.02454	3.3
174.03218	3.3
175.03978	1.3
177.04027	1.0
184.05287	0.8
184.51109	0.8
185.02486	6.9
187.03949	1.0
197.02531	1.0
201.01944	3.4
202.02730	6.1
213.01949	1.0
213.09203	4.0
215.03482	1.4
229.01436	68.0
230.02229	11.3
231.10085	1.3
237.07692	19.9
242.02107	1.7
243.02997	11.4
257.00931	100.0
257.08112	5.4
258.01715	41.6
259.02487	9.9
271.02527	16.9
272.03348	6.8
273.04062	22.1
313.07306	0.8
315.07819	1.5
318.42255	1.0
349.31744	0.7
399.12885	4.5
417.64716	1.0
420.07150	7.6
435.09360	82.4
435.22186	1.8
436.09634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08563	0.4
59.01386	100.0
65.96183	0.5
96.21452	0.5
148.57001	0.5
150.76112	0.5
232.59035	0.5
253.25368	3.1
299.25992	5.9
360.83749	0.5
391.23145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88274	0.4
54.27069	0.4
57.90657	0.4
59.01384	8.4
61.25906	0.4
61.98860	0.4
76.65198	0.4
80.15493	0.4
92.66094	0.4
101.06115	0.6
109.73263	0.4
119.42297	0.4
138.16339	0.4
138.79509	0.4
140.20425	0.5
153.66335	0.4
165.10344	0.4
207.13814	0.5
232.10918	6.9
289.18027	2.8
290.18646	3.1
316.16653	1.0
358.21609	0.8
374.24530	100.0
375.24908	3.1
418.43314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
59.01385	100.0
60.91062	0.4
62.18068	0.4
71.01389	4.6
73.02972	1.7
78.33182	0.3
80.29662	0.4
83.01409	0.8
85.02962	1.9
89.02490	0.7
92.51001	0.3
101.02445	3.3
113.02447	2.0
161.04568	1.8
187.32249	0.4
219.37706	0.4
373.22372	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	433.26
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.72482	0.5
58.47855	0.5
59.01399	2.1
61.98850	0.7
65.09604	0.6
66.15322	0.6
74.78764	0.5
78.95940	1.4
86.81038	0.6
111.53802	0.6
117.03478	2.4
121.00224	0.6
133.02959	25.8
134.03720	3.0
135.04530	11.0
137.02425	0.9
152.99596	2.7
161.02458	100.0
167.47742	0.6
179.03540	1.4
225.22298	0.7
271.22818	14.1
322.44275	0.7
373.00806	0.7
415.24780	2.7
433.26047	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80728	0.3
53.72562	0.3
59.01382	100.0
65.59000	0.3
71.01371	3.1
72.99301	0.3
74.80424	0.3
78.55181	0.2
85.02966	1.4
89.02447	3.1
92.10752	0.6
101.02424	2.1
113.02436	1.4
119.03498	1.6
151.00282	0.4
159.38919	0.3
161.02441	0.4
161.04475	0.6
179.05551	0.6
243.02823	0.4
255.03017	1.7
271.02368	1.7
300.02820	2.1
301.03583	2.1
346.66269	0.3
373.22339	1.6
403.17654	0.4
433.07910	0.6
433.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.71809	0.2
58.06141	0.2
59.01370	0.3
59.82891	0.2
78.95902	65.3
84.10999	0.2
90.84246	0.3
92.10756	0.5
96.96953	8.0
112.69497	0.2
127.48563	0.2
140.43375	0.3
150.98038	3.5
152.99591	100.0
171.00618	3.7
204.15273	0.3
279.23413	1.3
280.76575	0.2
388.03699	0.3
433.23663	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	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
57.78838	2.6
58.00603	3.2
59.01380	47.3
64.27362	2.0
69.84985	2.2
71.01366	24.0
78.95916	2.8
85.02961	16.6
88.98823	3.3
89.02454	16.8
89.04628	2.5
89.05501	2.4
95.01350	2.8
96.95988	33.0
99.92583	10.7
101.02428	4.6
109.02972	2.6
109.47568	2.2
111.58226	2.5
113.02459	38.6
116.09713	2.7
116.92850	100.0
119.03448	2.8
119.04971	4.3
121.02945	16.2
122.09515	2.4
133.02954	4.3
134.03746	67.6
136.01672	3.8
136.05283	18.1
137.06075	14.7
146.03772	3.5
148.01662	10.2
149.06096	48.8
150.03200	3.9
151.04004	17.0
153.05563	5.0
161.04599	4.1
161.06004	3.1
163.04042	30.6
168.04243	5.4
173.81013	2.4
175.27049	2.3
177.01964	2.4
181.05069	62.6
190.02745	12.5
193.05080	5.7
195.06630	29.4
202.21080	2.9
205.05067	52.7
211.06104	22.4
214.06934	3.0
214.79759	2.5
223.06146	44.9
235.06013	9.9
247.06049	4.6
253.07297	19.4
384.33832	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01382	8.7
61.07848	0.3
63.02391	5.2
65.00318	9.7
65.00632	0.5
67.07536	0.4
77.96022	0.4
83.01376	8.9
93.03441	10.0
107.01376	22.8
108.02162	4.5
119.05013	41.9
125.02478	0.9
136.01677	4.8
145.02975	1.0
151.00369	61.1
164.01138	4.7
165.01917	2.9
169.01393	1.8
177.01938	8.7
196.00093	0.7
227.07204	1.0
271.06155	100.0
272.06482	1.8
332.35870	0.4
433.11469	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	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82100	0.6
57.03472	0.7
59.01382	27.4
63.02404	0.7
65.00326	6.2
67.15452	0.6
68.51861	0.8
69.03452	0.8
71.01387	2.6
73.02934	1.0
75.65869	0.7
79.01896	1.2
81.03459	4.4
83.01382	6.6
85.02932	1.4
89.02455	0.9
93.03452	9.4
95.01405	2.7
95.05032	0.6
96.11225	0.7
96.95992	1.2
97.02934	8.2
99.00862	0.7
99.35531	0.8
101.02417	1.1
105.03484	2.9
107.01358	9.6
109.02934	2.3
119.05009	66.3
121.02942	9.8
123.00893	4.0
123.04530	2.6
125.02428	22.2
133.02943	1.4
133.40483	0.6
135.04475	1.1
137.02419	6.4
143.05028	5.3
145.02957	5.8
147.04500	1.2
149.02438	10.3
151.00357	19.2
152.75327	0.6
155.03488	2.5
161.02461	1.2
161.06091	2.9
163.00354	9.9
163.04063	0.9
164.01189	2.7
165.01921	15.4
167.03487	3.7
177.01907	4.5
179.03517	3.6
181.01193	0.8
185.06056	4.3
187.03999	3.7
190.99928	1.0
191.03532	2.8
193.01428	31.7
199.07713	1.5
203.07227	1.1
205.01454	3.4
207.02942	3.7
208.86287	0.7
219.03024	2.8
223.02519	3.9
227.07162	3.4
238.01657	0.7
241.08730	1.1
269.08301	1.5
271.06085	12.7
278.51395	0.6
283.06198	3.0
313.07211	100.0
325.07373	1.5
343.08267	23.0
355.08105	0.8
415.10385	1.6
433.11404	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	433.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34288	0.7
51.46476	0.7
51.64843	0.6
57.03456	0.9
57.45881	0.9
59.01387	10.9
60.99311	16.0
61.98839	10.5
66.51828	0.7
71.01383	1.6
72.99316	5.4
75.05404	0.8
80.27301	0.9
85.03011	0.8
85.68615	0.9
87.91800	0.9
88.98803	100.0
89.02397	0.8
96.96007	3.4
101.02466	1.4
108.01139	0.9
109.02991	0.9
113.02487	1.0
123.04533	1.8
125.02414	1.2
135.04514	4.0
161.02493	1.7
179.03514	1.4
180.27486	1.0
181.05107	1.3
196.03769	0.9
206.12465	0.9
211.06184	3.7
268.03360	1.0
319.29446	1.0
368.07172	0.9
382.31717	0.9
389.18234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55551	0.2
54.82894	0.3
59.01389	2.6
60.05426	0.3
62.10566	0.3
62.10897	0.2
63.02402	3.8
65.00326	7.3
79.60120	0.3
83.01389	5.5
85.62284	0.3
91.84881	0.3
93.03449	11.0
97.02950	0.4
107.01397	17.4
108.02203	0.6
109.32363	0.3
110.53231	0.3
119.05025	59.2
125.02453	1.8
131.01373	0.5
136.01672	0.6
145.02919	0.5
151.00383	51.2
164.01178	1.6
165.01936	2.6
169.01439	1.5
175.00343	1.9
177.01913	5.4
185.06119	0.5
187.04094	0.4
193.01405	0.7
193.69833	0.3
227.07178	0.8
229.05138	0.4
268.03848	0.4
269.04379	1.5
270.04584	1.3
271.06158	100.0
272.06479	1.9
313.07169	1.8
343.21207	0.4
433.10977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.22595	0.7
61.98831	100.0
90.31046	0.7
139.05208	0.7
148.02914	0.7
162.65718	0.9
356.79254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61907	0.4
54.13200	0.3
59.01380	3.2
63.17345	0.3
71.01379	0.8
78.95912	2.5
84.53515	0.3
85.02981	0.6
89.02454	0.9
92.64858	0.4
95.29587	0.4
96.96008	27.1
96.96929	3.4
99.92580	8.1
109.02951	1.5
116.92858	100.0
117.01968	0.5
117.92830	0.5
128.87698	0.4
131.03514	0.4
135.04510	0.5
138.83130	0.4
139.04018	2.3
153.01942	3.2
195.02881	0.6
315.07196	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	432.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	20.8
59.01392	15.1
59.25711	1.5
65.03197	1.5
66.03502	1.7
70.02982	1.6
71.01389	2.1
72.00915	2.5
74.02468	30.9
81.04582	1.8
81.30849	1.5
82.02976	1.8
84.04569	1.6
85.02978	1.9
85.47729	1.5
86.02466	16.2
86.06127	2.2
86.99123	1.9
87.05659	8.1
90.00208	2.5
93.03452	1.5
97.04081	2.4
98.94779	1.6
99.05645	33.9
101.07165	5.7
102.05611	7.3
109.02985	2.1
109.04085	3.8
111.05680	1.9
112.04048	2.7
113.07243	2.1
113.09767	2.3
116.01756	1.8
118.13985	1.4
122.18338	1.6
123.05613	1.9
125.03561	2.9
127.05149	3.1
128.03537	67.9
135.05661	7.0
137.07236	2.2
141.06720	9.1
143.04623	100.0
145.06259	2.7
146.04585	10.0
153.06711	7.8
160.00761	25.3
166.09860	3.8
167.04579	7.5
167.08208	6.0
168.81386	1.6
177.03401	6.6
179.04639	22.4
181.06184	2.4
185.05597	1.8
197.05695	3.6
210.08859	16.9
232.59021	1.5
254.07794	24.3
254.71465	1.5
272.08868	33.7
284.06509	3.2
288.06564	11.7
306.07709	92.6
312.05859	2.9
412.34570	2.0
432.18091	10.3
458.49106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.9
59.01385	100.0
61.27014	0.5
69.47155	0.8
71.01385	13.2
72.65708	0.7
73.02940	11.3
73.48866	0.6
76.57907	0.7
79.27230	0.6
83.01379	1.6
83.04994	0.7
85.02950	5.6
89.02462	3.6
89.47437	0.8
93.03441	1.3
95.01382	1.3
99.00899	2.8
101.02455	10.9
113.02475	3.9
117.03481	0.7
153.09193	1.6
159.04643	1.1
161.02481	1.2
161.04607	5.5
172.05301	3.1
187.07657	13.6
201.05650	0.7
202.06349	0.8
209.15486	2.7
215.07196	2.5
226.28412	0.7
231.06621	7.9
231.10280	3.1
268.03754	1.2
269.04599	0.8
283.06119	5.3
311.05676	8.0
341.06555	1.3
371.20755	19.3
387.10718	4.8
431.09958	4.3
431.22614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
59.06775	0.3
60.77161	0.3
61.98841	100.0
67.89860	0.3
71.01389	0.8
71.76429	0.3
74.99744	0.4
77.97330	0.3
83.48770	0.4
87.00888	2.4
88.98831	1.4
90.78458	0.3
102.59460	0.4
109.02962	0.5
115.00375	3.3
125.02407	0.7
151.04079	0.4
175.02484	9.8
455.52692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03444	0.8
59.01383	100.0
63.97607	0.5
71.01380	11.0
73.02956	4.4
83.01389	0.9
85.02947	5.6
89.02444	5.2
92.10857	0.6
95.01370	1.2
95.24459	0.5
99.00916	0.6
101.02429	7.5
113.02460	5.6
119.03511	0.8
152.63716	0.6
161.04565	1.1
208.43158	0.6
210.94421	0.6
311.05759	0.8
371.21027	5.6
385.77042	0.6
389.21799	11.4
391.09369	0.6
431.22778	0.7
439.57642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
56.00937	0.2
57.03458	1.2
58.00594	0.3
59.01382	100.0
62.36222	0.3
71.01380	9.1
71.05017	0.6
72.99308	0.3
73.02930	3.0
82.34363	0.3
83.01404	1.6
85.02955	4.8
85.04507	0.2
87.00874	0.5
89.02431	3.7
95.01390	1.5
96.96017	0.6
97.02961	0.3
99.00866	0.4
101.02431	6.5
113.02460	4.3
119.03506	1.4
125.02361	0.4
159.02991	0.3
161.04581	1.9
164.02837	0.3
371.20639	2.0
389.21893	6.9
431.22855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17838	0.5
50.64184	0.5
52.16127	0.5
57.03455	0.6
59.01387	100.0
69.03449	0.5
71.01382	8.3
73.02947	10.2
77.03970	0.5
79.01862	0.5
82.40276	0.6
83.01394	1.3
85.02983	2.3
89.02457	3.5
95.01363	0.7
101.02455	7.1
113.02437	2.5
117.03466	2.5
119.03492	1.3
119.23409	0.7
125.02454	0.7
131.05023	0.8
133.06604	2.2
135.04494	0.7
147.04535	7.1
161.02441	2.4
161.04643	1.3
161.06082	5.0
163.00459	0.7
166.62282	0.6
179.05602	1.1
189.05577	1.2
209.11832	0.7
281.04535	4.3
282.05276	0.7
283.06195	12.7
295.06070	0.8
311.05670	15.5
323.05972	0.8
341.06879	1.2
345.60123	0.6
371.20804	1.2
431.09915	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50861	0.6
55.26512	0.5
57.03448	0.7
59.01382	84.7
64.10536	0.5
65.78738	0.6
65.96923	0.5
66.83954	0.5
69.03468	1.4
70.98785	0.5
71.01388	5.6
73.02940	2.3
85.02956	3.3
89.02438	1.1
93.07106	1.2
95.01376	1.1
101.02429	2.2
109.02966	0.7
113.02450	4.9
117.03474	1.1
119.03538	0.7
119.08645	6.7
135.11787	8.3
145.34984	0.7
147.11807	16.8
161.04500	0.7
163.68059	0.7
165.12883	1.1
179.10802	6.9
181.12335	0.9
188.92287	0.6
190.05630	0.8
191.10799	13.3
209.11855	100.0
223.13374	0.8
233.11925	1.0
251.12888	2.4
271.45187	0.6
283.06140	3.2
311.05685	5.9
359.96182	0.6
431.10196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.14102	0.3
59.01380	1.2
59.75129	0.3
62.84476	0.3
67.67034	0.3
70.61367	0.2
78.95908	63.3
85.58504	0.3
85.62665	0.3
89.71684	0.3
96.96954	8.8
109.79217	0.3
119.97246	0.3
142.45615	0.2
150.98035	2.2
152.99593	100.0
161.02426	0.3
171.00612	3.4
238.85178	0.3
277.21649	0.6
287.33398	0.3
431.21960	6.1
459.37012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36346	2.1
55.01885	4.8
57.03470	2.2
59.01390	100.0
60.99305	4.4
61.55536	1.7
61.98836	67.3
63.68381	2.5
64.95941	1.8
71.01385	45.4
72.99297	4.2
73.02930	17.6
77.00072	2.4
78.45120	2.5
83.01393	16.3
85.02952	33.2
87.00883	12.5
88.98799	41.1
89.02419	20.7
92.10012	2.3
95.01369	3.3
96.95997	2.9
97.02943	2.5
97.23824	2.1
99.00854	5.3
99.92677	2.3
101.02432	47.6
101.29167	2.3
105.01959	2.6
108.70772	2.1
109.02959	44.2
111.00890	9.5
111.32040	2.2
113.02462	14.3
115.00361	4.2
115.04047	2.2
119.03465	4.8
123.04455	2.8
135.04544	9.8
137.02431	2.7
147.04555	4.1
148.05304	3.7
149.06058	3.1
151.03995	2.5
152.01157	24.4
153.01936	63.4
161.06076	11.1
175.02475	10.1
175.07678	2.5
180.07950	30.5
181.08719	2.8
191.07190	3.2
192.06494	2.9
192.07976	50.0
193.08707	5.2
195.03004	95.0
195.10292	21.3
207.10298	38.5
209.08229	3.7
210.09015	3.6
221.08182	9.0
225.11414	16.2
235.09741	5.1
255.02458	2.9
255.05130	91.3
296.26834	2.5
336.78625	2.2
357.15460	4.6
369.15579	62.1
383.13907	6.7
387.16663	48.9
401.14670	26.8
413.14551	9.8
431.11795	36.4
431.15930	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48155	3.4
59.01380	45.9
61.21515	3.2
61.98836	21.0
64.34299	4.3
66.62025	3.2
71.01379	29.0
73.02946	13.8
75.00864	4.3
75.67188	4.1
79.08460	3.6
83.01417	4.0
85.02983	4.9
87.00892	14.7
88.98817	22.7
89.02433	5.1
89.92931	3.3
91.05527	23.0
93.03452	5.6
95.01382	6.2
96.96001	7.3
101.02466	7.9
103.05556	25.9
104.31298	3.8
107.05003	4.5
109.02950	34.3
109.06593	38.1
112.61791	3.4
113.02467	5.6
119.05012	7.9
121.06587	24.1
123.04475	5.4
132.91553	3.8
135.04517	16.2
139.07648	33.5
139.08569	4.1
147.04498	7.7
149.06033	6.5
151.03972	4.7
152.01161	26.1
153.01968	60.2
161.02437	3.7
165.05569	8.5
176.56523	3.7
181.04927	4.3
183.06599	44.0
191.03564	7.7
195.02989	80.2
246.28677	3.7
255.05110	100.0
299.06711	5.8
311.32526	4.0
315.07126	8.0
341.05133	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	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83300	0.3
59.01389	7.7
61.43268	0.3
63.02412	1.5
63.34995	0.3
65.00344	1.4
66.81672	0.3
71.01404	1.4
76.84126	0.3
77.03990	0.8
79.01901	0.6
83.01405	2.1
85.02943	0.7
89.16876	0.3
92.10161	0.6
93.03465	1.3
101.02442	0.5
105.01029	0.3
107.01395	3.7
113.02447	0.5
117.03444	7.4
121.02995	1.2
135.04524	0.6
145.03015	0.4
148.01654	0.6
149.02440	1.7
149.99573	0.5
151.00377	5.7
159.04549	1.7
161.02451	2.1
163.03999	0.5
165.01974	0.6
167.05130	0.4
171.04433	1.3
172.05296	0.8
182.03699	0.4
183.04475	0.6
183.08142	0.5
184.05270	0.4
195.04593	0.4
196.05312	1.3
197.06161	0.5
200.04805	0.6
208.18317	0.4
211.04036	2.8
212.04781	1.8
225.05518	1.6
227.03517	0.6
231.10213	0.4
239.03554	4.8
239.07190	1.3
240.04297	5.9
253.05107	0.6
267.03033	2.1
268.03790	100.0
269.04562	75.9
270.04947	0.7
279.06616	0.4
281.04535	3.3
282.05353	2.6
283.06131	19.0
293.04697	0.7
295.06219	2.2
309.04068	0.4
311.05658	19.5
314.04306	0.5
323.05563	2.7
341.06693	5.3
358.74628	0.3
389.21588	0.4
431.09875	41.6
432.10321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0987
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
53.41282	0.2
56.69396	0.2
59.01377	2.5
65.00332	1.2
66.20232	0.3
71.01395	0.6
75.56686	0.3
77.03954	4.5
79.01905	2.0
83.01393	0.3
89.87906	0.3
93.03444	3.1
95.01432	0.5
97.02962	0.5
105.03490	1.5
107.01420	0.4
117.03457	15.3
119.05032	1.7
120.07075	0.3
121.02937	3.9
125.02463	0.4
131.01303	0.4
133.02934	1.2
135.04515	2.2
145.02904	0.4
149.02446	2.5
151.00342	0.3
154.01674	0.3
159.04492	3.6
161.02440	8.0
163.00378	2.1
163.04018	2.9
164.82872	0.3
165.01903	3.6
175.00388	0.6
175.04037	0.5
181.06583	0.5
182.03760	1.6
183.04538	2.8
183.08122	1.3
189.02071	0.4
191.03561	0.6
195.04549	0.4
195.08125	0.6
196.05243	1.2
197.06117	1.7
203.03461	0.4
209.06007	0.6
210.06871	0.5
211.07593	0.7
224.04852	1.7
225.05551	0.7
227.03543	0.5
237.05583	1.4
238.06290	0.5
239.03395	0.6
239.07170	4.3
240.04385	0.4
241.04913	0.3
251.07176	0.4
253.05058	2.6
254.05917	1.2
255.06677	0.5
268.03809	3.6
269.04572	9.6
279.06589	0.6
281.04559	14.7
282.05359	8.7
283.06140	76.5
284.06601	0.7
293.04547	2.5
295.06158	8.8
307.06113	0.4
308.03345	0.7
309.03934	1.6
311.05652	100.0
312.05972	1.3
314.04337	4.0
323.05658	12.7
325.07187	0.7
335.05359	0.4
341.06677	35.3
342.06799	0.5
353.06644	2.2
371.08115	0.3
390.02911	0.4
413.08713	2.5
421.67404	0.3
431.09872	50.8
432.10107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46891	0.6
53.33866	0.6
53.62933	0.6
54.01502	0.6
59.01384	100.0
65.00333	0.8
71.01379	8.8
73.02969	1.1
82.93338	0.8
83.01386	1.5
85.02968	2.9
89.02437	5.7
93.03455	3.2
101.02442	5.0
107.01412	3.5
113.02467	3.5
117.03472	1.8
119.03495	1.6
123.93985	0.7
125.02438	1.4
128.54068	0.7
135.00908	1.3
135.04498	1.5
143.05028	1.1
151.00398	1.7
159.04521	1.7
161.02457	1.6
161.04506	3.0
163.00366	3.2
164.01169	1.0
179.05582	0.9
182.21144	0.8
183.04510	1.6
185.06116	4.8
187.04021	5.0
197.05983	1.1
199.04060	1.1
209.11986	1.0
211.04070	3.6
213.05554	4.0
227.03537	64.1
227.07170	4.5
229.05070	13.8
239.03612	1.8
241.05080	1.6
255.03014	82.3
256.03809	5.3
257.04602	6.6
281.04605	1.7
283.05988	7.3
284.03302	64.5
285.04074	88.5
286.04416	1.3
311.05704	7.1
341.06415	1.2
371.20538	5.9
385.58490	0.8
431.09909	44.4
440.93365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80722	0.6
59.01385	100.0
60.01717	0.8
64.01887	0.6
71.01385	8.9
73.02956	0.9
77.81866	0.6
83.01356	1.1
85.02971	3.4
89.02440	6.7
92.10106	1.3
93.03432	1.5
99.00874	0.7
101.02448	4.6
107.01398	1.5
109.02925	0.8
110.05218	0.8
113.02455	4.4
117.03526	1.2
119.03522	1.7
132.02180	0.9
135.00916	2.7
135.04510	1.7
143.05034	1.0
151.00327	1.2
157.06630	0.8
159.04507	1.1
161.02510	1.6
161.04567	3.8
163.00447	2.1
169.06583	1.0
179.05592	3.3
183.04518	1.7
185.02478	1.0
185.06062	3.2
187.04033	4.1
197.06042	1.0
199.03957	0.9
209.11911	1.5
211.04045	3.7
213.05556	2.6
227.03531	53.4
227.07185	4.0
228.04137	0.8
229.05113	12.1
239.03508	2.7
241.04988	0.9
255.03011	78.4
256.03766	4.1
257.04581	6.9
269.04550	1.0
280.13754	0.8
281.04544	3.6
283.06125	7.5
284.03287	52.5
285.04074	82.5
311.05582	6.1
334.69934	0.8
341.06567	1.3
371.20743	5.2
374.62509	0.8
407.45462	0.8
419.70895	0.7
431.09869	45.5
432.10129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20465	0.6
55.80725	0.6
58.34232	0.6
59.01385	100.0
59.34932	0.6
59.97963	0.5
62.14162	0.6
70.45318	0.6
82.81911	0.6
88.70285	0.6
91.04041	1.5
99.75014	0.6
142.41888	0.7
152.99603	0.7
195.13985	1.3
277.21567	1.2
295.22845	12.9
323.91034	0.6
369.89169	0.8
427.90933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
59.19118	0.3
60.66114	0.3
61.98834	100.0
65.27119	0.3
66.08573	0.3
75.61686	0.3
86.08399	0.3
92.10078	0.5
96.94277	0.3
104.77602	0.4
130.17715	0.3
222.42570	0.4
269.78601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29444	0.4
55.31346	0.4
59.01383	2.3
60.99306	19.0
64.54933	0.5
69.61008	0.5
70.23447	0.4
71.76793	0.5
75.00865	0.6
88.98797	100.0
92.10126	0.6
96.95438	0.4
96.95998	2.6
128.85806	0.5
131.02454	0.5
133.02994	0.5
135.04529	4.5
153.01834	0.5
161.02415	1.1
163.03934	0.6
179.03477	4.3
195.05064	2.0
224.94154	4.0
268.93106	4.0
289.47968	0.6
341.08673	2.0
430.98203	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	431.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.6
60.99313	22.2
71.01388	3.2
72.99316	3.3
78.95921	3.3
88.98801	100.0
91.26196	2.4
96.96017	12.1
100.44120	2.6
109.06592	3.8
116.92836	5.0
123.04488	3.0
133.02939	4.7
133.91931	2.7
135.04492	4.2
153.01929	3.0
161.02452	32.4
176.40305	2.5
179.03372	2.6
195.05115	5.0
341.08795	13.2
392.58441	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	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13337	0.3
55.01876	0.4
57.03466	0.4
59.01384	100.0
71.01380	7.3
72.99334	0.5
73.02951	2.7
76.57246	0.4
81.72333	0.4
82.11967	0.4
83.01386	0.6
83.54443	0.4
85.02959	2.7
87.00877	0.7
89.02428	4.9
92.10149	0.9
96.96008	2.7
101.02433	4.8
105.79757	0.4
113.02423	3.1
119.03520	1.8
123.04516	0.8
135.04488	2.0
161.04582	0.7
165.01947	0.6
189.12846	2.9
225.04036	2.7
263.75653	0.4
338.85364	0.5
387.20245	2.0
409.08130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52153	0.2
55.01857	0.2
57.03444	0.6
58.00616	0.4
59.01385	100.0
59.71277	0.2
60.01746	0.2
68.86017	0.2
71.01383	10.0
72.99300	0.3
73.02951	3.0
80.13049	0.3
83.01394	0.5
85.02950	2.8
87.00861	0.4
89.02438	10.6
101.02433	4.9
113.02444	4.2
116.75654	0.3
119.03503	4.7
121.06657	0.3
131.03479	0.5
134.19182	0.4
137.09711	2.5
143.03549	0.5
149.04541	0.3
161.04543	1.4
169.33081	0.3
174.41708	0.4
179.05611	3.1
199.17770	0.3
199.99551	0.3
229.09195	0.3
267.12292	0.4
325.14563	0.4
369.19379	0.5
420.51987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35660	0.4
55.01898	0.4
57.03460	2.0
59.01392	100.0
62.51351	0.4
65.15552	0.4
65.71623	0.4
66.59512	0.4
71.00091	0.4
71.01395	12.2
72.99328	0.4
73.02960	4.2
75.00867	0.8
83.01411	1.8
85.02960	7.7
86.02856	0.4
89.02438	0.9
92.10852	0.4
95.01395	0.9
99.00900	1.0
99.28127	0.4
101.02451	7.3
105.01944	16.3
105.02647	0.5
113.02464	5.8
133.02950	5.7
135.04514	5.0
137.09532	0.4
152.62086	0.4
159.02939	0.6
161.02467	16.4
161.04546	9.9
163.11307	0.9
179.03534	2.0
179.10880	0.5
192.11618	0.8
207.10275	2.7
207.13847	2.9
207.15596	0.5
223.13452	1.9
226.02975	0.5
237.07420	0.5
267.05106	7.3
267.12381	2.4
429.21777	0.7
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	Unknow
Peak:m/z	Relative Intensity
51.69424	0.2
54.82104	0.2
56.52480	0.2
57.03450	1.1
59.01382	100.0
69.03471	0.3
71.01376	5.2
73.02938	3.0
83.01397	1.3
85.02962	2.3
85.40626	0.2
85.77418	0.2
89.02444	0.9
95.01398	0.4
101.02454	2.4
101.35529	0.2
105.01983	0.3
109.02976	0.5
113.02470	2.3
135.04445	0.3
137.09718	1.4
161.04547	1.1
173.09798	0.3
181.08788	0.3
189.12865	5.4
193.71082	0.2
203.05687	0.6
207.13974	2.6
225.14960	1.1
293.32593	0.3
338.40335	0.2
358.65494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67720	0.3
52.96375	0.4
59.01391	100.0
71.01389	3.5
73.02956	1.8
85.02945	0.9
89.02422	0.8
92.10080	0.7
94.72289	0.4
101.02454	1.1
106.34368	0.5
109.16459	0.4
113.02456	0.7
123.08190	1.8
136.26720	0.4
141.86391	0.5
143.46931	0.4
163.11287	0.9
189.12830	2.5
192.01398	0.4
207.13962	2.3
209.91965	0.4
231.80424	0.4
272.28638	0.5
411.09384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.75743	0.4
71.01382	8.2
73.02938	4.2
83.01394	2.1
85.02950	4.6
89.02451	5.5
90.42783	0.4
91.45990	0.4
95.01389	0.8
99.00899	0.8
101.02434	5.8
104.90240	0.5
108.02291	0.5
113.02439	5.2
115.24857	0.5
118.15517	0.5
119.03542	0.6
123.04487	0.5
135.04509	0.6
153.09184	0.6
161.04605	1.2
182.93028	0.5
195.13808	0.7
211.32919	0.5
225.14940	2.9
274.77286	0.5
305.57263	0.6
340.96890	0.4
369.19308	4.9
387.20340	6.1
387.31921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62100	0.4
51.28187	0.4
55.44845	0.5
57.42741	0.4
59.01383	26.9
66.13084	0.4
70.40936	0.4
71.01389	0.5
78.79527	0.4
81.03461	0.7
85.02987	0.9
87.00890	0.8
93.03460	0.8
95.00707	0.5
95.05055	0.8
107.04994	0.6
109.02964	12.7
109.06585	5.0
110.88619	0.5
115.24148	0.5
117.40016	0.5
119.05007	6.1
119.05752	0.7
121.02949	11.1
122.03735	2.5
124.97515	0.5
135.04532	9.2
136.89174	0.5
137.06082	40.3
142.58786	0.5
153.01945	4.0
181.05070	100.0
182.05452	0.8
293.07825	0.6
297.05981	2.0
385.06830	0.7
385.11334	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01141	0.1
58.03043	0.2
60.77776	0.1
80.33506	0.2
81.29095	0.2
92.10859	0.4
99.92590	4.9
100.92834	0.2
100.93356	12.2
115.92075	100.0
116.92097	0.7
116.92860	6.5
117.92495	0.3
132.92365	1.0
133.84853	0.2
151.04097	0.2
155.95201	0.2
172.95497	3.4
207.06750	0.3
221.08189	4.9
222.08980	1.4
235.09784	0.2
255.23285	1.4
355.15988	0.3
381.17264	0.4
411.18399	0.3
419.51797	0.2
429.19592	4.9
429.26498	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	429.2138
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01895	3.3
57.03459	1.4
58.70049	1.1
59.01391	100.0
60.99328	7.5
69.04973	1.3
71.01392	28.5
71.01783	1.6
73.02956	9.3
78.60349	1.3
79.13084	1.1
83.01424	8.8
85.02969	19.8
86.35407	1.3
87.00882	1.8
88.98814	33.2
89.02460	4.9
95.01413	3.3
99.00892	5.7
101.02443	23.2
102.83264	1.4
104.93179	1.2
108.81932	1.4
113.02453	15.5
119.05050	1.8
159.03104	1.3
161.04553	6.3
204.77887	1.3
225.15010	5.9
241.04845	1.8
303.15533	1.3
343.21265	25.2
378.42480	1.7
387.20154	2.9
429.21393	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.7
55.61935	0.6
55.77554	0.6
57.03461	3.7
59.01101	1.3
59.01380	13.0
61.96259	0.7
61.98802	0.6
62.91624	0.7
70.25275	0.7
71.01378	12.4
72.99328	0.8
73.02938	3.8
83.01393	3.1
84.02161	1.1
84.95144	4.8
85.02953	24.8
85.03455	0.9
87.00874	55.5
89.02451	0.8
95.01431	0.8
99.04562	1.1
101.02444	10.1
108.02135	1.0
108.19231	0.8
109.02959	50.7
111.00894	2.9
111.70097	0.7
113.02452	43.0
115.00383	13.8
116.19492	0.7
117.05589	1.9
124.01633	0.9
129.01952	13.1
133.02853	0.8
135.04517	1.2
135.29071	0.7
139.04048	0.9
146.28404	0.9
151.04080	1.7
152.01125	7.1
153.01949	100.0
161.02412	1.2
163.94266	0.8
167.03474	0.7
169.45482	0.8
175.02492	27.2
193.05042	2.6
195.03018	21.3
217.25961	0.8
225.04114	4.1
255.05122	16.0
297.06195	85.8
298.06561	1.1
385.07825	12.4
391.12610	3.3
429.10074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58217	0.6
57.03456	1.8
59.01391	5.0
59.78281	0.7
62.27245	0.8
71.01399	4.6
73.02944	1.0
85.02949	20.8
87.00875	41.8
101.02450	4.6
107.27428	0.8
108.02178	1.1
109.02956	58.0
111.00887	1.8
113.02456	36.2
120.52299	0.7
121.02942	3.5
125.02386	0.9
129.41418	0.8
131.35440	0.8
133.02983	1.2
134.03741	24.2
137.02469	3.7
139.03978	1.0
149.06129	7.8
152.01161	6.4
153.01947	100.0
174.12152	0.9
178.02725	16.0
193.05083	40.5
195.03015	16.8
204.75354	0.9
225.04039	4.3
255.05139	15.5
294.26038	0.9
297.06192	81.9
345.53848	0.9
385.07678	6.4
431.64288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24332	25.1
57.67445	21.3
59.01405	100.0
75.69726	20.8
80.51954	22.2
101.04185	23.1
125.85685	23.5
218.97119	24.3
249.40970	23.0
311.79471	23.3
414.27658	28.5
416.95419	26.0
421.43561	26.7
427.27161	39.3
443.11093	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37966	3.8
53.43913	3.4
54.82585	3.5
59.01394	49.3
64.03190	3.6
67.63534	4.0
72.99332	4.0
75.89954	4.1
77.06151	3.7
91.04024	21.0
100.90742	4.5
102.61337	4.3
116.48831	4.8
158.54970	4.2
181.68619	4.1
220.14760	9.1
221.15495	100.0
347.94162	4.7
382.13528	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	429.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01388	17.2
61.98840	2.5
71.01382	19.4
72.99293	1.1
73.02940	1.2
73.81690	0.6
75.00878	1.2
83.01379	1.0
83.05036	1.2
85.02956	6.3
87.00874	39.0
88.77272	0.6
89.02483	1.0
101.02448	3.1
109.02946	15.2
113.02440	8.2
115.00378	60.5
121.02916	0.8
127.00410	0.7
133.02953	0.7
134.03740	0.8
135.02974	1.3
135.04477	5.6
148.05235	0.6
149.06085	0.7
152.01129	3.6
153.01955	21.8
158.14529	0.6
160.05333	1.3
161.02426	1.2
161.06091	0.6
163.04021	0.9
175.02502	100.0
179.03470	1.2
193.05045	3.5
195.03008	11.3
204.04311	0.8
225.04045	1.4
233.04454	0.9
249.07690	1.4
255.05119	13.1
261.77841	0.7
267.08945	5.6
274.81793	0.6
280.73483	0.6
297.06155	12.9
323.07755	0.8
368.16501	0.9
369.16736	1.4
385.07687	1.4
399.24313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57257	1.0
52.71256	1.0
54.82794	1.0
59.01385	100.0
61.92431	1.0
61.98843	1.2
63.54074	1.0
91.02011	1.1
99.00859	1.7
99.92593	5.7
108.39019	1.1
116.92859	38.8
239.03993	1.2
274.65283	1.2
293.21307	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	427.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.6
59.43068	17.4
61.98855	100.0
63.38760	18.4
66.49728	19.8
74.38267	18.6
77.96029	19.0
82.94267	22.2
105.92275	20.6
242.97694	24.1
316.88803	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.0
57.03448	3.8
58.00613	0.4
59.01382	100.0
60.91854	0.5
64.30247	0.5
65.25565	0.4
66.61224	0.5
67.37448	0.4
69.03470	2.1
71.01376	17.1
73.02940	10.3
80.91646	0.5
83.01409	2.3
85.02949	6.1
87.00860	1.3
89.02441	4.1
89.35210	0.5
92.10132	1.1
95.01394	0.6
97.02954	0.6
99.00864	0.9
101.02436	7.7
101.72897	0.6
107.05033	1.3
109.02917	0.6
111.08167	1.1
113.02444	5.0
129.40599	0.5
135.04529	0.8
137.09703	0.7
139.07632	0.6
151.11346	0.8
153.12845	0.7
161.04575	1.9
161.09720	0.8
163.11287	15.0
165.09215	2.1
170.59114	0.5
171.08203	1.2
179.10806	5.7
181.12344	27.3
181.23871	0.5
187.11308	3.4
189.12849	4.1
190.09973	8.0
204.11565	0.9
205.12357	6.9
223.09827	2.9
223.13425	1.9
229.12367	0.8
247.13313	0.9
295.15353	0.6
327.34305	0.5
328.70663	0.6
349.16742	0.6
432.97421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
57.03457	4.1
59.01384	67.5
61.98830	0.9
69.03471	1.1
70.58183	0.6
71.01382	37.2
72.99311	1.8
73.02946	14.7
75.00887	1.3
77.01348	0.8
81.03456	0.8
82.95409	0.8
83.01396	11.6
83.25830	0.7
84.95126	1.7
85.02951	24.6
87.00878	3.5
88.98823	2.7
89.02442	14.7
94.48749	0.7
95.01397	1.6
96.96000	4.1
97.02975	2.8
99.00848	6.2
101.02438	42.6
109.02950	14.6
110.60636	0.8
111.00898	6.0
113.02467	18.0
118.51915	0.7
119.05042	7.4
125.02441	4.1
129.01935	4.3
131.03525	9.9
135.04553	3.0
138.37889	0.8
143.03513	1.0
149.04579	0.9
151.03885	0.8
152.01169	1.4
152.54475	0.7
153.01968	13.6
159.03023	1.5
161.04553	9.4
163.04015	7.1
167.03511	0.8
177.05591	1.3
195.03001	7.0
224.63014	0.8
233.06660	1.1
235.11893	40.0
255.05087	6.6
263.05545	1.1
295.04633	3.1
367.16153	100.0
368.16483	1.9
427.08640	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.2
57.03457	4.1
59.01384	67.5
61.98830	0.9
69.03471	1.1
70.58183	0.6
71.01382	37.2
72.99311	1.8
73.02946	14.7
75.00887	1.3
77.01348	0.8
81.03456	0.8
82.95409	0.8
83.01396	11.6
83.25830	0.7
84.95126	1.7
85.02951	24.6
87.00878	3.5
88.98823	2.7
89.02442	14.7
94.48749	0.7
95.01397	1.6
96.96000	4.1
97.02975	2.8
99.00848	6.2
101.02438	42.6
109.02950	14.6
110.60636	0.8
111.00898	6.0
113.02467	18.0
118.51915	0.7
119.05042	7.4
125.02441	4.1
129.01935	4.3
131.03525	9.9
135.04553	3.0
138.37889	0.8
143.03513	1.0
149.04579	0.9
151.03885	0.8
152.01169	1.4
152.54475	0.7
153.01968	13.6
159.03023	1.5
161.04553	9.4
163.04015	7.1
167.03511	0.8
177.05591	1.3
195.03001	7.0
224.63014	0.8
233.06660	1.1
235.11893	40.0
255.05087	6.6
263.05545	1.1
295.04633	3.1
367.16153	100.0
368.16483	1.9
427.08640	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	46.3
62.42126	0.8
63.87152	0.9
69.03446	3.5
71.01385	7.9
73.02949	9.3
83.01412	2.1
83.05045	5.4
85.02985	1.6
89.02479	1.1
101.02461	7.0
106.04250	2.4
107.05036	1.7
107.08659	2.1
111.31907	1.0
113.02483	1.4
119.05042	1.3
120.99686	1.1
133.02917	1.1
135.04533	9.3
135.11798	11.5
159.08192	2.3
161.02444	2.0
161.09717	17.1
175.11278	1.9
179.10780	100.0
187.07829	1.1
203.10846	2.4
205.08667	1.8
223.09775	23.7
249.00702	1.0
251.80847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03453	21.7
59.01382	27.4
59.01688	0.9
66.85150	0.8
71.01392	7.1
73.02943	76.6
73.92777	0.7
78.95911	5.2
85.02953	4.3
87.00885	1.0
89.02435	9.3
92.65023	0.8
96.96007	65.5
96.96979	4.4
97.03051	1.1
97.69021	0.9
99.00859	9.3
99.04510	24.4
101.02438	11.7
103.04055	1.1
113.02432	1.5
116.92823	5.9
117.01938	100.0
119.03522	2.0
122.03736	5.4
125.02448	3.3
129.05522	1.0
130.44138	0.9
143.03473	3.3
161.04573	14.7
179.05597	2.0
219.02646	0.9
255.05238	1.0
265.09393	11.0
283.10321	3.6
309.11935	4.0
427.14511	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91126	2.7
54.21409	2.7
56.07174	2.4
57.03468	5.8
59.01384	75.3
61.98834	5.3
64.34052	3.0
71.01386	27.9
73.02960	16.1
76.56746	2.8
81.55527	2.8
83.01405	3.6
85.02965	31.3
88.98812	3.4
89.02427	3.6
97.02951	4.7
101.02448	18.3
109.15411	3.4
113.02440	13.8
125.02489	4.1
125.06076	4.4
133.03044	3.8
134.03757	4.5
135.11821	15.4
143.03531	17.5
149.39406	3.2
159.08197	5.1
159.11897	3.0
161.04767	3.5
161.09715	21.9
163.03947	3.1
177.12805	4.2
179.10796	100.0
221.11766	6.0
223.09801	28.9
265.10822	6.7
275.38882	3.3
282.16843	3.1
372.40063	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68419	0.6
55.01883	3.0
57.03462	1.7
58.00600	0.9
59.01384	100.0
64.75760	0.7
69.03446	0.8
71.01379	43.5
72.99316	1.8
73.02940	9.2
75.00862	1.8
78.46602	0.6
78.95908	4.5
83.01385	6.9
85.02956	11.6
87.00871	10.1
89.02439	51.3
95.01397	3.5
96.96011	1.6
99.00874	0.9
101.02439	27.5
110.40848	0.8
113.02455	22.9
115.00394	7.6
119.03507	16.5
128.03502	0.9
129.01962	1.8
131.03506	3.3
133.01485	7.9
135.01898	0.9
135.02974	2.9
141.01945	1.0
143.03511	5.3
149.04536	1.3
149.23686	0.7
161.04549	7.0
179.05605	11.0
221.06754	0.9
291.06921	0.8
323.09808	11.2
341.10944	28.4
352.17712	0.8
382.90689	0.7
383.11996	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	427.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52835	2.7
56.81197	2.6
59.01386	100.0
59.85039	2.4
67.10674	2.8
68.82276	2.6
69.03510	4.5
71.01379	41.0
73.02940	73.4
73.03284	3.7
73.97927	3.5
75.00885	2.7
79.97217	2.9
83.01421	12.3
85.02975	4.1
88.79496	2.8
88.98840	7.1
97.02981	3.6
101.01903	3.6
101.02444	33.4
113.02463	4.6
114.14417	3.2
120.90121	2.9
125.02386	4.2
143.03522	3.7
143.10785	81.9
157.12424	24.1
167.10858	3.8
167.18021	3.2
185.11827	14.9
203.05573	3.7
204.12724	2.8
249.26451	3.3
281.42749	3.1
339.08942	3.0
385.95969	3.5
407.23566	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91134	1.8
57.03464	2.9
58.25923	2.0
59.01381	25.7
71.01386	4.7
81.03443	4.3
83.01397	3.6
85.02943	25.1
86.16130	2.2
89.02422	2.8
91.01881	2.1
92.10699	2.9
94.58823	2.4
99.04495	4.0
100.41854	1.9
101.02437	39.3
107.01406	3.7
108.02157	4.5
109.02964	51.9
111.00880	12.7
113.02454	3.4
123.00885	2.2
123.54588	2.3
124.01743	2.2
127.04010	2.9
129.01939	100.0
139.04211	2.6
151.00424	3.3
152.01157	22.8
153.01938	56.1
159.04492	3.1
177.04051	2.7
177.05647	4.8
193.07349	2.1
194.02249	8.9
195.02991	54.1
221.04494	3.0
242.19710	2.2
254.04315	4.1
255.05095	54.5
263.05719	4.6
291.07065	2.2
297.06149	4.7
323.07730	11.4
356.38245	2.1
383.09860	12.5
427.08969	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
62.92555	0.3
64.34251	0.3
76.43304	0.4
78.95906	11.3
79.95743	2.8
91.39630	0.4
96.96008	100.0
96.96928	17.8
98.95589	0.6
109.02959	1.6
116.92885	0.5
123.04518	0.9
152.01129	0.9
153.01945	1.8
167.03464	0.9
177.05106	0.4
195.02957	0.7
255.05075	0.7
288.92944	0.5
427.08679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06316	0.2
59.01379	0.5
61.56798	0.2
69.34167	0.2
71.01385	0.3
78.95905	6.7
79.95726	2.0
83.85532	0.2
84.95135	1.2
90.86001	0.2
96.80619	0.2
96.96009	100.0
96.96914	10.1
109.02963	2.5
119.04917	0.3
153.01959	2.9
181.63988	0.2
195.03014	0.4
255.05011	0.4
275.08121	0.4
275.11041	0.2
280.35205	0.2
287.46439	0.2
329.08868	1.0
365.55618	0.2
383.09741	0.3
427.08807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03448	1.8
59.01105	2.0
59.01376	19.3
63.17832	1.2
69.29072	1.1
71.01381	9.0
73.02964	1.5
74.78417	1.3
76.57846	1.6
79.29620	1.1
81.03461	6.2
83.01398	5.9
85.02949	31.1
89.02427	2.0
91.01907	1.4
92.10847	1.4
95.01434	1.7
99.00899	2.2
99.04485	1.6
101.02432	12.8
107.01391	5.9
107.37946	1.2
108.02198	8.3
109.02219	3.2
109.02959	80.2
111.00889	13.4
113.02448	4.9
120.59173	1.3
123.00904	5.9
124.01653	3.3
125.02419	5.1
127.04003	2.8
129.01953	21.3
136.36557	1.3
137.02420	1.6
146.74785	1.2
151.00391	14.5
151.04002	3.0
152.01160	29.2
153.01949	87.5
159.04489	4.9
165.02002	1.5
177.05583	10.4
194.02220	12.0
195.03001	78.6
224.03142	1.6
225.03960	3.2
254.04370	6.0
255.05125	100.0
263.05652	8.7
291.07361	2.0
297.06195	7.8
299.60367	1.4
323.07837	12.2
383.09961	10.9
427.08890	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	425.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25999	1.5
54.70414	1.6
59.01398	7.6
71.01382	40.0
71.19590	1.5
72.99314	11.0
87.00871	3.1
106.01266	1.7
112.98767	2.2
115.00372	17.0
122.90051	1.9
129.43365	1.7
133.01411	8.8
134.03717	10.2
135.04518	3.1
144.76610	2.4
149.00914	1.8
161.02432	4.1
178.02695	2.1
181.12344	3.7
195.13826	2.1
275.09360	2.5
291.19672	32.6
293.10303	3.4
309.20761	100.0
375.82181	2.1
407.20822	2.2
425.12381	8.2
430.86230	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	425.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18666	0.9
59.01387	100.0
65.83778	1.0
71.31516	1.0
100.36820	1.1
133.02968	1.3
134.03770	2.7
135.04483	1.6
137.98030	1.0
178.02634	2.5
291.19724	6.8
293.10446	1.6
308.52621	1.1
309.20724	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	425.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45346	0.8
59.01387	1.9
71.01383	27.8
72.99307	7.2
86.69762	0.8
87.00882	1.3
92.10773	1.2
96.35168	0.8
111.08172	1.7
115.00373	4.6
127.11279	1.6
133.01431	0.9
134.03745	2.2
153.12871	5.7
167.10770	1.6
178.02739	0.9
179.14456	1.4
181.12306	4.7
197.11800	2.1
207.13974	1.4
215.12930	1.4
247.20706	4.2
273.18674	3.1
279.26404	0.8
291.19720	26.7
293.10153	1.8
309.20773	100.0
310.21240	1.0
319.22855	1.1
407.20801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58309	2.5
59.01385	12.6
61.98824	30.7
70.71855	2.8
78.91869	6.0
80.91688	45.6
102.71703	2.9
134.03760	3.3
135.08138	4.5
179.10747	4.6
191.14325	4.1
201.96762	3.0
207.10052	14.8
266.20853	3.5
289.18140	15.4
305.37003	3.3
307.19141	12.0
311.16342	3.4
329.17383	64.0
361.77673	3.2
365.15048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	18.3
59.01383	54.0
61.65558	4.3
65.96237	3.8
68.45287	3.8
69.03481	7.2
70.01041	4.7
71.01410	7.4
71.28268	3.7
72.12036	3.7
72.44727	4.1
72.99314	22.7
78.97137	4.2
82.33456	3.7
85.02964	32.0
87.00858	41.4
88.30633	4.7
96.96036	5.9
97.02982	5.9
101.02457	6.0
103.00396	5.6
109.02960	64.2
113.02496	7.3
119.92039	4.5
125.80254	4.6
129.01926	39.0
134.03757	33.2
135.04515	10.4
136.01624	31.0
137.02394	6.8
141.01941	18.3
145.02937	6.2
149.00908	90.1
152.01175	6.5
153.01942	75.8
159.04521	18.7
161.02382	18.0
167.76448	4.6
173.06015	9.3
174.06854	19.3
175.03987	6.3
175.07587	7.8
177.05539	5.2
187.04034	17.5
187.07645	47.0
193.04985	4.6
195.02890	5.7
201.05615	4.5
202.06322	26.1
203.10825	39.2
205.05092	8.9
213.09195	9.9
215.07072	6.9
231.10295	60.3
249.11273	8.8
275.09305	100.0
293.10352	59.8
425.19330	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01381	9.5
59.01599	0.6
68.38894	0.7
70.05955	0.6
71.01408	2.9
72.99309	1.0
73.03003	0.7
73.87297	0.7
85.02964	1.1
87.00861	5.9
91.01956	0.7
92.10798	1.5
95.39902	0.8
97.06604	0.7
97.42530	0.7
101.02465	1.3
101.06103	4.2
109.02934	0.9
112.98810	1.4
117.03484	1.0
131.03476	1.1
133.02954	36.9
134.03751	26.4
135.04530	54.1
137.02458	6.7
139.04022	1.0
149.00941	4.9
150.03195	0.9
161.02449	100.0
162.03027	0.7
162.06598	0.9
177.01901	6.7
178.02730	23.7
179.03497	33.4
221.11885	7.6
224.02776	0.8
225.36319	1.0
249.11311	0.9
275.09250	10.1
293.10223	6.4
323.07733	29.0
425.14706	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	425.1459
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
51.31914	0.4
59.01381	8.6
62.46848	0.4
71.01399	3.0
72.99298	0.9
75.00897	0.6
85.02950	0.8
86.53062	0.6
87.00867	6.0
97.06628	0.7
101.02439	1.0
101.06075	8.5
103.00410	1.0
105.03452	1.1
107.05010	0.6
109.02981	0.9
112.98798	3.9
113.02412	0.7
121.02944	1.0
128.70375	0.5
131.03522	0.8
132.02153	0.7
133.02956	39.6
134.03749	24.4
135.04526	51.1
137.02463	6.3
139.04025	1.3
149.00920	6.7
161.02451	100.0
162.03214	0.5
167.65092	0.5
168.39003	0.6
177.01939	5.9
178.02737	20.2
179.03514	32.7
231.10258	2.3
245.69652	0.6
257.64560	0.6
259.90433	0.5
275.09253	6.1
293.10336	4.7
323.07785	27.7
353.83496	0.6
425.14685	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	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01385	4.7
65.94791	0.3
71.01385	2.2
71.05008	0.4
72.99283	0.5
73.02959	1.6
73.49286	0.3
74.86368	0.3
83.01427	0.5
83.05030	0.5
85.02977	0.9
87.00889	0.7
89.02454	0.4
89.03973	0.3
92.10796	1.3
101.02438	1.4
101.06073	0.8
103.00407	0.4
105.03445	0.5
109.02966	2.2
113.02473	0.5
117.03463	0.7
123.04531	0.6
125.02432	3.2
132.02161	1.6
133.02953	41.5
134.03720	1.8
135.04527	9.9
136.01646	0.5
137.02458	2.0
145.02965	1.5
149.00919	4.3
151.04022	1.6
153.02007	0.5
159.04584	0.6
161.02446	100.0
162.02808	0.7
174.06830	1.4
179.03490	2.5
187.07655	0.5
203.10823	3.0
213.09175	0.5
231.10280	2.2
249.11453	0.7
275.09314	3.8
293.10178	2.6
304.45569	0.4
425.14642	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37255	2.3
53.59375	3.2
59.01384	87.1
59.01654	4.4
59.20637	2.8
61.87059	3.2
66.81936	2.6
69.12212	2.9
71.01385	40.4
71.82030	3.4
73.02943	62.5
76.57420	2.7
83.01405	6.1
87.00886	5.9
92.65759	3.2
101.02457	20.9
102.51994	3.2
103.51627	3.0
113.02417	4.9
125.02458	4.9
127.11254	3.1
133.02972	4.6
134.03720	31.1
135.04535	12.5
137.02464	3.2
141.09232	100.0
149.00917	3.3
155.10799	27.1
169.15985	3.2
173.50345	3.3
177.01909	4.8
178.02718	5.8
183.10229	15.7
203.05664	3.4
231.10330	5.7
275.09210	7.3
293.10306	15.9
294.10681	3.5
400.74646	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	425.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.75178	0.4
57.03458	4.5
57.40595	0.5
59.01398	3.5
71.01403	3.2
72.99304	0.6
73.02943	68.0
75.00866	0.8
78.76874	0.5
78.95918	3.2
85.02944	1.3
87.00897	2.2
92.29176	0.5
92.81602	0.5
96.96009	11.0
98.95592	5.6
99.00877	9.0
101.02436	38.7
113.02451	2.4
115.00385	3.5
116.92850	5.7
117.01939	100.0
119.03541	0.7
129.01964	1.0
133.01454	2.8
133.05078	2.4
144.29884	0.5
155.03603	0.6
360.71268	0.5
424.02701	0.6
443.38525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3273
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
61.86274	0.3
90.61800	0.4
107.00358	0.4
113.49078	0.4
176.81493	0.5
185.02246	0.4
189.12825	0.5
205.15994	100.0
248.58662	0.4
388.49570	0.5
423.32779	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19624	0.8
55.01885	26.3
55.43372	1.0
57.03466	1.2
59.01380	9.7
68.99832	2.0
69.03468	1.9
71.01387	6.1
72.99321	5.1
73.02966	6.8
76.57399	1.4
81.03477	1.4
83.01383	1.2
85.02947	17.5
85.03380	1.1
87.00876	10.9
87.11005	1.0
92.10130	1.2
95.01373	1.7
99.00877	4.9
101.02464	6.5
108.02180	2.3
109.02950	100.0
111.00908	5.8
113.02431	7.6
115.00378	11.0
123.00900	1.4
123.97408	1.2
123.98338	1.1
129.01945	33.5
133.02972	4.1
136.01738	1.2
139.00371	1.7
141.01970	1.9
149.00928	2.1
151.00406	1.4
152.01184	4.6
153.01939	100.0
157.01474	2.6
158.03746	2.2
159.03036	16.3
159.04361	2.4
161.02396	1.3
175.02515	18.5
177.01930	31.5
187.07632	9.6
193.97639	1.1
195.03049	14.1
202.06418	1.9
225.04121	1.9
227.85005	1.3
231.10306	5.8
275.09235	19.3
293.10318	8.4
295.04608	58.2
295.07974	2.0
299.49728	1.8
311.04068	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	425.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62852	0.3
59.01372	0.7
71.01388	23.2
72.99318	4.8
74.25517	0.4
83.95055	0.4
87.00877	1.8
89.02445	4.1
93.97339	0.4
115.00373	66.1
133.01431	100.0
134.01775	0.5
196.02882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03444	0.7
58.00592	0.6
59.01383	100.0
62.43615	0.4
71.01380	20.6
71.02787	0.4
72.99298	0.6
73.02934	4.1
75.00855	0.5
82.19041	0.4
82.19609	0.4
83.01385	2.1
84.95130	2.8
85.02941	6.3
86.41807	0.5
87.00915	0.7
87.19974	0.4
89.02438	13.6
95.01391	2.3
96.96002	2.1
99.00875	0.5
101.02435	13.8
113.02448	8.7
119.03483	3.8
126.24348	0.5
136.44659	0.5
136.87396	0.5
143.03456	0.7
149.00906	0.5
149.04636	0.5
155.10776	0.8
159.03018	0.9
161.04558	10.4
175.07567	0.7
179.05600	1.0
201.11284	0.8
201.15021	4.1
206.07138	0.5
208.54210	0.5
363.20319	42.3
391.95200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.29565	1.9
59.01395	3.3
60.84655	1.5
76.57410	1.9
78.95905	18.7
107.29309	1.8
110.98541	12.5
123.05405	1.8
135.02812	1.9
143.22179	1.8
144.61948	1.9
152.99750	2.2
158.90585	1.7
167.01192	8.3
170.74899	2.2
189.57785	2.0
190.66133	1.8
205.33868	1.8
255.23328	100.0
261.42096	1.9
266.95908	1.8
335.28076	1.9
344.93762	2.1
396.05292	1.9
423.25232	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	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13165	0.9
59.01392	11.9
60.31662	0.9
71.01402	5.7
73.02967	1.8
75.00893	1.4
77.57069	1.0
78.95930	6.4
79.95755	1.3
85.02961	1.9
87.00885	1.8
88.98816	2.5
96.09577	1.0
96.96015	100.0
96.96918	7.7
101.02474	1.9
103.39566	0.9
109.02991	1.5
113.02513	2.1
115.59885	1.0
117.03440	7.6
119.05046	1.8
135.04565	1.5
137.02478	0.9
145.02971	22.7
149.00943	1.5
150.03328	1.1
159.04507	1.8
163.04005	2.2
174.05634	1.9
175.07620	1.4
187.03972	2.4
189.05649	1.3
197.52429	1.1
218.72279	1.1
219.06587	1.1
275.09219	2.3
325.09442	1.6
423.18076	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	423.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12932	0.2
51.24813	0.2
59.01393	1.5
59.59254	0.2
62.60495	0.1
63.28319	0.2
66.46699	0.2
71.01383	1.5
73.35671	0.2
76.61311	0.2
78.95914	14.1
79.95744	2.0
83.22592	0.2
96.96017	100.0
96.96939	21.3
114.93406	0.2
121.02958	0.2
153.93344	0.2
197.11743	0.4
209.11800	0.7
289.18121	0.2
307.19073	1.3
325.20184	1.3
326.07193	0.3
345.14728	0.3
354.10132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28725	0.3
51.68892	0.3
52.85461	0.3
53.00316	0.3
55.01876	0.7
57.03456	1.0
59.01386	100.0
61.98824	0.6
69.03465	0.7
70.46661	0.4
71.01386	95.4
73.02936	5.0
74.85881	0.3
83.01403	4.7
84.29958	0.4
85.02953	4.1
87.04514	4.2
89.02435	2.6
89.06097	5.1
95.01370	0.8
97.02918	0.9
99.00868	0.8
101.02432	3.1
103.88896	0.4
112.01624	0.4
113.02441	5.6
121.02173	0.6
121.02950	13.7
137.90967	0.4
143.03499	0.6
147.23381	0.5
161.02364	0.9
165.01886	0.6
219.06468	0.6
233.10287	7.1
235.72964	0.4
237.07721	3.0
291.08456	2.1
308.81924	0.4
381.11951	15.4
381.16516	0.6
423.12973	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	423.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	33.8
58.61657	0.2
59.01387	2.6
68.99830	0.3
71.58141	0.2
75.00885	0.4
80.33024	0.2
80.48957	0.2
85.02962	0.4
87.00883	0.4
91.05563	0.3
92.10077	0.5
105.07137	0.4
117.03488	1.1
117.07095	0.5
119.05058	0.6
133.02982	1.3
133.06664	1.8
134.03732	2.9
135.04536	2.3
137.02510	0.3
143.05008	0.4
145.02966	2.2
146.03740	2.1
147.03011	0.6
149.44128	0.3
159.04526	3.7
161.06094	100.0
162.03242	0.5
162.06512	0.6
176.31403	0.2
177.01958	0.3
178.02719	0.6
179.03485	0.4
189.96939	0.2
219.10292	70.0
220.10635	1.2
275.09320	1.8
376.93076	0.3
423.16748	1.7
431.37817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.5
71.01392	5.3
73.02959	1.8
75.00874	2.4
81.06018	0.4
83.01369	0.6
85.02964	2.7
87.00860	0.7
89.02462	2.5
91.49915	0.5
93.03491	0.6
97.02936	1.0
101.02426	0.7
102.18391	0.4
104.17963	0.5
109.02940	0.5
110.27299	0.5
113.02440	3.7
115.00407	0.6
117.03462	34.2
117.73195	0.5
119.05021	19.9
121.64598	0.4
122.79932	0.4
127.09492	0.5
132.05814	0.5
133.01414	0.9
133.02971	2.9
133.06590	1.9
134.03804	0.7
135.04604	0.7
145.02957	100.0
147.03004	0.5
158.03792	0.5
159.04517	4.2
161.02426	6.4
161.06075	3.4
163.04004	16.4
165.04018	3.2
173.05981	0.7
187.04004	16.6
187.07628	3.1
202.06575	0.5
205.05136	4.9
217.05037	1.0
231.10223	2.4
235.05959	0.7
242.98239	0.4
265.07230	2.2
275.09293	5.5
293.10406	0.6
307.08313	1.0
325.09332	4.4
399.62228	0.5
423.13004	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	423.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48331	0.2
57.03442	0.3
58.18578	0.2
59.01384	9.1
69.03461	0.4
71.01369	3.9
72.99304	0.3
73.02961	0.2
73.54077	0.3
75.00860	0.4
83.01392	0.3
85.02954	1.5
85.15238	0.2
85.16723	0.3
89.02431	2.4
93.03458	0.3
95.01389	0.3
97.02958	1.2
101.01779	0.2
101.02433	1.9
113.02451	2.6
117.03466	36.5
119.03635	0.5
119.05021	17.1
127.54063	0.2
128.53252	0.3
131.05031	0.3
132.05836	0.5
133.06587	2.1
135.04492	1.1
145.02959	100.0
146.03296	0.5
158.03738	0.4
159.04517	3.4
161.02470	0.4
161.06081	5.0
163.04007	14.1
165.04106	1.1
173.06111	1.6
177.05566	1.2
187.04010	16.9
187.07561	1.0
191.07196	0.4
205.05099	4.8
217.05096	1.6
217.08670	0.6
231.10300	0.4
235.06216	2.2
265.07248	2.7
275.09302	1.4
286.37793	0.3
307.08191	1.4
325.09305	4.5
423.12747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41090	0.5
53.73479	0.5
55.01875	1.1
59.01383	100.0
61.76701	0.5
69.03463	1.0
71.01379	87.3
73.02933	4.3
81.03447	0.9
83.01362	6.2
85.02945	5.9
87.04528	3.8
89.02449	2.5
89.06078	4.8
92.10192	1.4
95.01405	2.5
99.00871	0.8
101.02455	3.2
112.01697	0.8
113.02434	4.7
121.02957	14.3
125.02441	1.0
134.03728	2.7
135.04535	2.4
143.96399	0.6
145.02916	0.9
161.02422	3.3
165.01910	0.9
203.03635	0.6
233.10316	8.6
237.07637	2.3
275.09189	1.1
287.01944	1.2
291.08704	0.8
323.07700	1.0
381.11972	12.9
407.37369	0.7
423.12741	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	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01381	9.8
69.03455	0.4
71.01374	4.3
75.00867	1.9
81.03448	0.9
85.02948	2.6
87.00874	0.8
89.02435	2.0
92.10773	0.5
97.02919	1.1
97.04702	0.5
99.04488	0.5
101.02446	2.0
109.56129	0.5
113.02422	3.8
117.03458	33.2
118.05825	0.4
119.05016	16.5
121.02982	0.6
133.02948	11.4
133.06610	1.8
135.04524	3.2
145.02956	100.0
146.03302	0.8
154.72769	0.4
159.04546	3.3
161.02443	35.4
161.06059	4.0
163.04021	13.3
165.04044	4.1
172.05289	0.5
173.05969	0.6
177.05511	1.8
177.09291	0.8
179.03423	0.7
187.04015	16.6
187.07704	0.9
190.57945	0.5
205.05083	4.2
217.05136	0.9
231.10249	0.6
235.06137	0.8
264.20880	0.4
265.07236	3.0
275.09369	0.8
296.71729	0.4
307.08459	0.7
325.09259	5.0
423.12946	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	423.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40802	0.1
52.38652	0.1
54.33121	0.1
55.11044	0.1
57.03450	0.2
59.01382	8.3
71.01373	1.2
71.39967	0.2
73.02960	0.3
78.95901	9.0
79.95741	1.7
83.01390	0.2
84.95091	0.3
85.02954	0.9
87.00893	0.8
87.04507	2.8
89.02429	0.8
96.96008	100.0
96.96921	14.0
97.93127	0.2
101.00581	0.2
101.02435	0.9
113.02464	0.7
113.82307	0.2
119.03521	0.4
119.05029	1.4
134.03720	0.2
135.04530	0.2
137.02444	0.2
139.11342	0.3
146.03712	0.2
149.00917	1.1
163.03990	0.3
166.43393	0.2
175.07637	0.4
179.03448	0.2
200.99554	0.9
201.01579	0.3
201.11325	2.8
291.08820	0.2
353.43774	0.2
363.16498	1.2
419.41946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
78.95912	3.5
86.45079	2.8
96.96027	15.5
96.96995	3.0
98.95609	18.3
99.92594	87.0
115.92067	68.7
116.92859	100.0
116.93690	3.5
124.71043	3.1
145.02975	3.6
192.95964	4.4
371.05215	3.2
387.09222	22.6
401.07336	4.2
405.10211	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	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.6
66.55098	0.5
71.01384	4.0
72.99321	0.9
73.02972	0.4
75.00886	1.8
78.54034	0.4
85.02973	2.6
87.00922	0.4
89.02458	1.8
97.02976	0.6
101.02447	0.7
109.02974	0.8
113.02457	3.1
116.94939	0.5
117.03468	36.2
119.05027	15.3
121.02949	0.6
129.02003	0.4
132.42256	0.4
133.02953	0.8
133.06599	1.9
135.04504	3.8
145.02963	100.0
149.02467	0.5
154.97707	0.5
159.04529	2.7
161.02466	4.0
161.06099	3.9
163.03999	13.1
165.04034	3.6
173.06032	0.5
175.07578	0.8
177.05595	0.5
177.09206	1.0
187.04018	17.7
187.07663	0.9
194.90775	0.4
194.92645	0.5
205.05096	3.5
205.08667	0.7
217.05156	1.0
217.08704	3.5
231.10257	1.0
235.05988	1.6
238.60745	0.5
249.11389	2.0
265.07181	2.4
275.09357	0.6
325.09143	3.9
398.30322	0.6
423.13062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35574	0.3
55.82960	0.3
58.87079	0.3
61.98832	100.0
72.13599	0.4
76.78643	0.3
82.77626	0.4
111.05089	0.4
140.63451	0.4
179.62108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43530	0.4
57.09492	0.4
59.01382	4.7
71.01385	1.0
75.00866	0.5
78.95905	7.3
79.63744	0.5
79.95735	2.3
80.91689	0.7
81.39354	0.4
82.95398	0.7
85.02934	0.5
89.02394	0.6
96.96009	100.0
96.96912	8.7
101.02431	0.5
107.46505	0.4
109.97624	0.5
113.02383	0.5
119.05016	4.1
121.02917	0.7
133.02950	0.9
134.03755	0.7
135.04527	9.4
137.02414	1.0
139.04016	1.8
149.00981	0.5
161.02444	4.6
163.04018	1.9
179.03537	7.1
185.02223	0.5
201.93768	0.4
203.03391	0.7
341.08710	2.3
363.06985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53341	61.2
128.15277	90.0
137.21268	79.6
146.09315	81.7
152.02148	81.8
165.49434	84.8
209.10612	73.9
238.06569	84.4
258.86264	72.4
280.16876	73.4
341.21863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78458	0.7
57.80767	0.8
61.88780	0.8
61.98834	100.0
68.19018	0.8
73.19894	0.9
75.23407	0.8
83.57981	0.8
89.77147	1.0
116.80910	0.9
123.32599	0.9
159.39551	1.0
372.59952	1.2
445.57605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92735	0.4
52.17596	0.5
55.01892	3.2
57.03466	1.1
58.00594	0.5
59.01385	22.1
61.98836	0.9
69.03452	0.5
71.01378	11.1
71.80298	0.4
72.99306	1.0
73.02944	4.5
75.27081	0.5
82.65862	0.4
83.01369	4.2
84.12577	0.5
85.02940	6.8
87.00879	2.1
89.02458	1.2
93.03502	0.5
95.01389	1.2
95.13815	0.4
97.02937	0.7
99.00895	1.1
99.08170	0.9
101.02451	7.6
111.00872	1.1
113.02482	3.5
113.09752	0.9
114.38696	0.5
119.03442	0.5
119.05045	1.9
125.02424	1.0
134.03714	0.6
145.02969	3.7
175.07643	0.5
199.90697	0.8
213.18666	0.9
241.18071	2.5
259.19165	31.8
287.51965	0.5
403.23447	5.1
421.24506	100.0
422.25000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41174	2.5
57.71218	2.9
59.01395	13.2
95.05035	5.1
113.06091	47.9
123.04561	4.7
125.09745	4.1
135.08185	5.0
137.09755	3.7
153.09233	5.8
163.11278	7.3
166.53235	2.8
171.10228	10.2
185.11852	13.0
191.14459	13.1
209.11790	23.8
225.11415	5.7
245.19112	27.6
289.18127	100.0
307.19241	95.7
315.86368	2.8
325.20297	32.4
403.24893	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03629	0.2
59.27412	0.2
80.91673	2.1
85.31364	0.2
95.36035	0.3
113.82416	0.3
142.46425	0.3
163.11293	100.0
164.11569	0.6
324.03632	0.4
339.23346	49.4
340.23645	0.5
393.03589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88385	0.4
55.01885	2.7
56.39670	0.4
57.03452	1.1
59.01384	22.3
61.98838	1.0
71.01383	11.4
72.99303	0.9
73.02949	4.0
77.03462	0.5
78.09009	0.5
83.01390	3.6
85.02958	5.5
86.00153	0.5
87.00880	2.0
89.02460	1.7
89.61327	0.5
92.10793	1.1
95.01396	1.0
97.02936	0.7
99.00896	0.9
99.08170	0.8
101.02442	7.7
111.00849	0.8
113.02465	4.8
113.09791	0.6
119.03527	0.6
119.05046	0.8
125.02470	0.8
135.04512	0.7
145.02950	3.0
161.02362	0.8
179.03357	0.5
199.90749	0.6
213.18726	0.8
241.18060	2.2
259.19153	35.5
267.12766	0.6
403.23520	4.1
421.24484	100.0
422.24805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1638
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01388	49.1
71.01378	6.8
85.02953	11.9
88.25247	6.4
92.10825	14.1
92.65395	8.1
96.96013	14.5
106.94125	7.7
111.04609	7.3
145.02940	9.2
178.91994	7.4
221.86717	8.0
223.13387	7.8
229.15152	8.3
377.18234	33.3
421.16443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1873
Annotation	hbas#3
Peak:m/z	Relative Intensity
54.82133	0.3
55.37045	0.2
59.01385	2.5
64.58415	0.2
66.08383	0.2
70.21898	0.2
72.76950	0.3
81.03451	0.3
83.21159	0.2
93.03431	0.2
96.95971	0.3
104.63485	0.2
108.02192	0.4
109.02971	1.8
135.04512	0.2
136.01669	1.8
136.02602	0.2
137.02441	100.0
187.03905	0.3
196.05273	0.3
205.12288	0.5
217.06642	4.4
249.11079	0.3
279.12573	0.4
395.40149	0.3
403.17563	5.3
421.18750	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	421.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20123	6.2
59.01388	15.5
61.30641	6.4
61.98832	11.3
64.73868	7.1
81.53344	5.7
84.87222	5.9
92.65516	6.9
94.44591	6.1
96.96004	100.0
96.96952	14.9
116.90813	6.6
174.61273	6.7
203.16769	6.1
215.79811	6.4
408.43771	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	421.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38238	44.6
53.11908	42.7
56.66864	47.6
59.01373	64.3
61.98819	100.0
63.37700	50.0
85.24843	47.2
117.93286	47.7
168.55678	57.1
209.93610	58.0
230.35217	66.9
234.14011	55.4
300.37604	56.7
304.04321	55.4
421.15552	68.2
441.17987	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	421.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03452	0.3
59.01385	4.9
61.21475	0.2
71.01383	1.4
73.02943	3.1
83.01411	0.9
85.02983	1.0
87.00904	0.3
89.02405	0.1
89.03996	0.2
90.20298	0.1
92.10180	0.3
99.00917	0.2
101.02448	2.1
105.03501	0.3
107.14635	0.2
110.41029	0.1
113.02455	0.3
117.03488	0.9
123.04580	0.2
127.11265	0.2
130.30006	0.2
132.02176	2.4
133.02957	39.1
134.03604	0.3
135.04526	8.7
140.89075	0.2
145.02914	0.2
161.02454	100.0
162.02708	0.5
163.04056	0.2
173.11826	1.5
177.01810	0.2
179.03523	0.3
259.08267	1.0
377.14673	0.2
421.11472	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03454	3.0
57.87728	0.3
59.01374	2.9
71.01379	3.4
78.17738	0.3
82.05068	0.4
83.01383	0.6
85.02947	17.1
85.03461	0.7
113.02448	41.0
117.03463	37.7
119.05016	12.7
121.02985	0.5
125.02406	0.4
133.02951	1.6
135.04478	0.7
145.02957	100.0
146.03296	0.5
149.02457	0.5
150.03159	0.5
161.02428	5.0
161.06021	0.5
163.03999	10.9
187.04016	4.9
215.03616	0.4
229.59238	0.5
259.02505	1.6
307.08307	1.8
345.50363	0.4
421.11377	2.0
440.63242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05466	0.6
54.64269	0.7
55.01907	0.9
59.01387	34.1
64.23346	0.7
64.33874	0.7
71.01377	6.6
73.02943	1.6
83.01373	1.2
85.02969	5.2
101.02453	3.4
109.49851	0.7
113.02457	4.4
117.03459	2.8
132.02251	1.0
133.02959	45.2
134.03767	1.1
135.04532	9.4
145.02983	3.9
160.07765	0.9
161.02452	100.0
179.03468	1.1
179.10808	10.1
199.21761	0.8
212.94946	0.8
223.09808	4.4
285.50253	0.8
314.92557	0.8
319.17697	3.5
345.81119	0.9
361.18463	1.2
385.15253	1.0
386.54233	0.8
421.11481	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09370	1.1
59.01390	9.4
60.75987	1.1
61.43919	1.0
70.78339	1.2
74.52481	1.3
93.03441	21.5
94.98106	1.5
96.96009	1.3
119.05022	71.9
128.44249	1.2
137.02440	82.5
163.04062	1.6
169.02950	7.7
185.02419	15.1
187.03992	7.6
187.39833	1.2
197.02448	10.8
213.01947	24.0
225.01990	14.7
229.01373	1.5
241.01477	14.9
243.03047	2.3
251.03532	1.5
269.00943	100.0
283.02332	2.5
295.02585	15.3
301.03464	7.7
304.07501	1.6
389.06711	86.1
390.06763	1.4
403.17477	1.7
421.09705	1.6
421.19406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15353	1.5
55.01892	3.9
57.03436	2.0
59.01380	28.5
68.99577	7.9
71.01378	7.6
75.95547	1.5
78.95905	21.0
81.03461	3.9
83.05042	3.6
85.02947	24.0
89.02457	3.5
92.10161	2.1
96.96010	100.0
96.96948	36.4
99.00888	3.6
99.04527	4.0
101.02440	37.5
105.41196	1.7
111.00857	14.2
112.98579	11.0
113.02453	2.9
114.37926	2.5
114.88326	1.6
127.03986	8.8
129.01947	34.6
131.86809	1.7
134.39175	2.0
139.03996	2.0
144.42068	1.6
145.01454	29.2
160.13605	1.7
254.74786	2.4
291.07233	21.6
307.56747	1.8
322.75888	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	419.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32415	11.5
59.01383	100.0
61.98855	12.8
106.23226	10.3
111.04704	10.9
117.20895	10.9
156.19020	11.8
220.04665	12.8
254.05504	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2291
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
59.01390	100.0
62.51991	1.3
71.01391	36.3
71.01717	1.7
72.99323	1.8
78.76687	1.4
83.01418	3.6
85.02956	11.6
89.02443	32.8
95.01405	3.8
101.02451	23.7
113.02435	13.7
119.02773	1.5
119.03502	15.7
119.05010	3.1
136.76027	1.6
139.30565	1.5
163.14973	2.1
192.93285	1.6
223.99937	1.5
239.16507	9.0
248.44209	1.9
336.13776	1.7
419.22949	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04313	0.9
51.71067	0.9
52.12898	0.9
53.38927	0.8
58.22277	1.0
59.01385	100.0
60.22974	0.9
61.98837	12.1
68.50187	1.2
91.64966	1.1
93.47335	1.2
110.31713	1.3
121.13109	1.0
127.53796	1.1
153.81931	1.0
162.64572	1.2
239.23756	2.0
285.24344	8.9
310.94574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01397	1.2
59.13432	0.3
71.01381	0.5
73.02943	0.5
78.95902	8.1
79.95748	2.2
85.02947	0.4
96.62518	0.3
96.96008	100.0
96.96915	10.8
101.02489	0.4
117.01956	0.7
213.00778	0.6
221.60316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.8
61.98833	100.0
64.50890	0.7
65.29021	0.8
72.31888	0.8
76.67049	0.8
87.15728	0.9
93.19508	0.8
249.11490	0.8
271.71194	1.0
401.27808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19393	0.8
54.59649	0.9
55.01899	1.1
56.22029	0.7
56.99846	0.7
57.03461	21.0
57.03717	1.3
59.01384	11.8
60.98766	0.8
66.58275	0.7
67.01888	1.2
70.50133	0.7
71.01391	8.7
72.99326	3.5
75.00885	3.3
75.85114	0.8
78.95921	1.3
79.58179	0.7
81.63784	0.8
83.01389	5.9
85.02948	6.7
87.00877	100.0
89.02447	3.6
96.96022	5.6
96.96976	3.1
99.00889	4.1
101.02435	6.2
103.00969	0.8
111.00890	5.6
112.71632	0.9
115.00471	0.8
117.01960	1.1
118.56194	0.8
119.03514	1.0
129.01942	20.9
147.03021	20.7
161.97330	0.9
191.01996	42.2
191.05617	1.1
209.03069	15.5
269.76962	1.0
325.95322	1.0
357.98773	0.9
378.15277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11054	1.5
55.09087	1.6
55.58165	1.4
59.01389	12.0
60.99323	2.9
61.98835	100.0
68.99844	1.5
80.05051	2.9
88.98817	17.1
92.10767	2.1
96.96014	9.9
101.32848	1.6
102.51952	1.6
122.06130	3.5
132.04541	14.9
132.45781	1.9
135.04533	2.2
150.05641	24.4
164.59164	1.6
185.37404	1.8
194.04620	41.8
208.06149	6.9
236.05649	8.0
296.07571	2.3
308.55716	1.7
356.09918	26.9
396.29211	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	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82668	0.4
57.63906	0.4
58.94159	0.4
59.01384	100.0
59.42019	0.4
66.99102	0.4
75.19448	0.4
76.18871	0.4
84.91579	0.4
102.26624	0.4
102.96533	0.4
184.07158	0.4
220.02550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25116	0.8
54.82692	1.0
58.07407	0.8
59.01384	100.0
62.93651	1.0
63.77908	0.9
89.26025	0.9
94.55466	1.0
95.42713	1.0
112.80262	1.0
123.94032	1.0
141.84534	0.9
142.19380	1.0
153.12122	1.0
165.07260	1.5
188.35123	1.0
265.61581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2649
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
57.42437	0.2
62.42685	0.2
69.85579	0.2
77.46130	0.2
85.56886	0.3
117.03458	23.4
117.90061	0.2
119.05018	9.4
121.02962	1.9
121.03727	0.3
123.04461	0.3
133.02934	0.3
139.78679	0.2
145.02953	100.0
146.03304	0.5
159.43027	0.3
163.04010	5.0
204.96838	0.2
225.22250	0.5
244.71463	0.2
271.22839	10.5
290.74240	0.3
399.25253	1.3
417.26483	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	417.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28022	0.3
54.32584	0.3
59.01376	0.4
70.27470	0.4
117.03472	23.4
119.05039	8.5
121.02962	2.1
121.90081	0.4
128.24229	0.5
135.35811	0.6
145.02968	100.0
146.03308	0.5
163.04031	3.9
271.22821	10.2
276.53357	0.5
280.14630	0.5
295.40805	0.4
331.25885	0.5
399.25430	0.7
417.26523	19.4
418.26596	0.6
432.79507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73280	2.5
72.99297	2.8
73.46883	2.7
89.99892	2.9
92.10876	7.0
97.06578	10.8
112.31475	2.6
118.90025	4.1
125.06057	42.1
128.06679	2.9
143.07132	48.7
165.12796	22.0
177.29207	3.3
206.07359	3.2
247.20676	14.5
262.73242	2.9
267.53781	3.2
273.18701	6.5
291.19717	100.0
299.20303	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86166	0.9
55.01867	1.4
58.00611	0.9
59.01386	100.0
60.15879	0.9
62.08417	1.0
62.78019	0.9
66.55080	0.9
68.83098	0.9
70.67017	0.9
71.01385	22.7
71.01736	1.5
73.02953	5.2
83.01391	2.1
85.02976	9.1
89.02451	18.4
92.10175	1.1
95.01408	0.9
96.96087	1.2
101.02447	14.9
113.02457	10.1
113.67139	1.0
118.86864	1.0
119.03522	4.8
123.04516	1.5
143.03571	1.5
149.04541	1.3
154.90057	1.2
157.87790	1.0
161.04572	13.2
177.09186	5.8
179.05656	4.9
225.32431	1.1
357.15607	19.4
417.17752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	1.0
58.00603	1.8
59.01384	100.0
63.27058	1.0
64.34241	1.3
71.01383	41.1
72.99318	2.2
73.02945	1.3
73.38125	0.9
74.13633	0.9
78.91897	2.4
80.76285	1.0
81.72095	1.0
82.31343	1.0
83.01394	2.2
85.02952	9.2
87.00902	1.5
87.90018	1.1
89.02438	44.2
90.57172	1.1
92.10827	1.8
93.90827	1.1
94.23219	1.2
95.01394	5.1
96.96016	4.9
101.02433	26.1
109.02984	1.3
113.02457	13.9
116.92791	1.6
117.47715	1.3
119.03493	15.4
131.03526	1.3
134.39984	1.0
161.04553	1.7
179.05598	2.2
182.05847	1.2
194.09473	1.9
202.27361	1.2
213.88972	1.3
220.06168	1.4
222.09042	1.9
236.15709	1.1
237.11343	8.3
249.69728	1.0
371.26218	1.3
417.13040	1.4
417.17761	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	416.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82174	0.8
56.70521	0.7
59.01376	1.1
61.98832	100.0
72.27892	0.7
79.04541	0.8
126.00419	0.8
215.16537	0.9
273.77444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26599	0.5
55.15682	0.6
59.01385	60.3
62.85621	0.6
64.57227	0.6
67.85046	0.6
71.01402	1.1
71.10209	0.6
72.99319	1.5
73.47020	0.7
77.59153	0.6
85.02953	1.1
87.00872	1.0
89.10354	0.7
96.95999	4.0
113.02441	1.0
122.03731	3.0
123.04507	3.3
133.02925	1.0
135.04517	10.2
149.02463	1.0
150.03229	98.2
162.03265	1.0
165.05563	88.2
177.05537	1.5
179.03500	9.2
180.04291	19.5
195.06639	100.0
235.19644	0.8
237.07552	0.8
320.71606	0.7
371.13345	0.9
417.13992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26476	1.4
51.05807	1.3
55.01903	1.7
59.01386	100.0
61.11025	1.5
65.21666	1.5
71.01380	34.3
72.99312	2.1
73.02946	40.5
75.00873	18.8
80.47485	2.0
83.01402	9.8
85.02956	10.4
87.00906	3.7
88.04011	2.2
88.98823	2.2
89.02435	18.5
89.02927	1.9
95.01373	2.6
96.96025	16.5
98.02525	1.8
98.95615	2.8
99.00901	2.8
101.02435	28.4
103.00428	1.9
110.02509	2.0
113.02452	20.6
119.03503	1.9
121.02928	2.4
122.03772	2.5
126.90447	2.9
127.43112	1.6
129.01932	7.8
133.02956	3.1
134.03706	1.8
135.04509	14.7
143.03552	2.5
146.08284	2.9
149.04604	3.2
150.03232	37.7
153.05554	2.7
159.02989	4.1
161.02435	6.6
161.04530	8.4
162.03233	2.7
165.05568	28.1
169.01364	2.4
179.03505	6.8
189.01761	2.0
195.05118	47.1
195.06664	4.1
201.01714	3.4
217.80486	1.8
218.10344	1.9
219.10715	2.6
221.06599	2.3
276.77975	1.6
357.08231	2.6
370.99152	1.9
379.06522	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76931	0.2
55.01884	1.3
57.03448	0.5
59.01384	100.0
61.53638	0.3
65.97841	0.3
69.97834	0.2
71.01379	6.9
73.02948	3.1
83.01392	1.4
85.02958	4.9
87.18554	0.3
89.02466	0.6
95.01365	0.4
99.00850	0.6
101.02441	5.0
103.72124	0.3
113.02464	2.4
161.04550	2.2
189.29504	0.3
211.09598	0.3
225.88075	0.3
373.22366	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31627	0.3
54.78356	0.3
59.01383	100.0
64.31239	0.4
70.40561	0.3
78.05953	0.3
92.10828	0.9
129.84663	0.4
131.41859	0.4
133.92830	0.4
136.69971	0.4
335.06464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
64.67524	0.6
69.88435	0.8
74.63499	0.8
75.37111	0.7
99.33206	0.7
119.44376	0.7
128.82536	0.9
128.99870	0.9
131.80032	0.8
157.91508	0.8
285.77365	1.0
336.85852	1.1
426.82410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3222
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
56.87386	1.9
60.43495	1.8
70.01765	1.7
71.01397	14.6
95.00607	2.1
123.08160	3.4
158.16228	2.2
182.35219	1.9
305.51096	2.1
306.00287	2.2
327.26913	2.0
341.28665	8.3
343.30103	68.5
345.85132	2.1
357.27872	2.7
375.29285	17.4
415.32239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82281	0.2
59.01389	1.4
61.98833	11.5
62.43579	0.2
67.01949	0.2
69.14153	0.2
71.01379	0.5
85.02945	7.4
87.00849	1.9
89.76205	0.2
93.03456	2.2
96.96011	0.2
99.04494	0.4
109.02961	0.6
111.04527	0.6
118.77310	0.2
127.03992	1.4
133.02991	0.5
134.03734	0.3
135.04526	1.3
136.04807	0.3
157.96071	0.3
161.02461	2.1
165.29770	0.3
171.03085	0.3
173.04573	1.4
179.03471	1.0
185.45920	0.3
191.05626	100.0
192.06027	0.3
265.15469	0.3
272.88052	0.3
277.16870	0.2
299.50473	0.2
353.08847	7.7
374.14075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05824	0.4
53.67442	0.4
56.53206	0.4
57.03443	0.5
59.01380	21.9
63.86180	0.4
66.63683	0.5
67.01892	0.6
67.06246	0.4
71.01374	9.0
72.99299	0.6
73.02946	2.9
78.95895	0.8
81.03427	0.6
83.01395	2.0
85.02938	3.6
87.00904	0.9
89.02443	5.9
93.03464	0.6
95.01374	1.2
96.95985	0.6
99.00911	0.6
101.02434	5.8
108.02201	4.0
109.02947	36.5
111.00894	3.1
113.02464	2.6
115.78395	0.5
119.03497	0.9
121.02948	0.8
123.00870	2.2
123.04518	4.1
124.01653	2.2
125.02431	0.6
133.02965	0.8
134.03738	0.7
135.00951	0.8
135.04501	3.5
135.08151	0.7
139.04117	0.6
146.03738	3.4
149.02499	0.7
149.06071	1.1
151.04047	2.7
152.01146	25.8
152.02364	1.0
153.01938	50.7
161.02420	1.1
161.04568	2.2
163.03969	0.6
164.04778	2.7
165.01886	1.0
166.02504	0.5
167.03510	5.6
167.07121	0.9
179.03516	3.4
179.07220	2.3
195.02992	87.1
196.03369	0.6
209.04538	1.2
209.11774	1.0
225.04131	0.7
255.05116	100.0
256.05457	0.7
267.10873	1.0
315.07153	5.3
335.07809	0.7
371.09845	7.1
397.11343	1.0
415.03760	0.6
415.11670	0.7
415.16238	2.2
432.73431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31638	0.3
56.50793	0.3
59.01381	0.4
60.99307	18.1
74.23917	0.3
81.71004	0.3
88.98800	100.0
109.55077	0.3
192.05801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36781	0.5
61.93349	0.6
64.34241	0.6
74.99102	6.3
77.00665	64.0
91.05757	0.6
120.38644	0.6
147.08157	2.9
149.09718	2.2
161.09700	0.9
163.11331	2.6
187.11359	2.0
192.95399	0.6
218.94539	0.6
279.13773	1.2
280.14758	1.0
309.22391	1.4
337.21796	100.0
338.22025	2.3
415.23163	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	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15848	0.7
57.75016	0.6
59.01388	8.5
59.84469	0.7
60.99310	18.3
71.01387	5.4
73.02946	1.7
81.03442	1.0
85.02975	1.0
87.00868	3.0
88.98806	100.0
89.02460	1.8
95.01416	0.8
96.96021	2.8
101.02439	1.1
108.02187	3.6
108.04585	1.6
109.02946	11.4
113.02475	1.0
115.00383	4.1
119.05010	1.4
123.04531	1.7
125.02444	0.9
134.85927	0.8
135.04510	1.3
136.78455	0.8
152.01137	7.9
153.01932	16.3
161.02390	1.5
163.04047	1.3
167.03490	5.9
175.02513	5.6
184.71767	0.7
193.09875	4.3
195.03116	0.7
226.54861	0.8
235.05661	0.9
247.43610	0.9
253.07643	0.8
358.85623	0.8
415.12503	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	415.1041
Annotation	Eupalestin
Peak:m/z	Relative Intensity
59.01387	32.4
60.01720	2.8
63.02406	7.7
65.00336	7.7
68.54899	1.0
71.01405	2.6
80.02699	2.0
83.01411	6.6
84.64080	1.2
92.65273	1.1
93.03468	4.2
96.97978	1.1
107.01395	25.5
108.02187	17.3
119.05017	26.2
120.99615	1.8
123.00916	1.5
125.02400	1.8
136.01663	24.3
143.04974	1.0
145.02959	1.5
151.00378	55.2
162.24544	1.2
164.01167	37.2
165.01930	2.1
169.01433	1.9
177.01949	11.1
178.59413	1.1
187.03964	1.5
195.98537	1.5
196.00185	15.4
201.11429	1.4
252.15134	1.1
270.05270	2.1
271.06146	64.0
415.10382	100.0
416.10605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65551	0.4
53.21871	0.4
54.83005	0.6
57.03453	1.1
59.01389	8.5
64.90297	0.5
65.96931	0.5
69.03461	0.9
69.06379	0.5
70.76713	0.4
71.01370	1.1
73.02941	1.2
78.54600	0.5
81.03452	15.2
83.01386	10.1
85.02962	0.6
93.03466	2.3
95.01380	0.6
95.05026	19.8
95.96869	0.6
97.02922	4.0
99.04505	6.3
101.02442	1.0
101.32854	0.5
105.03504	0.5
107.01419	0.7
109.02956	3.0
109.06605	0.6
113.02448	0.7
119.05051	0.8
121.02960	3.0
122.03754	2.8
123.04520	20.4
125.02445	22.3
127.17484	0.5
135.04495	1.9
137.02443	3.0
137.06078	21.3
139.04050	3.4
141.05621	2.2
147.04614	0.6
151.04030	0.8
152.01111	0.8
153.01926	1.2
155.03506	0.8
161.02579	0.6
165.01868	0.6
165.05579	5.3
167.03508	47.3
179.03505	6.8
179.07030	0.5
180.04260	0.7
181.05058	4.4
191.03531	0.6
193.01480	0.9
193.05034	1.1
195.02956	1.2
197.04663	2.0
206.02290	0.7
209.04579	100.0
218.13678	0.6
221.04578	3.2
239.05647	15.8
251.05605	0.6
255.05107	1.0
257.05682	1.2
286.55090	0.5
298.81326	0.5
329.08755	4.2
371.09918	4.4
408.39590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64017	0.3
51.55078	0.4
56.60947	0.4
57.68761	0.5
59.01386	100.0
61.43780	0.4
86.54388	0.5
164.40088	0.5
272.21408	0.5
327.52921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48134	0.4
55.30396	0.4
59.01389	0.5
61.98841	100.0
72.86772	0.5
85.97179	0.5
97.81396	0.5
165.96530	0.5
249.06671	0.5
288.58600	0.5
305.27527	0.6
328.63895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72857	0.6
55.01884	0.8
59.01390	20.6
64.50796	0.8
67.01919	1.2
67.56583	0.7
71.01389	10.1
73.02962	10.1
81.03458	3.5
83.01396	1.8
85.02972	3.5
85.06599	7.3
91.09417	0.9
92.10691	1.0
93.03466	0.9
95.01393	1.0
99.04505	1.2
100.73109	0.9
101.02426	6.4
102.59290	0.8
107.01403	3.5
108.02180	8.7
109.02961	42.1
109.03690	1.7
111.00877	4.7
113.02454	3.5
122.03761	0.8
123.00890	4.6
123.04523	51.9
124.01662	6.1
125.02440	1.3
131.07147	26.6
131.91388	0.7
135.04509	3.7
137.02516	1.0
151.00401	13.2
151.04027	1.0
152.01169	22.1
152.45203	0.9
153.01956	16.2
159.93112	0.8
161.04584	3.4
164.01143	11.9
165.01953	8.8
166.02725	26.2
167.03503	100.0
167.84068	0.8
173.08189	1.1
181.05116	12.7
191.03674	0.8
194.02228	7.7
195.03110	2.7
196.03268	1.3
197.03654	1.7
209.04576	27.3
221.04765	1.1
235.08313	1.1
255.05078	1.5
256.05466	3.1
257.05624	4.0
311.07828	3.3
340.36197	0.9
345.58752	0.9
371.09824	18.9
397.11356	5.4
415.16537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14520	0.1
54.50588	0.1
55.04223	0.2
58.79587	0.2
59.01386	100.0
60.47646	0.2
61.98803	0.1
69.86308	0.2
79.19688	0.2
92.73797	0.2
92.76292	0.2
179.11533	0.2
233.58156	0.2
249.41779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
55.64179	0.4
56.17341	0.5
57.03466	0.7
59.01385	100.0
61.57488	0.4
62.49471	0.4
66.99464	0.4
71.01378	5.1
73.02948	2.3
83.01395	0.8
85.02972	2.5
85.95602	0.4
89.02454	2.1
92.10104	1.0
93.98865	0.4
101.02443	3.0
113.02473	1.1
119.53130	0.6
148.52913	0.5
159.18150	0.5
161.04593	0.7
178.51704	0.5
256.75912	0.5
404.68448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57960	58.3
66.57816	68.0
81.90423	61.2
84.01931	68.3
108.52306	78.5
120.67467	68.5
157.96849	80.7
173.97321	68.5
196.98033	77.8
232.66747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10655	1.2
57.03452	1.7
57.14930	1.2
59.01386	100.0
66.86288	1.2
67.67901	1.2
67.68276	1.3
69.03452	1.4
71.01394	9.8
72.89966	1.3
85.02949	3.7
87.00865	1.5
92.06852	1.5
92.10144	3.1
100.29572	1.4
101.02432	2.1
113.02457	1.7
137.67778	1.5
141.72868	1.4
159.28247	1.5
161.04465	1.9
171.08154	1.6
173.09666	2.8
191.10794	7.1
273.46869	1.8
276.44119	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	413.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58324	0.2
54.56539	0.2
55.01887	1.9
55.96349	0.2
57.03456	1.6
57.16236	0.2
59.01384	100.0
60.01713	0.2
60.60743	0.2
64.59476	0.2
71.01379	10.7
72.35233	0.3
73.02948	4.0
74.77454	0.3
83.01388	2.2
85.02947	7.6
89.02445	2.8
95.01398	1.4
97.56739	0.3
99.00862	0.6
101.02444	7.7
113.02460	4.2
117.71906	0.3
119.03509	0.4
161.04533	2.2
209.15425	1.7
353.19580	1.8
371.20856	8.9
372.21396	0.3
413.22006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73697	0.5
59.01385	100.0
71.01389	2.8
73.02975	0.7
76.56743	0.7
76.94584	0.7
78.44037	0.6
85.02967	1.2
87.41407	0.7
89.02481	0.7
101.02442	1.4
135.04642	0.6
137.09735	0.9
209.15680	1.2
343.27170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.4
59.01384	74.9
60.29940	0.8
62.08443	0.8
66.49574	0.8
67.05529	0.9
69.03455	2.0
71.01380	13.4
73.02943	18.8
75.00892	2.0
83.01392	4.3
83.05048	1.3
85.02959	3.7
93.07097	1.7
95.05062	1.2
100.63744	0.8
101.02456	7.5
107.08652	1.6
113.02469	2.0
119.05004	1.6
119.08663	11.4
125.02479	1.1
135.04475	1.2
135.11812	11.4
147.11801	21.8
149.09718	1.0
173.09689	1.6
179.10760	8.0
191.10794	17.4
205.12393	1.2
209.11859	100.0
233.11818	2.1
251.12830	3.6
269.22870	1.0
299.98468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00663	0.4
58.00603	0.5
59.01384	100.0
64.34277	0.4
70.00943	0.4
71.01378	4.4
73.02942	0.9
75.27760	0.4
80.53146	0.4
83.01405	0.5
83.62286	0.4
84.04915	0.4
85.02966	2.3
89.02437	1.1
101.02426	0.9
113.02460	0.7
119.17609	0.4
121.02966	0.6
121.73392	0.4
135.04477	0.8
139.40703	0.4
165.82346	0.5
248.80171	0.4
265.12973	0.8
413.14240	1.0
429.83392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85209	0.6
55.01881	1.2
55.34929	0.6
58.44129	0.6
59.01386	100.0
60.63706	0.6
61.30387	0.7
63.17665	0.8
71.01381	9.8
73.02944	4.5
83.01385	1.7
85.02955	7.2
92.65438	0.8
99.00874	1.8
101.02454	10.2
113.02448	5.5
137.73480	0.7
159.02917	1.0
161.04605	1.7
173.54300	0.8
291.18109	15.6
333.19177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82341	1.0
59.01397	1.1
60.99314	19.0
77.37349	0.8
88.98802	100.0
98.87371	0.9
153.42413	0.9
264.39935	1.1
344.01184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64312	1.0
52.37076	0.9
55.01908	1.7
56.60880	1.0
58.00617	0.9
59.01391	43.2
60.41321	0.9
69.03482	6.0
71.01392	34.3
73.02959	7.2
78.95911	7.0
83.01399	1.6
85.02969	5.4
89.02442	30.3
89.02941	1.8
93.03461	5.1
96.97013	1.4
97.02967	5.0
99.00884	4.5
101.02437	5.2
105.01903	1.6
113.02460	1.9
115.04016	1.9
119.05023	100.0
125.02431	17.7
127.04029	1.5
131.03545	2.6
138.44716	1.0
140.85384	1.2
141.51602	1.1
143.03461	1.8
145.03052	1.5
149.04564	4.9
152.99565	12.1
155.59470	1.1
161.02455	1.6
167.54811	1.1
167.96895	1.4
191.05669	1.7
195.05034	1.3
233.06633	11.2
293.08829	12.6
302.99677	1.4
381.13214	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98989	1.3
55.01878	3.1
57.03438	1.3
59.01385	30.5
71.01379	16.3
71.05037	7.0
72.99286	1.3
73.02946	39.0
81.03478	2.5
83.01408	6.0
85.02955	11.2
86.50048	1.3
87.00894	2.8
89.02460	2.2
95.01424	5.7
97.02985	1.7
99.00883	1.7
101.02435	22.8
101.83508	1.4
107.01395	5.9
108.02190	5.8
109.02212	3.4
109.02954	86.6
111.00888	3.5
113.02461	6.3
115.04014	31.0
123.00887	7.1
124.01639	5.9
125.02438	8.5
135.00902	5.7
137.02481	2.7
146.20178	1.5
148.72821	1.5
152.01169	17.3
153.01930	100.0
154.02248	1.5
160.86296	1.5
161.04536	17.2
163.04103	1.8
167.03493	1.5
177.04008	2.7
182.05896	1.5
195.02972	27.0
225.04120	2.1
233.10265	7.5
238.76305	1.5
255.05104	28.7
277.09344	7.6
281.43152	1.5
297.06189	23.8
313.05981	1.9
369.11911	61.1
383.49054	1.6
395.09882	6.2
413.10941	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82029	0.7
55.46280	0.5
57.03477	5.0
59.01384	8.1
60.99323	4.2
66.82658	0.5
69.88504	0.8
71.01382	0.9
73.02950	61.4
78.95924	3.4
85.02974	0.9
87.00901	0.9
88.98814	27.3
89.02462	3.0
95.75233	0.6
96.96016	52.8
96.96926	4.5
98.95621	0.9
99.00885	7.5
99.04530	3.6
101.02442	3.1
109.02980	2.4
116.92863	4.7
117.01944	100.0
125.02480	1.1
133.05035	2.5
138.58931	0.7
143.03554	0.7
147.03004	4.8
151.06100	2.7
153.01938	3.8
182.38319	0.8
187.22375	0.6
189.57521	0.6
193.07243	0.7
200.92741	0.7
223.54932	0.6
255.05089	1.3
295.10309	3.9
315.07224	2.4
386.44748	0.6
434.59280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72332	0.5
52.55384	0.5
59.01379	11.9
59.01656	0.9
61.98808	0.5
71.01361	3.8
76.56554	0.5
83.01395	0.5
84.21955	0.6
85.02934	0.9
89.02442	1.2
91.01900	0.8
92.64209	0.6
95.01363	0.7
101.02464	0.6
108.02196	2.2
109.02954	34.4
111.00913	3.5
119.03560	0.6
123.00914	0.8
123.04546	2.2
124.01662	3.0
135.04465	0.9
151.03983	2.2
152.01157	26.2
153.01942	44.8
155.03238	0.6
167.03542	0.7
191.03656	0.5
195.02998	91.6
198.91951	0.6
225.04028	0.7
255.05122	100.0
256.05435	1.0
283.09808	1.1
315.07379	2.1
339.05103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.59024	0.5
73.81339	0.5
79.16976	0.5
105.08198	0.6
106.72723	0.5
123.05739	0.6
173.94171	0.7
197.49854	0.5
199.54559	0.6
212.56711	0.6
212.95450	0.6
255.20395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03675	0.3
57.92355	0.3
59.01368	0.4
61.98833	100.0
66.01750	0.3
67.04005	0.3
68.69358	0.3
107.75282	0.3
109.72044	0.3
175.63573	0.4
176.94505	0.4
221.93465	0.4
226.94577	0.5
372.21381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82445	0.2
59.01392	1.5
62.32757	0.2
63.73521	0.2
67.66339	0.2
69.47427	0.2
71.01376	0.2
78.95885	1.7
79.95753	1.5
84.93069	0.2
89.02438	0.4
90.31135	0.2
96.96001	100.0
96.96992	2.6
97.44067	0.2
101.02462	0.3
109.02952	1.4
113.02436	0.3
119.30146	0.2
119.44975	0.2
120.06606	0.2
145.89680	0.2
148.43886	0.2
152.01212	0.3
153.01933	4.2
154.99290	0.2
195.02965	2.2
196.54288	0.2
255.05080	0.9
315.07236	4.7
336.81082	0.2
391.13217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36390	0.4
55.01885	2.3
57.03455	0.9
59.01384	100.0
71.01378	16.9
72.99299	0.4
73.02940	5.7
83.01394	3.6
85.02953	9.5
87.00867	0.6
89.02464	1.7
95.01390	0.9
99.00873	2.6
101.02437	11.1
102.57000	0.4
113.02456	6.2
119.05018	3.3
127.11241	0.7
135.04584	0.4
141.27042	0.4
159.02998	0.9
159.04529	1.4
161.04535	3.9
203.03471	2.0
252.78639	0.4
289.16589	11.4
323.09244	2.2
331.17584	2.1
400.28381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53283	0.5
53.51119	0.5
55.01884	1.0
57.03450	0.9
59.01388	100.0
61.70493	0.6
66.54218	0.6
68.55787	0.6
69.03465	0.6
71.01385	22.1
72.42365	0.5
73.02953	26.9
83.01392	5.8
84.33650	0.6
85.02949	5.5
87.00895	1.0
89.02448	7.0
95.01389	1.1
101.02448	17.4
113.02457	9.1
116.00176	0.6
117.01955	0.8
119.03509	2.4
125.02477	0.7
129.39471	0.5
131.03485	1.2
134.03761	1.2
137.09737	13.2
147.04494	0.6
161.04555	3.0
161.06038	2.3
189.12819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20534	0.2
59.01392	100.0
62.52327	0.2
71.17607	0.2
78.18630	0.2
78.95906	0.3
84.56908	0.2
101.30588	0.2
116.92847	0.2
126.12189	0.2
152.07988	0.2
153.45522	0.3
153.82794	0.2
230.64799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90398	1.8
51.04156	1.7
54.52029	2.0
58.84797	1.7
58.93256	1.8
59.01394	12.6
61.98824	2.4
66.20527	2.1
72.00910	57.6
74.02468	24.6
75.88395	2.1
77.63287	2.3
78.58490	2.0
85.02957	8.9
87.00889	3.2
92.55344	2.5
96.95995	17.5
100.00405	90.0
100.01040	3.8
100.04056	5.5
109.02947	4.1
113.02465	13.9
116.92847	16.8
118.05102	100.0
118.05917	4.0
123.95403	2.3
133.03085	3.3
137.02452	8.5
144.03026	55.6
153.02048	2.4
160.02670	9.2
161.02400	4.9
237.25031	2.2
277.29636	2.2
374.75497	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31650	1.1
52.93844	1.1
59.01391	100.0
67.11599	1.2
67.95053	1.1
71.01389	29.0
72.99334	1.6
73.02953	56.6
75.44384	1.1
83.01421	9.3
85.02988	6.2
87.00901	3.0
92.10149	1.9
97.02936	1.9
101.02454	21.8
113.02470	8.3
115.05536	3.0
117.01956	5.1
117.03443	1.9
119.05046	1.6
125.02420	2.4
128.23434	1.2
131.05025	11.5
133.02950	2.0
133.06593	11.6
134.03741	9.1
135.04576	2.4
137.02411	2.4
137.09702	1.7
138.90199	1.4
143.03534	1.5
147.04538	39.5
156.33752	1.4
161.04744	2.8
161.06090	40.0
178.02751	6.2
189.05602	23.8
191.68469	1.3
293.10306	3.0
429.14423	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	411.0934
Annotation	Cibotiumbaroside A
Peak:m/z	Relative Intensity
50.58067	0.5
59.01377	14.0
71.01392	4.2
89.02455	2.8
95.01393	1.1
101.02436	1.0
108.02161	5.0
108.08900	0.5
109.02215	1.3
109.02956	36.2
111.00883	2.9
111.13255	0.5
113.02467	4.0
123.00902	0.9
123.04562	1.4
124.01677	2.5
131.47888	0.6
149.02399	1.4
151.03990	1.3
152.01157	25.1
152.02377	1.1
153.01947	54.7
167.03526	1.4
179.31824	0.6
195.03003	93.1
225.04082	1.0
255.05133	100.0
256.05630	0.8
297.06113	2.7
315.07275	3.4
354.15189	0.6
411.09421	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	411.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14363	1.6
53.90740	2.0
55.01880	4.1
57.03453	2.6
59.01121	2.9
59.01388	83.2
59.27280	1.6
60.01729	2.5
61.98843	2.9
71.01382	22.6
72.99301	3.1
73.02937	3.6
75.00878	2.2
81.03457	13.0
83.01399	14.3
85.02952	58.0
87.00884	26.0
88.98815	3.2
89.02436	16.0
92.10122	5.7
93.03452	91.3
95.01408	7.9
96.95999	3.0
98.19646	1.8
99.04527	11.7
101.02454	28.7
107.05038	3.5
108.02123	3.8
109.02961	8.7
111.00883	30.1
113.02422	15.5
114.02740	2.2
119.14805	2.0
121.02917	3.1
127.03992	10.4
129.01926	36.1
133.02960	25.5
135.02982	3.7
135.04510	11.0
136.01651	43.5
137.02435	98.4
149.02461	5.0
151.03990	11.0
153.01921	14.0
159.04518	2.7
161.02466	40.4
161.05959	2.8
177.09239	3.6
179.03514	100.0
187.07623	3.7
195.02847	3.1
205.08763	3.0
209.04538	8.3
239.05641	65.3
249.11356	4.0
255.04900	2.9
275.09268	10.1
281.06772	4.4
299.07745	10.5
323.07684	9.1
350.18710	4.3
351.19800	5.1
367.10599	4.0
377.75336	2.3
411.08914	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	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.43055	0.4
59.01387	1.0
60.88881	0.5
78.95910	67.9
84.68393	0.5
96.96960	7.1
136.96986	0.6
150.98029	2.5
152.99596	100.0
170.80882	0.5
171.00612	2.6
207.92159	0.5
221.94742	0.4
239.26027	0.5
255.23322	2.0
261.89899	0.5
363.27203	0.6
409.19266	0.6
409.23764	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	409.2366
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
53.49961	0.4
59.01399	0.6
61.98842	3.1
78.95903	75.6
96.96959	7.2
111.17779	0.5
127.99798	0.5
150.97995	2.2
152.99600	100.0
171.00659	2.5
255.23247	2.7
305.82510	0.6
409.23572	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82941	74.0
73.75048	81.9
101.09370	88.6
108.14261	85.8
112.20003	80.4
120.37132	78.8
202.35606	99.5
225.67752	90.9
225.78540	100.0
316.23746	84.9
369.85687	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.64015	0.4
57.03441	1.1
58.00593	1.0
59.01382	100.0
69.03435	0.5
71.01379	27.2
72.99309	1.1
73.02938	3.8
83.01370	2.2
84.99996	0.5
85.02946	6.9
87.00861	1.0
87.04530	0.7
89.02438	23.0
92.10819	1.2
95.01382	1.0
99.00855	1.9
101.02435	16.3
109.31101	0.5
113.02458	12.2
119.03495	10.2
143.03471	1.2
149.04454	0.5
157.62965	0.5
159.49771	0.5
161.04520	7.7
175.79951	0.5
179.05663	4.7
187.13376	5.3
213.53906	0.6
230.02812	0.5
257.14539	0.5
272.21805	0.5
349.18710	39.9
350.18961	0.6
355.58682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03447	0.9
58.00593	0.7
59.01381	100.0
60.22733	0.4
71.01376	25.0
72.99306	0.9
73.02933	3.0
80.82450	0.4
82.95419	1.0
83.01392	2.8
85.02950	9.7
87.00880	2.2
88.98801	2.6
89.02434	26.9
95.01360	2.3
96.96012	0.5
97.02943	0.4
99.00887	0.7
101.02433	17.9
109.02940	1.7
113.02444	13.3
119.03487	10.5
131.03488	0.7
143.03534	1.7
153.01915	2.1
159.03041	0.6
161.04552	8.9
169.85674	0.5
179.05612	8.1
187.13387	5.1
226.33527	0.4
260.25372	0.4
277.12955	2.8
279.65375	0.5
305.16003	0.7
349.18713	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	0.6
55.01875	1.3
57.03455	1.4
57.35394	0.8
59.01385	100.0
67.88182	0.7
68.87104	0.7
71.01375	26.2
71.01720	1.1
72.92374	0.6
73.02959	5.1
74.65730	0.8
80.58823	0.7
82.95421	1.1
83.01410	3.0
85.02949	9.9
87.00893	1.8
87.04524	1.3
88.98857	0.8
89.02445	22.6
91.65382	0.7
95.01366	1.7
96.95953	1.0
99.00913	1.1
101.02437	18.5
104.87894	0.7
113.02466	14.7
119.03490	8.5
149.02438	1.2
161.04546	11.5
179.05618	1.7
187.13455	6.2
236.07463	0.9
241.42087	1.0
245.73701	0.8
319.85922	0.9
349.18735	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1509
Annotation	Butyl chlorogenate
Peak:m/z	Relative Intensity
51.16581	0.3
51.72269	0.3
59.01385	10.5
71.01368	3.4
76.57383	0.4
80.40408	0.3
85.02983	0.4
89.02445	1.2
101.02472	0.7
105.03493	0.8
109.83643	0.4
113.02468	0.7
113.99155	0.3
117.03448	0.5
132.02155	2.5
133.02957	45.8
134.03732	4.2
135.04523	10.6
137.02451	0.6
155.35524	0.4
161.02451	100.0
162.02864	0.4
178.02687	1.8
179.03545	3.8
201.74496	0.4
203.10742	0.7
255.16251	0.3
275.09280	0.6
277.09796	0.6
280.66324	0.3
284.36090	0.3
285.04166	0.4
293.10306	0.5
409.15091	36.0
410.15564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94870	0.7
52.97364	0.6
54.73442	0.8
59.01381	9.1
60.89570	0.8
64.34333	0.9
66.14756	0.8
71.01373	1.1
74.99115	1.3
78.91912	4.2
78.95899	2.2
79.95738	1.0
81.30317	1.0
82.95446	0.8
85.02970	1.0
93.03471	2.0
95.95221	1.6
96.96000	75.6
96.96988	4.3
99.95741	0.8
106.81941	0.9
116.24722	1.0
120.17234	0.8
121.02961	9.5
122.03711	11.7
134.03642	1.0
135.04575	3.3
136.01675	3.7
137.02324	1.0
149.02444	68.7
150.03229	98.1
151.04002	4.9
153.05614	1.0
161.02422	2.0
164.04771	14.8
165.05568	100.0
174.78061	0.9
179.03476	1.4
180.04274	3.8
195.06641	14.7
203.45961	0.9
213.07672	1.8
255.04590	0.9
285.07611	6.2
286.08383	11.1
301.10822	18.3
361.12967	40.7
380.28604	1.1
409.15289	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	409.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82903	1.7
59.01384	2.7
71.17676	2.0
78.13923	1.8
78.95923	3.0
86.01205	1.6
96.96025	4.2
96.96976	2.3
98.54884	1.8
98.95602	13.5
99.00872	3.0
99.92583	49.1
100.93362	9.8
107.22369	2.2
115.92071	67.9
116.92850	100.0
125.58517	2.1
206.97586	2.0
245.90982	2.3
291.19720	3.1
352.35355	2.2
373.11172	11.7
387.09055	4.4
391.12296	10.5
409.13367	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03461	4.5
59.01385	15.6
59.01609	1.0
68.99567	7.7
71.01369	10.9
72.99307	1.2
73.02944	63.3
81.03468	1.0
82.38658	1.1
82.95448	1.1
83.01429	1.5
85.02940	8.3
87.00906	1.6
89.02455	1.7
96.38663	1.0
96.96008	30.4
98.95611	5.6
99.00900	11.4
99.04536	4.7
99.92585	1.3
101.02435	26.0
111.00889	5.1
112.98595	6.9
113.02457	2.2
115.00375	7.7
116.92860	23.1
117.01937	100.0
125.02503	1.2
127.04052	4.7
129.01959	14.7
129.03603	1.2
130.08719	12.3
131.09082	4.5
133.01442	12.6
133.05063	1.9
135.04538	4.3
140.25034	1.1
141.01291	1.0
149.00903	4.6
151.06175	1.2
178.53209	1.1
179.03539	4.4
233.04797	1.1
291.07187	8.2
295.10352	1.6
309.54465	1.2
409.08090	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	409.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62662	0.5
58.09582	0.6
59.01382	4.9
61.62641	0.5
68.81004	0.6
72.99315	5.2
73.02956	5.2
75.00873	0.6
78.95940	0.7
86.45400	0.6
87.00871	13.8
87.01357	0.7
96.96025	7.3
96.96978	1.4
101.07839	0.6
103.00391	2.8
107.05039	0.9
112.98834	0.6
114.81147	0.6
116.92845	2.4
117.01942	8.0
133.01398	0.7
134.03758	6.8
134.79471	0.7
135.04526	100.0
135.13110	0.6
136.04857	0.8
149.00929	76.1
156.04712	0.6
179.03516	98.2
209.08377	0.6
234.47656	0.6
311.04141	11.7
314.04263	0.6
399.84683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.6
61.98854	1.4
67.75354	1.4
71.01398	1.9
72.99321	1.8
75.44661	1.4
84.44289	1.3
85.02966	1.4
91.11356	1.3
96.96010	100.0
101.02467	1.6
101.63402	1.9
103.89686	1.4
116.92858	6.4
119.05000	1.8
123.13287	1.5
126.20001	1.3
127.28145	1.3
133.02933	1.6
134.03740	49.8
135.04492	9.7
149.00909	6.8
149.06090	48.2
150.03299	1.7
151.04082	2.6
163.04034	7.7
165.05559	1.7
179.03514	8.0
181.05052	3.0
210.07965	1.5
211.06148	25.0
271.55453	1.6
429.54471	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	408.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.0
57.33734	0.5
59.01380	8.8
61.98833	12.2
68.59180	0.6
71.01409	0.9
76.51598	0.6
83.01387	1.1
96.96003	3.9
109.63695	0.7
121.02936	2.9
125.02441	100.0
133.02943	2.9
135.04515	2.8
137.02457	1.5
139.03981	0.9
149.02480	0.8
149.06087	2.8
160.04030	3.7
161.02448	26.3
162.03159	0.7
164.01192	5.6
165.01978	2.8
168.99576	0.9
179.03456	2.9
179.05209	0.6
186.02330	2.9
191.03435	0.7
192.03833	0.9
209.08238	0.8
209.65536	0.6
210.08649	1.2
211.72807	0.8
225.05748	1.0
242.05295	0.7
269.04648	1.4
281.56519	0.7
287.05658	8.2
372.14023	2.2
432.78717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70484	0.3
59.01377	1.3
61.35158	0.3
72.99299	1.6
76.06510	0.3
78.95905	0.6
79.95730	1.5
87.00862	3.8
96.96004	100.0
97.55090	0.3
98.95615	0.7
103.00349	0.6
107.04993	0.3
107.39092	0.3
111.00847	0.4
119.97371	0.3
128.65950	0.3
130.99905	0.3
134.03799	1.4
135.04524	23.9
149.00926	22.5
179.03503	23.8
236.25409	0.3
238.23938	0.3
311.04068	2.6
409.05823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86751	0.2
59.01369	0.4
62.68720	0.2
64.31427	0.3
78.95899	100.0
83.27776	0.2
87.00847	0.3
89.56211	0.3
89.95518	0.2
96.96955	9.2
110.95572	0.3
122.46152	0.3
124.02918	0.3
134.03740	0.6
150.98022	2.3
152.99591	72.3
153.99936	0.4
171.00645	41.7
183.01169	0.6
204.56807	0.3
211.24271	0.4
275.09296	1.2
325.18503	1.5
356.13828	0.3
407.22180	2.3
431.99612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.83939	0.6
56.38002	0.7
58.40784	0.6
59.01392	1.6
65.67171	0.7
75.47385	0.7
78.95904	100.0
96.96966	10.9
134.03738	1.7
150.98027	1.2
152.99606	71.2
171.00655	41.0
231.10258	1.4
242.80270	0.8
275.09171	3.6
278.98523	0.8
325.18433	1.6
332.64032	0.8
358.05658	0.9
407.22211	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	408.0433
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01384	4.1
63.48074	0.7
64.97045	0.8
71.01380	1.7
71.37284	0.6
74.99091	72.0
79.95732	15.3
80.96526	3.7
85.02988	1.0
88.25391	0.7
95.95229	73.3
96.96004	100.0
101.02434	1.2
119.03471	1.1
131.86902	0.8
132.04550	0.8
138.76924	0.6
138.97145	1.2
148.91902	0.7
161.96342	0.8
166.03305	3.5
195.03352	1.3
259.01334	1.6
274.98877	1.1
365.07071	0.8
408.04333	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.4
67.47990	1.3
70.53713	1.6
71.01381	30.1
72.99307	2.0
78.91905	1.9
80.91679	39.5
80.92120	2.0
83.05023	2.8
84.02170	2.0
87.00890	8.9
89.03944	1.7
95.05025	5.1
97.06596	3.7
99.66809	1.5
104.03278	1.4
105.03471	2.3
112.98843	1.3
113.46837	1.4
115.07670	1.5
117.03498	3.3
119.05069	1.3
123.04497	14.0
125.09733	2.0
127.07654	17.1
133.02957	9.0
134.03741	26.0
135.04539	8.2
149.00935	16.0
153.09261	7.9
162.03255	2.1
163.11346	2.9
164.74023	1.5
165.01685	1.7
171.10260	3.1
177.01953	3.0
178.02675	7.0
178.09914	1.4
183.57756	1.5
185.11813	10.7
187.07675	8.0
197.11845	10.8
202.06516	1.9
207.10008	18.3
209.07912	1.8
209.11861	27.0
213.09203	1.7
219.10059	8.6
221.07939	12.3
231.10272	11.8
245.19038	1.7
246.63841	1.4
260.10284	27.4
264.09686	1.9
275.09277	39.5
277.10574	3.6
278.11374	100.0
289.18121	3.4
307.19232	36.7
325.20178	16.2
327.90497	1.9
329.17401	39.5
347.18347	17.1
393.87930	1.5
401.43204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54049	0.8
56.56285	1.3
59.01385	21.5
72.99309	1.3
73.87549	1.0
74.35722	1.1
75.00883	1.1
81.99475	1.2
84.99298	1.6
85.02930	1.4
87.00867	10.9
97.06577	1.4
103.00370	2.3
105.03475	1.3
106.04223	1.3
109.93773	1.2
112.98823	10.3
116.50181	1.4
133.02982	14.5
134.03734	69.3
135.04553	11.3
137.02435	5.0
145.02962	4.0
149.00893	7.3
149.02345	1.4
153.88939	1.3
161.02444	11.9
162.03224	49.0
177.01900	8.9
178.02721	5.9
187.07619	5.0
205.05037	1.8
209.11858	16.7
231.10280	13.6
275.09274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30884	1.0
50.84575	0.9
51.64667	0.8
55.37389	0.8
57.03463	1.1
59.01385	27.4
59.01659	1.6
62.41045	0.8
63.01414	0.8
71.01409	1.6
72.99300	1.8
83.05050	1.1
85.02976	2.4
87.00871	7.5
91.05537	4.1
96.96038	5.4
101.02438	1.3
108.94012	1.0
109.02966	9.9
112.98832	2.5
118.98096	4.4
121.02990	3.7
122.03741	6.3
123.04548	5.1
125.02464	2.4
133.02925	1.6
134.03734	18.8
135.04520	2.5
136.01657	60.9
144.53294	1.1
145.03000	1.2
146.03751	4.8
147.02971	0.9
147.04514	1.2
148.05385	1.1
149.00897	6.6
149.02466	11.2
149.06126	11.8
150.03239	50.6
151.04021	65.2
153.01927	6.1
158.03731	12.1
159.04506	25.7
161.02457	1.7
164.04765	1.8
165.05576	53.9
172.05280	4.9
173.06096	14.4
174.06876	6.0
175.07663	4.6
180.04323	1.9
181.05138	5.1
187.04022	6.3
187.07655	50.9
193.05072	2.0
195.06656	16.4
201.05588	4.0
202.06387	10.4
203.10800	14.1
209.08246	6.3
211.06223	2.5
213.09259	4.0
216.07814	1.1
231.10295	23.9
275.09299	100.0
276.09799	1.2
391.81479	1.2
407.13705	15.7
427.53275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55550	0.7
56.64355	0.9
59.01385	24.6
71.01398	1.5
74.94530	0.9
87.00885	1.1
93.03481	1.2
96.96045	5.5
105.03517	1.1
108.02177	2.4
121.02957	11.7
122.03762	7.8
123.04549	5.9
134.03743	41.2
135.04552	2.3
136.01669	95.5
147.03044	2.2
149.02452	18.9
149.06108	21.2
150.03242	55.8
151.04024	100.0
159.04556	1.9
161.02472	1.1
164.04779	2.4
165.05579	47.3
173.06079	1.2
180.04276	3.7
181.05084	6.4
187.07707	7.4
195.06645	16.7
202.06325	1.4
211.06151	3.5
231.10269	2.2
236.04781	2.3
241.05223	1.3
252.04294	4.7
255.06683	4.5
269.04675	2.0
275.09274	13.4
284.06900	8.6
299.09280	19.2
341.10458	3.8
359.11331	12.0
379.84808	1.0
407.13568	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06157	0.5
52.23241	0.6
58.55582	0.6
59.01381	13.3
60.26734	0.7
72.99306	16.2
81.03489	0.7
87.00872	35.0
95.22710	0.6
101.07611	0.8
101.12086	0.6
103.00370	6.5
105.01936	2.8
112.98800	0.7
123.04527	3.5
130.99823	1.3
133.02980	0.9
134.03764	1.0
141.46190	0.6
149.00925	100.0
158.03665	0.8
159.04509	2.8
172.05312	5.0
173.06084	3.2
174.06905	1.3
187.04048	1.2
187.07663	26.1
189.77805	0.7
201.05585	3.4
202.06358	6.8
203.10765	1.4
209.36438	0.6
213.09235	13.9
215.07161	1.5
217.35983	0.6
231.08173	1.2
231.10312	21.8
245.08209	1.5
257.08200	3.3
275.09262	20.0
337.54913	0.7
391.65820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72721	0.6
58.86924	0.6
59.01390	37.7
61.98851	0.5
61.99900	0.7
62.48091	0.6
71.01373	5.7
84.56317	0.6
85.02963	0.8
86.84544	0.6
87.00880	1.6
89.02466	3.5
92.46262	0.6
93.03463	2.8
96.96021	1.1
101.02464	1.3
105.03496	0.7
108.02198	1.4
109.02971	0.8
116.92875	0.9
119.03493	0.9
121.02950	13.0
122.03732	7.1
123.04528	4.7
133.02896	1.0
134.03735	39.5
135.04501	1.6
136.01659	100.0
137.02458	1.1
146.03819	0.9
149.02452	24.5
149.06079	21.4
150.03232	62.4
151.04013	97.3
152.80147	0.7
153.72565	0.8
158.03729	0.9
159.04510	4.7
164.04785	3.7
165.05576	48.0
173.06149	1.4
178.02664	1.3
180.04338	5.0
181.05048	5.7
187.03949	0.8
187.07693	7.4
193.05057	4.3
193.06758	1.1
195.04878	1.0
195.06625	16.8
201.05705	1.0
202.06490	1.0
202.66843	0.8
203.10799	1.5
211.06096	3.0
221.88585	0.8
223.03993	1.5
224.04778	0.8
231.10201	1.6
236.04831	3.3
237.05666	1.3
240.04266	1.1
241.05080	1.6
241.13577	0.7
245.14079	0.8
252.04233	5.7
255.06607	4.7
256.07446	1.1
263.84512	0.8
267.06619	2.7
269.04425	1.2
275.09253	17.2
284.06885	8.1
299.09253	17.8
341.10181	5.3
344.11923	0.7
346.24182	0.7
357.55170	0.7
359.11484	15.2
374.18277	0.8
384.78989	0.8
389.12338	1.5
407.13577	32.4
407.19202	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	17.4
59.01658	1.0
68.31075	0.6
69.03510	0.6
72.99313	15.9
73.87800	0.6
75.00893	0.9
87.00873	32.2
98.87813	0.6
103.00365	6.2
105.01955	2.7
146.03731	0.9
149.00925	100.0
151.07591	0.6
158.03755	1.2
159.04530	4.4
159.08121	0.8
159.10275	0.8
172.05327	10.9
173.06071	7.4
174.06873	1.2
175.07640	1.0
184.05508	0.9
187.04086	3.7
187.07657	46.9
200.04834	2.8
201.05580	8.0
202.06380	13.3
203.10834	2.7
211.07813	0.7
213.09256	13.3
215.07188	6.6
216.08061	0.6
222.73563	0.7
231.10269	24.6
257.08206	2.5
275.09296	17.5
295.84671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.3
72.99308	1.4
78.95903	1.0
81.90601	0.6
84.99323	1.1
85.03021	0.6
87.00867	12.8
89.03971	16.3
97.06638	1.1
102.88190	0.6
103.00369	4.3
105.03448	1.1
107.05004	0.8
112.98827	9.3
117.03467	64.2
119.05005	0.7
133.02963	15.2
134.03746	41.7
135.04524	45.0
137.02464	5.2
139.03995	1.2
145.02924	1.2
149.00957	6.3
149.01997	0.5
153.07965	0.6
159.04590	0.8
161.02434	4.3
162.03235	14.1
177.01933	7.1
178.02737	15.0
187.07594	1.2
197.63480	0.6
203.10780	0.6
217.14841	0.7
220.66409	0.7
231.10237	7.0
275.09290	100.0
350.17441	0.6
407.10110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88996	0.6
51.39272	0.5
59.01381	10.3
59.01600	0.6
63.21160	0.6
72.99342	0.8
77.03968	0.8
80.21511	0.7
82.72936	0.7
87.00866	11.0
91.22338	0.7
97.06590	5.5
98.24184	0.6
102.98809	0.7
103.00401	1.7
105.03472	4.8
106.04266	1.1
109.02953	3.1
109.68439	0.8
112.98792	7.5
116.47371	0.7
117.03463	1.1
121.02938	1.4
121.44662	0.7
123.04590	0.8
124.74895	0.9
131.03563	1.1
131.92670	0.7
133.02953	42.8
134.03738	100.0
135.04553	8.8
137.02440	9.0
139.04005	3.7
149.00934	3.2
149.06148	1.0
161.02434	1.4
162.03271	1.1
177.01936	17.6
178.02724	26.7
179.03476	1.7
206.05864	0.9
213.09305	0.8
231.10274	4.3
238.24937	0.7
275.09268	79.3
310.03540	2.0
310.06696	0.8
411.94379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01384	2.3
65.11485	0.2
71.01373	0.4
73.02934	0.3
78.95899	9.8
79.95728	2.2
79.96047	0.1
85.02964	0.2
89.02448	0.8
96.96008	100.0
96.96925	16.7
98.12637	0.2
98.54252	0.2
98.95545	0.3
101.02432	0.7
113.02473	0.3
117.01894	0.4
126.79845	0.2
129.05579	0.3
133.02904	0.3
155.46417	0.2
202.26511	0.2
309.11966	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	407.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82645	0.2
59.01381	1.6
71.01383	0.4
78.95901	9.0
79.95744	2.1
85.02939	0.9
89.02451	0.4
89.48934	0.2
91.30350	0.2
92.10222	0.4
96.96006	100.0
96.96922	15.4
101.02433	0.4
103.46662	0.2
118.07163	0.2
119.03371	0.2
129.01906	0.5
309.11893	2.7
394.01965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82253	0.7
59.01385	12.4
59.84161	0.5
61.57605	0.6
66.50044	0.5
70.45927	0.5
72.99306	1.0
84.99300	0.7
87.00864	12.4
97.06567	5.8
103.00367	1.2
105.03470	3.6
106.04260	0.7
109.02998	0.8
112.98805	6.7
113.26465	0.6
114.38017	0.8
117.03432	0.9
133.02946	32.1
134.03737	100.0
135.04520	6.9
137.02444	4.2
139.03995	0.9
145.02954	0.7
149.00897	3.2
149.06059	5.3
159.04523	1.2
161.02412	1.2
162.03094	1.1
177.01913	12.3
178.02716	16.2
187.07614	1.0
188.04709	0.8
203.10808	0.7
205.14503	0.6
206.05847	3.0
231.10251	3.7
275.09271	75.4
295.09830	0.9
415.41360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80295	0.4
54.44420	0.4
59.01396	3.5
59.72451	0.5
61.98837	0.6
72.99295	0.5
87.00890	3.1
95.25899	0.5
103.00379	0.6
105.03558	0.6
107.05051	0.8
108.02182	0.6
109.02949	5.3
112.98833	0.6
117.03497	1.3
133.02966	2.5
134.03731	11.7
135.04524	100.0
148.01703	0.6
149.00925	3.8
161.02428	2.0
162.03204	1.2
172.01668	12.5
178.02670	1.2
187.07664	3.0
200.01086	4.6
201.02028	0.9
212.01239	0.8
213.02020	0.7
228.00630	2.4
230.02197	1.0
231.10313	3.6
254.02603	0.7
254.99359	2.1
256.00159	56.7
257.00858	0.7
270.01813	0.9
271.02505	27.6
275.09286	11.2
281.45111	0.6
318.46161	0.5
374.04315	0.8
392.05362	0.9
407.07761	20.4
431.18738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0775
Annotation	3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone
Peak:m/z	Relative Intensity
59.01384	16.0
60.47736	0.6
65.00328	4.5
68.99820	1.3
71.01376	0.7
72.99307	1.0
73.02958	1.2
73.19073	0.7
83.01380	1.0
87.00880	1.5
93.03451	11.8
101.02506	0.8
115.05579	0.7
117.03437	4.9
119.05025	100.0
121.02950	3.3
122.00085	0.8
123.04549	1.4
124.01640	0.9
125.02378	1.4
131.03519	0.9
133.02927	4.7
134.03731	12.6
135.04518	4.1
137.02429	0.9
139.04001	1.1
143.05025	4.1
143.10774	3.4
145.02982	10.7
146.03723	3.1
147.04506	8.1
149.00940	5.3
149.02426	28.3
149.06064	1.2
151.00342	1.5
157.12273	1.1
158.03673	0.9
159.04546	7.3
161.02429	4.0
162.03177	1.5
163.03979	4.4
165.05624	2.2
169.02994	1.0
171.04538	9.6
173.02443	25.9
174.03166	1.4
175.03989	11.4
175.07603	1.1
177.01930	8.0
178.02727	1.1
185.02510	1.0
185.06033	1.2
187.04010	18.3
187.07631	1.3
188.04800	0.8
189.01906	1.4
189.05518	1.3
191.01926	1.0
191.03503	14.8
193.05000	0.7
197.02489	3.0
198.03149	1.1
199.04085	1.3
203.03551	5.3
213.01950	4.3
214.02596	0.8
215.03566	15.4
217.01408	1.1
217.05074	0.9
219.03139	1.1
229.01350	3.0
231.03021	9.9
231.10220	3.7
233.04625	13.5
236.40477	0.7
241.01476	3.0
241.05099	1.4
242.02238	1.4
243.03004	7.3
244.95345	0.7
258.01605	0.9
259.02484	47.7
261.04044	13.1
269.01065	5.2
271.06302	0.9
271.12680	0.8
273.04059	3.2
275.07004	0.9
275.09326	14.4
280.95856	0.8
285.04047	5.3
287.01886	4.1
313.03577	21.5
321.07687	3.0
379.08264	51.5
389.06699	7.8
407.07721	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11009	0.2
59.01375	1.8
60.49004	0.2
61.98833	100.0
68.12274	0.2
71.01381	1.2
85.02942	0.3
87.00887	2.1
101.02467	0.2
115.00379	2.6
116.00694	0.9
121.02863	0.2
124.44898	0.2
135.04524	0.4
137.06070	0.4
175.02481	4.7
176.02838	2.0
181.05110	0.5
343.09875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58288	0.8
57.32264	0.6
59.01379	1.3
61.98835	100.0
80.17345	0.9
83.40984	0.8
88.52937	0.9
202.28990	1.0
283.15463	1.0
364.00211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
59.01386	3.9
68.99582	1.4
71.01388	2.0
72.70441	0.2
73.02938	0.4
78.95901	0.5
84.08157	0.2
85.02956	0.8
89.02437	2.7
96.96012	3.8
96.96963	0.9
101.02458	0.9
103.56756	0.2
106.61348	0.2
112.98573	1.3
113.02453	1.5
116.92867	0.9
119.03494	2.0
129.01964	0.8
130.08736	100.0
131.09129	0.3
135.13463	0.2
141.44852	0.2
145.19081	0.2
155.03461	0.3
161.04605	0.3
179.05650	1.7
226.60133	0.2
265.46387	0.2
345.58844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45317	0.5
52.18644	0.6
59.01384	100.0
61.98824	0.8
65.50738	0.6
74.76806	0.6
79.77543	0.6
87.26237	0.6
88.94724	0.6
90.07719	0.6
94.98096	1.3
271.22845	1.4
393.45728	0.7
411.04715	0.7
421.75726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82625	1.2
55.16429	1.0
59.01392	100.0
70.39552	1.0
92.10163	1.4
102.28525	1.1
192.88498	1.2
197.20580	1.1
223.67793	1.3
225.22247	2.3
257.38730	1.2
271.22864	6.0
361.60675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42650	0.2
52.63407	0.3
53.53039	0.2
54.45971	0.2
59.01383	2.2
61.98832	100.0
71.01385	1.6
73.02949	0.3
75.00878	0.5
81.28782	0.3
85.02966	0.4
87.00871	3.2
96.95991	1.3
113.02422	0.4
115.00388	3.2
116.00657	1.0
119.04960	0.3
121.02950	0.3
137.06062	0.4
175.02472	6.9
176.02798	2.1
181.05083	2.1
191.03458	1.4
241.05165	0.4
285.03946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82509	3.4
58.75571	3.7
62.72919	3.5
95.05072	4.3
113.06103	15.8
173.80986	4.1
181.12352	6.3
197.11716	4.3
252.31026	4.2
263.87473	4.1
283.61200	4.8
291.19595	42.9
309.20776	100.0
334.34396	3.5
343.26291	8.0
369.87457	4.1
374.76678	3.9
387.25476	19.2
387.77441	5.6
407.45624	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	405.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98276	0.4
59.01385	100.0
61.98833	2.4
65.56271	0.4
94.98097	2.0
159.21455	0.6
271.22855	2.7
304.92908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06480	20.3
51.62482	20.5
59.01384	100.0
61.98840	44.3
74.28551	21.9
78.96322	29.6
92.10796	37.2
96.36776	23.6
342.90060	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41399	0.4
59.01384	100.0
61.98841	0.6
70.12347	0.4
76.82463	0.4
78.84163	0.4
85.02968	3.4
92.10820	0.9
98.00186	0.4
133.02963	6.1
134.03748	18.1
177.01981	2.5
178.02686	1.1
275.09274	14.2
285.00659	0.6
289.96301	0.5
305.34164	0.5
367.80673	0.5
406.26605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17574	1.2
51.27145	1.0
51.79940	0.9
59.17339	1.1
61.98813	1.0
62.18614	1.0
63.89764	1.0
79.95737	2.4
85.92880	1.1
91.08980	1.3
106.56334	1.1
219.71265	1.2
286.84134	1.2
361.25427	1.2
375.17520	5.8
390.19937	27.2
405.22290	100.0
405.28369	5.2
406.22437	1.5
412.20755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.0
58.26075	1.8
59.01383	22.4
61.98827	4.8
65.62773	1.9
80.02660	2.1
80.91677	45.0
81.03453	2.9
83.05022	4.3
84.02178	9.9
97.02957	2.9
97.06600	8.8
107.05019	10.3
111.00892	9.6
121.02949	4.0
125.09698	9.0
135.04559	2.9
135.08173	10.4
141.09216	2.9
153.09200	15.7
153.12926	2.5
163.11313	4.7
179.02069	2.5
179.10728	3.8
191.06866	2.8
191.10721	3.3
193.08453	13.5
197.11879	4.0
203.10583	3.3
205.08348	3.0
207.10152	13.1
209.07976	4.0
209.11818	58.8
219.10045	19.1
221.11600	9.1
225.11336	2.5
231.10014	33.1
233.03055	13.4
235.09528	2.8
247.09531	32.3
248.10303	3.4
249.11191	100.0
258.08710	4.1
261.14648	4.0
276.09796	51.7
287.16541	4.2
305.17627	43.5
308.07663	4.2
323.18683	9.3
327.15689	12.9
336.10605	4.1
345.16876	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03458	2.1
59.01383	100.0
71.01381	21.4
71.18313	1.0
73.02946	7.6
77.56190	1.0
83.01419	1.7
85.02922	12.5
87.00394	0.9
87.00889	4.1
89.02438	15.5
99.00858	1.6
101.02448	16.9
101.75715	0.9
104.66926	0.9
109.02940	1.2
113.02458	10.8
119.03455	1.4
129.01953	1.7
155.10793	1.6
159.03015	1.5
161.02483	1.5
161.04555	5.2
185.06120	1.1
193.85931	1.0
195.05128	1.5
198.11072	1.0
201.15002	8.7
229.13422	2.2
345.19293	8.1
363.20316	20.7
403.24033	1.3
405.21487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01381	1.1
72.99303	0.4
85.02952	1.9
107.05046	0.3
109.02969	0.3
115.71251	0.3
129.01959	0.8
129.07085	0.8
130.04303	0.3
133.03000	0.5
135.04517	1.5
141.07045	0.3
142.48160	0.3
143.05064	0.9
145.06659	0.2
147.02986	3.3
147.08226	0.4
157.06596	1.3
158.03743	0.5
159.04520	16.1
161.02466	1.2
171.04543	0.3
171.08083	0.4
172.05296	1.6
173.06087	4.3
175.07635	4.8
181.06635	0.4
181.93279	0.2
183.04520	1.2
185.06093	1.3
187.04103	0.2
187.07660	1.8
196.22768	0.2
197.06094	1.1
199.07664	3.7
200.04784	1.3
201.05605	15.2
215.07149	0.5
225.05603	3.2
228.04344	0.4
231.10228	0.4
234.68608	0.2
241.05042	0.2
243.06635	100.0
244.06950	1.4
275.09290	1.2
405.12158	1.3
405.25040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Oxyresveratrol 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.50009	0.2
59.01385	1.8
62.21873	0.1
67.32852	0.2
71.01386	0.3
71.44672	0.2
73.02954	0.2
107.05049	0.2
109.02971	0.3
121.02937	0.2
129.07133	0.3
131.05086	0.3
133.02898	0.6
135.04556	1.1
141.07112	0.3
143.05019	0.6
145.06598	0.3
155.05074	0.2
156.05832	0.3
157.06586	1.5
158.03700	0.3
159.04523	16.5
160.04913	0.2
161.02385	1.2
171.04547	0.2
171.08191	0.3
172.05319	1.3
173.06070	3.4
175.06201	0.3
175.07629	4.8
181.06554	0.8
183.04536	1.5
183.10223	0.4
185.06050	0.7
187.07663	0.3
197.06123	0.8
198.06807	0.3
199.04094	0.3
199.07664	3.7
200.04794	0.8
201.05591	15.0
215.07199	1.0
225.05608	3.2
228.04260	0.4
233.06578	0.1
241.05161	0.3
243.06630	100.0
244.07036	1.6
275.09149	0.2
335.41263	0.2
349.50928	0.2
405.11987	1.1
407.67136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1196
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.22653	0.2
59.01382	0.5
62.53918	0.2
72.99297	0.2
76.57373	0.2
85.02975	0.4
87.40557	0.2
92.10847	0.9
107.05062	0.5
109.02955	0.5
120.14492	0.3
133.02945	0.6
135.04523	1.3
142.21989	0.3
143.05046	1.1
147.02983	1.2
157.06621	1.7
158.03674	0.3
159.04532	16.8
161.02428	1.4
168.72859	0.3
172.05322	0.5
173.06081	4.2
175.07658	5.1
181.06590	0.6
183.04491	1.3
183.71487	0.3
185.06152	1.3
187.07605	0.5
197.06108	0.6
198.06949	0.5
199.03960	0.6
199.07684	3.5
200.04819	0.6
201.05608	16.0
202.06137	0.4
215.07182	1.2
225.05597	3.5
241.05043	0.5
243.06648	100.0
244.06898	0.6
275.09256	0.4
313.47827	0.3
319.21454	0.4
339.21552	0.3
405.11926	0.6
405.25357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.4
60.99311	17.4
60.99611	0.7
61.98848	3.0
71.01396	3.3
75.00884	0.7
78.95926	0.9
82.95379	0.6
84.06235	0.5
85.02989	0.9
88.98800	100.0
89.02449	3.6
90.49387	0.6
92.10740	1.3
96.96001	8.5
98.95599	0.8
99.92602	0.8
101.02434	0.8
103.92038	0.7
109.02972	3.2
109.49527	0.6
115.04043	0.9
119.03507	1.2
141.73251	0.7
149.02461	9.6
150.03236	16.6
150.34256	0.6
153.01935	5.1
164.04797	2.6
165.05565	18.6
175.29446	0.8
195.03102	0.8
207.50111	0.7
255.05034	0.7
315.07330	7.0
321.78809	0.7
323.13550	0.8
369.93994	0.8
387.07574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61699	0.2
59.01388	3.5
60.16557	0.2
71.01388	1.4
73.02947	1.0
78.95902	7.9
79.95737	1.9
87.00867	0.2
89.02430	1.8
92.10238	0.3
92.44421	0.2
96.96009	100.0
96.96921	14.9
98.10040	0.2
99.04528	0.2
101.02424	0.4
107.05042	0.3
113.02441	0.4
117.01933	1.7
117.23676	0.2
119.03489	0.4
119.05011	0.9
135.04503	0.3
147.04517	0.9
179.05606	1.1
241.64449	0.2
306.25568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Oxyresveratrol 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.35901	0.2
59.01385	2.0
71.01371	0.4
73.02940	0.4
75.00881	0.2
85.02965	0.2
87.00902	0.3
101.02461	0.3
107.05039	0.3
109.02962	0.9
113.02445	0.3
121.02952	0.3
125.92861	0.2
129.07050	0.4
131.05016	0.3
131.82481	0.2
133.02924	0.4
135.04495	1.3
141.07112	0.2
143.04988	1.0
145.06548	0.3
149.00903	0.2
155.04991	0.2
157.06592	1.2
157.08659	1.3
158.03714	0.7
159.04509	15.6
161.02457	1.4
171.04498	0.2
171.08107	0.6
172.05283	1.0
173.06082	3.7
175.07622	5.0
181.06561	1.3
183.04497	1.2
184.05301	0.3
185.06073	1.2
194.66975	0.2
197.06058	0.9
198.06837	0.7
199.07646	4.1
200.04846	0.9
201.05592	14.0
201.11412	0.2
210.58522	0.2
215.07152	0.7
225.05612	3.4
228.04475	0.3
229.08734	0.3
241.05095	0.7
243.06630	100.0
244.07039	1.5
312.05777	0.2
356.58609	0.2
405.12134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02039	1.6
53.34994	1.5
56.74504	1.5
59.01384	31.8
59.31742	1.5
60.11999	1.4
61.51728	1.4
63.76834	1.6
71.01387	21.0
72.97284	1.7
72.99294	1.7
73.02950	2.3
75.00868	3.5
83.01388	1.8
85.02956	10.0
87.00872	26.1
87.07246	1.6
88.21687	1.6
89.02440	2.7
96.95994	31.4
99.00896	1.9
101.02435	3.7
109.02947	2.2
113.02452	2.8
115.00363	53.5
121.49905	2.0
128.03580	2.0
135.04523	2.2
139.07567	2.1
143.85437	1.8
175.02481	100.0
175.03960	4.3
180.48883	2.1
193.05112	7.2
195.05167	4.3
229.08902	2.2
236.63541	1.9
318.24228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04258	0.4
59.01394	4.5
61.98851	1.7
64.75663	0.4
85.02986	0.6
90.17132	0.5
90.47373	0.5
91.35970	0.5
93.03465	10.9
117.03508	0.6
119.05030	61.0
124.47083	0.5
134.03738	3.0
141.03531	0.8
145.02951	0.7
157.02942	3.6
158.81650	0.6
161.02470	2.3
169.02956	2.8
173.02467	1.1
185.02463	13.5
187.04016	0.8
189.01984	3.0
197.00934	0.4
197.02457	4.3
201.01956	4.5
213.01979	14.6
214.02615	0.5
217.01393	0.5
229.01451	14.1
239.11513	0.6
241.01450	16.2
242.01981	0.9
243.02879	1.4
254.99338	0.5
255.02910	0.9
256.00153	2.1
257.00919	15.9
258.01660	0.8
259.02499	1.8
264.05902	0.5
271.02463	2.1
275.09280	1.9
283.02444	0.7
283.99734	0.9
285.00443	100.0
286.00909	0.6
299.01971	4.1
311.02017	14.0
377.06894	0.6
405.06232	75.0
406.06885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94989	0.8
54.56248	0.6
55.18330	0.7
57.43914	0.7
59.01385	0.8
59.58384	0.7
61.61530	0.7
61.98833	100.0
62.57154	0.6
64.65111	0.7
66.06291	0.7
67.29221	0.7
71.66822	0.6
88.34296	0.8
107.44827	0.7
263.16959	0.8
317.89709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82779	0.3
57.03446	0.4
58.00616	0.3
58.70017	0.3
59.01384	14.4
61.98831	3.5
71.01378	14.7
72.99315	1.4
73.02961	1.7
75.00879	1.9
76.57500	0.3
78.91888	0.5
83.01389	0.7
85.02946	2.2
87.00874	23.5
96.96028	0.7
99.00912	0.4
100.47696	0.3
101.02460	1.3
101.33616	0.3
109.02982	0.7
112.98815	0.7
113.02458	1.3
115.00375	53.8
118.59818	0.3
127.00358	0.6
129.01936	0.6
133.02924	0.4
135.03021	0.7
135.04504	0.4
137.02448	0.3
161.02489	0.4
163.04070	0.5
170.27925	0.3
175.02487	100.0
176.02795	0.5
180.03769	0.4
183.10345	2.2
193.05055	3.3
195.05099	0.6
207.06554	1.1
233.04518	1.9
251.05556	0.6
258.68518	0.4
288.37717	0.3
309.06235	0.4
342.09393	0.4
405.06055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52611	0.6
59.01371	0.7
61.98833	100.0
81.06789	0.5
95.53085	0.6
144.14059	0.7
279.35663	0.7
400.32526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24165	0.1
61.98835	100.0
69.35417	0.1
72.65561	0.2
73.80678	0.2
86.21155	0.2
134.74718	0.2
139.48302	0.2
151.91576	0.2
165.61272	0.2
174.13445	0.2
222.14499	0.2
248.67174	0.2
328.43649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24457	0.2
58.17783	0.2
58.75728	0.2
59.01370	0.2
60.90339	0.2
61.98832	100.0
63.15853	0.2
64.06750	0.2
192.87523	0.2
207.73665	0.2
259.10367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59722	0.9
58.18199	1.2
59.01372	1.1
61.98841	100.0
68.78959	1.2
82.42962	1.1
83.18073	1.0
84.61716	1.1
93.60880	1.2
100.70592	1.2
110.22263	1.0
110.62394	1.1
153.17311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82524	0.4
59.01384	100.0
60.54836	0.3
61.98845	0.3
133.99698	0.3
382.60898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98835	100.0
64.56002	0.3
71.01381	0.7
75.00941	0.3
85.06434	0.4
89.02461	0.5
133.02959	2.3
135.04530	20.8
161.02464	9.8
175.19487	0.4
177.05446	0.4
179.03514	22.9
195.05148	0.6
195.94467	0.4
196.72702	0.4
203.03578	3.2
221.04431	0.5
240.79086	0.4
341.08835	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66106	0.3
51.89481	0.3
52.30333	0.3
53.99175	0.3
59.01389	1.9
61.98833	100.0
63.37386	0.4
66.91012	0.3
71.01366	1.7
87.00882	2.6
88.79224	0.5
89.02422	0.8
101.02425	0.4
125.00996	0.5
246.29092	0.5
344.11755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
63.45177	3.8
72.99317	7.4
82.36872	3.4
83.80901	4.5
92.10136	16.5
97.06586	16.0
113.09299	4.3
122.06731	4.2
125.06084	79.7
129.00368	3.8
140.28035	3.7
143.07161	68.1
277.21762	100.0
372.43976	4.3
399.32706	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53073	66.7
64.05871	83.1
66.67147	87.2
78.00790	87.1
114.39630	91.3
265.18430	83.9
421.51636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01880	9.6
57.03449	5.3
59.01385	46.0
59.84637	0.8
69.03431	1.2
71.01381	36.9
72.48406	0.8
72.99297	1.4
73.02951	10.8
75.00900	1.1
83.01396	10.6
83.16790	0.9
85.02955	27.0
85.03467	1.4
87.00903	1.9
89.02438	6.4
95.01423	1.8
99.00876	4.9
99.81141	0.9
101.02444	28.6
111.00881	1.9
113.02465	14.2
119.03535	2.0
142.06612	1.1
161.04582	3.8
187.05995	1.1
234.63869	1.0
238.69978	1.0
329.77634	0.9
403.19785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	100.0
61.98820	53.5
68.73440	43.5
71.93472	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1768
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
54.39014	1.9
58.61778	2.2
59.01392	10.1
61.98841	4.3
70.69535	2.2
82.96017	2.3
91.44995	2.1
108.02223	3.9
109.02957	22.1
121.02945	3.8
122.03796	3.8
122.14876	2.2
134.03735	2.8
137.02420	2.9
142.41745	2.5
145.02994	3.1
146.03799	4.5
159.04510	4.8
161.13373	3.3
172.05318	10.7
174.03203	3.9
175.04022	3.1
176.04774	3.6
187.03999	13.5
187.07637	12.9
197.06122	4.0
200.04819	5.5
200.08414	2.8
201.05547	4.4
202.02803	3.8
205.12390	31.3
211.07625	3.0
215.07219	11.5
249.11409	4.7
280.13812	2.5
281.14063	2.5
301.98590	3.3
309.14999	5.9
311.16888	2.8
325.14688	4.2
344.16235	4.8
353.13989	3.7
359.18423	2.8
371.15067	11.3
385.16653	16.5
403.17697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51007	0.4
59.74256	0.4
61.98834	100.0
62.22245	0.4
163.11287	8.9
339.23422	5.6
352.28955	0.5
352.81116	0.5
388.00665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49172	0.5
53.12098	0.5
54.82262	0.6
59.01395	3.0
61.98836	2.3
71.15093	0.5
76.22787	0.5
78.95898	6.2
79.95752	2.5
80.14191	0.6
85.02964	2.3
88.98788	1.2
92.10374	0.6
95.05008	0.6
96.96001	100.0
96.96912	10.2
98.95616	1.1
99.04480	0.6
101.02438	2.2
105.03477	1.2
107.05034	1.4
107.72771	0.6
109.02959	0.6
111.00883	3.5
121.02927	1.1
121.64348	0.6
123.04522	2.8
129.01920	4.6
149.02454	2.8
152.01131	1.0
153.01949	5.6
181.05147	0.9
195.02950	0.9
205.41634	0.5
225.03970	4.8
255.05157	1.1
296.93466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97818	0.3
59.01385	1.1
61.98832	100.0
69.06850	0.2
69.91913	0.2
77.09319	0.3
106.41394	0.3
119.05017	1.4
123.04546	0.4
187.03993	0.3
187.07857	0.3
216.07747	0.3
228.81816	0.3
295.09772	4.1
339.12488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01723	0.4
66.04309	0.3
68.01430	0.5
71.01398	0.7
89.02462	0.8
92.65347	0.3
101.02431	0.7
123.03246	2.1
138.05609	42.9
167.05925	0.4
179.30243	0.4
180.06635	2.7
282.09885	0.4
300.10721	0.5
342.11975	12.9
401.17981	0.5
402.18512	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	401.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46468	1.4
52.66734	1.6
59.01387	100.0
61.98822	2.4
67.01589	1.9
75.90473	1.9
78.47967	1.6
79.96751	2.0
80.45801	1.6
86.17263	1.7
89.02464	4.1
92.10869	3.9
96.06217	2.2
109.77029	2.0
121.02988	13.1
128.12108	2.5
254.45732	2.3
272.19760	2.1
341.11075	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	402.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83116	0.9
59.01380	3.4
61.98834	100.0
64.46964	0.8
66.44600	0.9
68.99815	0.9
71.01379	1.3
89.02451	1.4
96.96001	4.3
102.45972	0.8
105.03451	1.5
105.85318	0.9
112.08047	0.7
133.02986	5.9
135.04399	1.1
177.01942	96.7
191.90741	1.0
203.23407	1.0
332.60730	1.0
339.07315	12.7
341.10757	1.1
342.11185	1.5
353.49017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	91.1
71.01399	64.5
72.03723	14.2
89.02475	78.2
96.39951	18.4
97.12206	13.7
106.95207	15.9
110.52409	14.7
113.02465	23.0
121.02952	100.0
128.56216	16.8
131.02464	17.6
143.72839	16.4
148.19135	16.3
163.64807	17.4
204.15309	16.1
332.60269	18.4
341.10855	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	401.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98842	5.1
66.63226	1.1
68.18712	1.1
71.01399	2.1
77.57700	1.3
83.04990	1.5
89.02452	2.5
94.41675	1.4
110.70061	1.3
121.02942	13.5
283.17059	5.6
290.16824	1.8
305.18954	2.0
308.37183	1.3
323.20203	6.8
341.11002	6.8
341.21191	2.1
401.08517	1.7
402.39954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.08616	0.4
71.01403	1.8
89.02452	2.0
115.41265	0.4
135.04523	0.7
146.03745	33.6
147.04518	1.7
161.04782	0.7
161.06090	9.8
163.04060	0.6
164.04787	21.3
165.05313	0.4
179.07141	50.8
240.52238	0.4
276.99069	0.4
315.39661	0.4
341.10843	0.8
362.34985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95491	0.6
55.01896	3.7
57.03463	4.1
58.00621	2.9
59.01383	100.0
62.42876	0.6
71.01379	58.8
72.99321	1.5
73.02949	6.5
74.91674	0.7
83.01393	7.6
83.06055	0.7
85.02948	19.8
85.03446	0.7
87.00891	1.7
89.02438	53.5
95.01407	3.9
99.00880	1.5
101.02432	30.9
108.55170	0.7
111.05933	0.8
113.02444	25.2
119.03500	20.2
143.03506	3.3
149.04608	1.2
151.11259	1.1
159.03091	1.0
161.04538	10.3
177.12885	3.3
179.05643	8.8
195.13928	1.0
341.10895	4.2
357.19257	13.7
401.18158	14.4
401.22803	0.9
409.79376	0.8
418.36682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46392	0.5
55.01888	0.9
57.03456	1.5
58.00605	2.8
59.01383	100.0
63.07317	0.6
68.71512	0.5
71.01379	59.7
72.99304	3.1
73.02953	1.5
83.01404	2.4
85.02952	12.7
86.89761	0.6
87.00887	3.5
89.02437	82.5
95.01381	4.2
101.02435	29.4
113.02445	23.4
113.03225	0.9
119.03498	25.7
119.04315	1.2
125.02512	0.7
126.34151	0.6
131.03493	2.6
143.03513	3.9
149.04539	1.3
161.04593	6.8
179.05612	23.6
191.05586	13.6
313.26852	0.7
341.10916	96.3
342.11383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10360	0.4
55.55743	0.4
55.56003	0.3
59.01385	100.0
62.12628	0.4
65.70073	0.4
71.01389	2.4
81.86129	0.4
82.83923	0.4
88.32913	0.4
89.02444	2.3
101.02449	0.6
103.51222	0.4
113.02496	0.7
119.03438	0.6
134.15610	0.4
135.04510	1.7
146.02586	1.1
146.03748	31.5
147.04431	0.7
149.06058	0.4
161.06093	9.2
163.03999	0.5
164.04816	21.7
179.07146	50.8
181.04993	0.8
203.03319	0.5
274.60211	0.5
341.10919	3.0
401.11044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50927	62.7
53.00724	68.9
54.86688	74.7
58.79060	81.3
88.46169	82.5
122.86890	80.4
161.37885	89.1
193.01155	100.0
238.16553	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82546	0.7
56.60599	0.6
59.01392	22.2
59.79810	0.6
61.98831	6.8
62.63594	0.5
65.03983	0.7
67.01904	1.1
68.99868	0.8
71.00553	0.6
71.01384	11.6
72.62742	0.7
73.02946	9.8
81.03454	0.8
83.01395	2.9
85.02967	2.6
89.02444	8.2
91.53552	0.7
96.95989	2.8
97.02975	1.4
99.04560	1.3
101.02428	7.5
108.02210	4.9
109.02955	93.0
111.04562	1.5
112.48697	0.8
113.02450	5.5
113.12048	0.7
114.38815	0.7
119.03516	3.0
121.02991	1.3
123.04523	3.4
124.01730	1.3
125.02428	1.3
133.02965	5.5
135.04533	1.2
137.02438	2.8
139.04008	4.9
149.02472	5.6
151.03979	1.2
152.01143	1.0
153.01944	100.0
154.02280	1.0
161.02406	1.0
163.04059	1.0
164.04790	1.0
165.01959	1.1
167.03494	19.3
170.47070	0.8
177.01945	31.0
177.03487	1.2
179.03407	1.2
179.05644	1.7
179.07112	0.9
195.03001	15.8
237.04053	3.7
283.85950	0.8
297.06189	1.2
341.10916	10.1
357.08316	21.3
371.81238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09362	0.3
59.01382	1.2
61.73759	0.3
61.98836	100.0
71.01376	0.3
78.77824	0.3
86.20142	0.3
87.00880	0.5
92.10027	0.3
99.00871	1.4
115.00390	1.7
135.04523	0.4
139.00357	0.3
148.58708	0.3
149.06053	2.8
157.01448	0.3
159.02899	0.4
161.02405	2.8
165.05531	0.3
175.02478	1.5
175.03943	0.5
177.01981	2.7
206.02150	0.4
219.02919	0.4
233.04587	2.7
237.04141	0.7
277.03653	5.5
319.04645	2.3
337.05801	2.5
400.05264	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	400.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82288	0.5
59.01385	28.0
71.01379	11.7
71.01729	0.6
72.81821	0.4
72.99332	2.4
75.00870	2.3
82.16959	0.4
83.01406	0.6
83.26896	0.5
85.02972	2.8
86.69141	0.5
89.02431	8.2
95.01372	0.8
101.02410	4.0
113.02458	3.0
119.03500	1.9
140.05051	19.9
147.18317	0.5
150.01167	6.8
156.04620	0.6
162.01208	0.5
164.02678	0.6
176.02728	100.0
177.03059	0.9
192.02234	12.9
194.03766	0.6
217.60875	0.5
220.01724	49.1
238.02765	21.0
240.67114	0.5
280.03854	1.9
286.89133	0.5
318.07428	0.5
400.08078	58.0
401.08359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13084	1.4
59.01382	2.6
60.99313	20.4
75.15646	1.5
88.98801	100.0
89.02451	10.3
128.17690	1.5
309.20834	2.8
310.20520	1.9
340.20828	1.6
363.12823	1.8
370.64084	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98848	1.5
70.55247	0.7
71.01394	0.9
75.50954	0.7
76.18397	0.9
77.96684	0.7
80.21103	0.8
92.10777	0.7
115.64709	0.8
125.09727	1.9
127.07615	2.6
139.07629	1.5
171.74942	0.7
252.13701	1.6
267.73279	0.9
355.16742	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	399.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27700	65.3
57.06572	66.9
87.26023	100.0
132.27280	80.1
141.26376	81.1
213.96864	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93045	0.7
54.11985	0.8
55.01890	8.1
55.41373	0.8
57.03462	4.5
58.00610	1.3
58.75643	0.7
59.01380	70.9
66.77533	0.9
71.01377	55.7
72.99323	1.7
73.02940	20.0
83.01389	12.2
85.02947	32.8
87.00893	4.5
89.02435	20.6
89.06086	1.3
92.10165	1.8
95.01402	4.9
97.02945	1.0
99.00870	8.6
101.02438	60.6
109.02988	1.7
111.00885	1.3
113.02454	30.8
119.03440	6.6
121.02950	21.2
121.86154	0.9
129.01947	1.2
143.03493	1.8
153.01956	3.8
159.03008	4.3
161.04562	30.2
179.05605	1.0
196.61623	1.0
230.43103	1.0
251.11372	100.0
252.11856	1.2
270.46561	1.2
283.86392	1.1
298.59235	0.9
324.60693	1.2
399.12933	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52780	0.9
55.01880	3.1
57.03445	2.0
58.00590	1.7
59.01383	43.2
59.24948	1.0
60.26472	1.0
62.21416	1.2
67.01897	1.5
69.03458	1.2
71.01379	44.4
71.05018	5.0
72.99325	1.6
73.02945	14.0
77.31292	1.1
83.01408	7.5
83.05040	2.0
85.02953	28.6
86.63865	1.1
87.00879	2.3
89.02435	14.5
92.10892	1.2
95.01391	6.9
99.00874	6.5
101.02441	31.9
101.06077	7.9
107.01410	2.7
109.02960	20.8
112.01703	1.9
113.02457	19.0
113.06107	4.7
119.03571	2.0
119.05024	47.4
123.00886	2.8
124.90116	1.3
125.02444	6.1
131.07143	28.5
135.00870	7.2
152.01161	4.6
153.01955	24.6
159.03113	1.5
161.02460	1.8
161.04562	24.4
161.08211	14.8
163.04027	21.9
196.37682	1.3
205.05101	1.7
251.11398	54.6
339.10876	5.2
391.58997	1.6
399.13000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34279	0.7
53.36507	0.7
55.01879	8.4
57.03458	6.2
58.00617	1.1
59.01382	53.9
71.01379	52.6
71.01772	1.5
72.99322	1.5
73.02938	21.9
73.03294	1.2
75.00874	1.3
77.36996	0.9
82.36554	0.8
83.01390	10.2
85.02943	33.6
86.00140	0.8
87.00893	3.5
89.02459	5.4
89.06091	1.7
90.65409	0.8
95.01408	5.1
99.00871	8.5
101.02439	61.6
113.02457	21.7
121.02945	13.1
129.01863	0.9
141.63928	0.7
143.03488	2.0
159.03004	5.4
161.04556	33.0
251.11380	100.0
263.05911	0.9
324.38547	1.0
399.12900	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23907	0.4
53.25662	0.4
55.01887	1.8
55.28492	0.4
57.03452	0.6
58.00601	0.6
59.01109	0.8
59.01382	15.0
59.01656	0.8
61.98825	1.7
71.01376	11.5
71.05016	2.3
72.99294	0.8
73.02943	3.6
73.06596	0.5
81.03455	3.1
82.35329	0.4
83.01380	3.6
83.05038	2.5
85.02949	7.4
87.00853	1.6
89.02426	3.5
91.01897	1.1
93.03458	0.4
95.01358	3.2
97.02947	0.5
99.00858	0.5
101.02429	9.0
101.06081	3.4
105.01916	0.6
107.01377	2.4
108.02189	2.0
109.02951	46.6
111.00885	3.9
113.02444	4.8
114.86665	0.4
118.36903	0.4
119.03487	0.6
123.00867	4.1
124.01637	3.4
125.02431	2.7
129.01859	0.5
133.02963	0.8
135.00858	3.6
135.04503	3.3
136.04918	0.6
137.02443	1.0
139.00291	0.5
151.00298	0.6
152.01155	6.1
153.01939	59.3
161.02426	2.6
163.03995	0.8
165.05606	0.7
179.03506	1.1
195.02977	4.4
205.08708	0.5
229.30019	0.4
232.06726	0.5
255.05182	3.7
336.08148	0.6
362.20844	0.5
364.08414	0.5
390.93253	0.4
399.13013	100.0
400.13370	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	399.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77640	0.2
54.64372	0.2
59.01374	1.0
64.34324	0.2
71.01400	0.2
78.87823	0.2
78.95901	9.8
79.95717	2.0
82.95436	0.4
85.02982	0.2
88.98817	0.4
89.02394	0.2
93.95744	0.2
96.96005	100.0
96.96918	13.7
98.95584	0.2
113.02424	0.3
119.71022	0.2
137.64842	0.2
139.04010	3.8
171.82191	0.2
180.60410	0.2
248.21231	0.2
301.09338	1.0
306.73074	0.2
330.02750	0.2
330.06598	0.2
342.83203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
61.98844	1.0
63.14196	0.5
71.01409	0.6
75.00909	0.6
77.03990	3.0
85.02952	0.8
89.03996	1.0
90.23176	0.5
93.03488	2.7
95.05029	7.2
96.96037	1.2
97.97549	0.5
105.03467	23.0
115.78917	0.5
117.03484	0.7
119.05023	2.8
121.02950	1.2
123.04520	12.2
130.64738	0.5
133.02959	100.0
134.03366	0.6
135.04524	2.9
139.04027	2.8
145.02942	0.7
147.04550	3.5
149.02448	4.8
150.03227	0.7
151.04047	2.9
161.02438	7.6
175.04027	2.5
177.01938	32.5
177.05618	1.0
179.03529	1.1
187.04099	0.5
195.03011	0.9
195.05116	0.8
219.02977	0.6
231.03148	0.5
279.05106	2.3
300.01068	0.6
339.07056	1.0
341.08725	0.8
393.72360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82616	1.0
59.01385	1.1
61.98835	100.0
73.33897	0.9
76.20524	0.9
83.82813	0.9
87.54987	0.9
127.44265	1.1
148.07121	1.0
154.32689	0.9
230.85803	1.2
232.97552	1.0
316.54938	1.2
332.51938	1.0
390.89581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91500	0.8
59.01383	1.2
61.98842	100.0
65.62214	0.9
87.20103	0.9
92.64861	1.0
103.38553	0.9
129.91803	1.1
149.09323	1.0
176.82581	1.1
213.76724	1.1
240.45164	1.0
359.82257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40627	0.6
58.30683	0.6
59.01391	4.9
60.04907	0.7
67.65006	0.7
71.01376	1.0
73.02947	0.9
83.79996	0.7
101.41724	0.8
106.06634	100.0
107.06973	1.0
108.08221	6.0
131.03781	1.5
150.05612	38.6
164.07191	8.6
172.95540	0.8
192.06702	4.1
193.12436	1.0
194.04593	14.9
194.12476	1.0
313.43823	1.0
353.17249	1.1
398.10873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66575	0.3
59.01385	3.5
61.98826	0.6
63.52184	0.3
71.01379	0.9
73.02938	0.9
84.07380	0.4
85.02963	0.4
90.90012	0.3
92.65263	0.5
104.05060	0.9
106.06625	100.0
113.02472	0.5
114.56178	0.4
118.06630	3.8
134.06142	0.6
138.34175	0.4
146.06102	0.8
150.05611	51.1
151.17941	0.5
164.07188	9.6
186.49551	0.5
192.06668	6.2
194.04614	5.1
236.05626	0.5
338.08841	0.5
398.10892	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	398.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67008	0.4
60.21167	0.3
61.98835	100.0
63.03519	0.4
66.77792	0.3
86.86482	0.4
115.66766	0.4
157.90059	0.4
165.97371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31903	1.1
59.01391	100.0
59.97791	1.0
71.01390	6.0
71.36702	1.2
80.56333	1.5
85.02957	2.8
94.83607	1.2
101.02492	2.1
161.04529	1.6
216.06816	1.3
259.90472	1.4
293.55731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46447	0.7
55.26901	0.6
59.01394	1.1
61.98832	80.6
68.94156	0.6
71.01399	1.1
73.02978	1.6
83.05018	0.9
85.02975	4.0
87.00854	7.5
89.03974	0.8
93.03450	11.2
105.03944	0.9
109.02973	1.1
111.04540	3.8
113.02442	7.2
133.02957	11.0
134.03741	3.9
135.04521	100.0
137.02415	5.1
161.02437	35.4
179.03493	81.1
242.05864	0.9
243.06560	3.0
271.09802	0.9
323.07709	1.9
335.07761	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56609	1.3
55.89883	1.4
57.28734	1.5
57.69033	1.4
59.01381	52.4
59.01653	2.4
61.64482	1.3
71.01383	17.9
72.99313	1.8
73.02962	1.6
75.00869	1.7
83.01373	3.0
85.02937	13.4
85.06576	13.9
87.00886	3.2
88.98827	3.4
89.02439	17.0
96.95980	2.4
99.00876	2.5
101.02454	9.1
101.06110	7.5
107.90930	1.5
109.02950	7.7
113.02439	11.5
113.06079	17.5
115.00358	3.8
115.07648	15.3
119.03493	8.2
119.05019	3.5
121.02975	3.0
121.06572	2.1
126.13452	1.6
129.05566	9.1
129.09258	3.0
131.07132	33.6
132.04446	2.1
133.02959	2.0
135.04518	7.8
147.04550	2.9
148.05319	1.9
149.00867	2.8
149.06087	32.4
150.05579	1.8
161.02464	15.8
161.04468	1.8
163.03989	2.5
165.05528	1.7
173.08179	2.2
175.02560	3.2
175.04019	7.5
175.08231	3.4
175.09755	100.0
177.02042	2.4
177.04024	1.6
179.05592	7.3
185.08208	2.0
193.05048	2.8
194.04573	2.4
195.04924	1.6
205.05096	2.8
206.02222	1.7
219.02995	6.0
233.04514	2.2
237.04097	8.9
277.03485	2.2
293.06857	2.3
308.93878	1.6
337.05579	10.4
337.18671	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06362	36.2
59.01403	56.0
61.98821	47.0
92.10867	100.0
114.08395	46.0
128.72726	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	397.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02224	0.9
51.73857	0.9
54.82943	1.0
57.03455	1.0
59.01390	11.7
63.14861	0.9
69.27054	0.9
71.01383	5.0
73.02948	1.5
85.02969	1.8
92.10186	2.0
94.74556	1.4
100.53416	1.1
101.02443	5.0
116.90392	1.2
119.93146	1.0
120.99628	1.3
122.34995	1.1
132.02161	2.2
133.02957	40.9
134.03656	1.2
135.04475	8.4
137.02522	1.2
147.95375	1.0
150.77309	1.1
161.02443	100.0
179.03519	1.5
205.73607	1.3
283.77560	1.4
397.15030	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01382	3.3
62.48532	0.2
71.01382	1.5
71.06284	0.2
73.02955	1.3
83.01392	0.5
85.02937	1.4
99.00880	0.2
101.02442	2.6
105.03487	0.7
113.02470	0.3
115.01900	0.2
117.03512	0.8
122.57021	0.2
132.02173	2.1
133.02959	38.6
134.03757	0.9
135.04529	8.0
137.02379	0.3
161.02454	100.0
162.02792	0.4
170.33388	0.2
179.03523	2.7
229.73167	0.2
230.48640	0.2
235.11946	0.4
397.15079	35.6
398.15445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20153	0.5
56.79204	0.6
59.01388	1.7
61.98837	100.0
74.50495	0.7
83.98629	0.6
85.58246	0.6
153.15892	0.7
168.15192	0.7
171.10173	0.9
257.37216	0.7
303.24619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.66085	0.3
61.98832	100.0
67.14436	0.4
71.27698	0.3
86.46616	0.3
86.77457	0.4
162.73714	0.3
231.65550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82466	0.4
56.05207	0.3
59.01391	0.4
59.60691	0.3
61.98841	100.0
78.95923	0.3
90.09351	0.3
98.30186	0.3
169.25856	0.3
173.09259	0.3
189.68170	0.3
349.15497	0.3
360.97443	0.3
383.75311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2592
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03452	31.2
59.01371	1.2
61.98830	2.5
84.91530	1.1
116.92866	1.9
163.11285	100.0
166.15018	1.3
219.13925	30.8
337.22110	2.1
395.25970	64.3
395.31299	2.2
396.26202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82774	0.5
59.77059	0.5
61.98833	100.0
76.10682	0.5
82.57957	0.5
99.15677	0.5
106.34721	0.6
137.04622	0.6
139.11813	0.6
186.24164	0.6
217.00218	0.6
237.77242	0.7
264.58267	0.6
279.68906	0.6
323.20755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43087	1.2
55.03874	1.2
57.03446	2.3
59.01389	56.6
61.17394	1.4
61.98848	2.1
68.86095	1.3
69.03476	2.8
71.01395	14.6
71.05045	3.0
72.99325	2.2
73.02952	11.3
74.16831	1.2
75.00878	12.5
78.91873	2.9
83.01400	6.2
85.02943	12.7
87.00898	8.9
88.98824	2.7
89.02449	9.2
92.10603	2.0
95.01387	1.6
96.96012	18.4
98.95630	3.0
99.00867	1.9
99.04543	10.1
101.02439	18.4
109.02987	5.4
111.04514	6.9
113.02458	94.0
113.03255	3.0
116.27452	1.3
116.92838	3.2
118.98112	1.7
119.03467	1.7
119.61089	1.2
125.02380	1.8
129.01929	6.5
129.05637	1.7
135.04485	6.5
161.02499	2.0
161.04657	2.9
173.04556	100.0
179.03477	2.5
195.05104	20.2
203.03610	1.4
215.05606	2.0
216.99147	2.2
227.05731	1.4
245.06674	1.4
325.62485	1.4
357.08362	1.5
412.93774	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	395.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17849	46.5
51.09039	45.8
61.98860	100.0
80.22096	61.2
81.49027	47.1
84.68997	52.3
92.38673	53.7
92.54880	50.1
108.92210	55.4
116.92912	59.6
121.83328	50.9
131.75630	53.2
137.66618	51.9
236.02980	69.7
313.18893	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03490	3.9
59.01385	100.0
71.01373	34.0
72.99315	8.3
73.02956	26.7
75.00883	18.7
78.91885	7.7
80.91683	6.5
81.60486	4.3
83.01393	9.5
84.94347	4.2
85.02954	24.6
86.02015	4.6
87.00877	21.0
88.98819	18.7
89.02447	8.2
96.96004	47.1
98.95619	6.5
99.00864	5.6
99.04530	5.3
101.02449	25.1
109.02939	37.4
111.00829	5.3
111.04523	7.9
113.02454	93.5
116.92901	7.5
122.14278	4.5
127.08401	4.4
129.01906	5.4
130.29004	4.1
135.03006	5.1
135.04521	19.6
153.01967	10.0
159.06332	4.8
161.02391	5.4
161.04555	6.5
173.04538	81.5
174.33014	4.8
179.03423	6.9
179.56857	4.1
189.07378	4.3
189.92461	4.7
191.95320	4.6
195.05101	36.2
216.99168	7.2
282.69730	4.8
313.05930	33.1
327.07938	5.0
395.03949	6.7
395.11288	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	395.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26358	0.8
55.01902	1.2
58.00619	1.1
58.22369	0.9
59.01384	100.0
60.77927	1.0
68.84120	1.0
69.03468	1.2
71.01381	41.4
72.99326	2.6
73.02944	87.7
81.03445	1.1
81.48349	1.0
83.01379	15.7
85.02975	5.5
89.12195	1.0
95.01388	1.3
99.53615	1.1
101.02444	29.6
113.02451	6.0
115.05540	10.1
117.03490	2.3
125.02450	4.3
131.03461	1.2
131.05031	19.2
133.06593	19.1
145.06516	1.2
147.04538	61.1
155.03543	2.3
161.06093	45.1
176.81023	1.1
189.05569	24.7
250.60361	1.2
386.25546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48351	0.6
51.24872	0.5
53.54266	0.5
56.08844	0.5
59.01384	100.0
60.25306	0.7
63.32088	0.6
85.25975	0.7
92.10735	1.2
96.96016	1.2
159.04512	1.0
193.92802	0.8
213.05605	0.9
241.05064	3.2
243.06660	5.4
359.53525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	19.2
73.86740	20.2
85.62381	20.5
142.83215	21.7
144.00540	27.8
164.67921	22.4
273.20389	22.2
333.24335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98640	76.4
66.03040	69.7
87.27880	84.2
87.56206	82.6
117.03453	74.4
120.13634	82.5
122.33270	87.9
138.87776	79.0
199.80769	86.2
208.25436	77.7
240.43617	87.3
359.03363	100.0
367.68622	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67511	0.4
51.34528	0.4
51.52090	0.4
52.53120	0.4
53.96497	0.5
55.01888	3.6
57.03463	1.3
59.01383	14.7
67.01885	0.8
70.81003	0.4
71.01378	11.2
73.02945	7.2
78.95939	0.7
79.38966	0.5
80.31503	0.5
80.42729	0.4
81.03469	2.7
82.49580	0.6
83.01388	4.8
85.02940	7.7
87.00891	1.1
91.01899	0.7
95.01398	3.3
96.34186	0.5
96.96006	1.2
96.99257	0.6
97.02950	0.6
99.00895	1.1
101.02446	12.7
105.01942	0.8
107.01414	3.2
108.02174	1.2
109.02953	42.5
111.00884	3.8
113.02441	3.7
123.00842	4.2
124.01676	3.5
125.02436	3.3
134.88940	0.5
135.00885	3.2
135.04517	0.9
137.02429	0.9
137.48763	0.5
152.01169	3.9
153.01942	52.5
161.04562	3.0
163.04073	0.7
173.11792	1.0
174.75356	0.6
207.03058	0.6
259.08163	0.9
285.62250	0.6
395.09866	100.0
396.09933	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	393.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19451	1.1
52.56783	1.2
55.01888	1.6
57.66030	1.2
58.55556	1.2
59.01385	33.3
59.01653	1.7
60.01716	1.9
60.61287	1.2
62.54675	1.2
68.20744	1.2
71.01392	2.4
72.99290	2.0
73.02934	11.0
87.00875	37.8
89.99501	1.4
92.10093	1.4
96.96017	3.1
97.06609	6.0
102.73708	1.3
105.03477	6.3
109.02965	5.7
115.12367	1.3
117.01939	34.3
132.02176	3.2
133.02962	42.1
134.03741	100.0
135.03006	2.5
135.04489	7.0
137.02486	11.2
139.53519	1.4
150.03241	2.0
153.01947	1.8
154.19789	1.5
159.04546	2.1
160.01701	7.2
161.02429	2.1
161.06100	22.8
163.04007	6.4
177.01912	19.6
178.02731	22.4
187.17937	1.4
189.05597	2.8
275.09305	68.5
283.13443	2.0
296.05426	1.8
313.60266	2.6
328.98129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87944	0.5
57.03434	0.4
59.01383	17.1
62.45782	0.6
62.54941	0.5
71.01387	3.5
72.99305	6.5
73.02951	0.6
74.99104	0.7
75.00867	47.8
78.95949	0.5
82.01293	0.6
82.48458	0.6
83.01378	0.7
85.02970	1.2
87.00884	3.0
89.02451	5.5
92.10818	1.1
99.00915	0.5
99.08105	0.8
101.02466	2.1
105.29267	0.5
109.02941	0.9
111.80585	0.7
117.01938	4.4
118.97341	0.6
118.98083	4.4
133.02971	0.8
135.02998	100.0
135.04639	2.5
138.12349	0.5
145.08731	2.9
148.04048	0.6
150.74011	0.6
159.04526	1.1
161.04800	1.3
163.55736	0.5
172.05290	5.1
173.06108	1.1
175.05148	1.0
183.04494	0.8
187.04100	0.6
187.07663	27.8
199.04039	2.6
201.05588	0.8
202.06369	2.6
204.04289	0.9
211.07668	0.7
213.09293	3.5
215.07159	5.3
227.03519	3.3
228.04373	1.1
229.08731	0.9
231.06447	0.8
231.10318	4.9
231.12312	1.0
231.16124	0.5
244.10016	0.8
248.62238	0.6
257.08209	15.9
258.01526	0.9
275.09296	3.3
393.21237	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	393.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
65.03934	0.6
71.01411	1.0
73.71681	0.7
81.03468	2.4
85.03002	0.7
92.10218	0.7
96.96011	5.3
107.05058	1.3
108.02190	6.5
109.02955	22.0
123.04533	0.7
132.15271	0.6
133.02933	1.0
134.03745	33.7
135.04526	100.0
136.01663	10.2
136.05003	0.8
137.02431	14.3
146.03738	9.2
147.04529	0.6
149.06076	19.6
150.03214	4.2
151.02916	1.0
151.03979	7.1
152.03961	0.6
161.06090	7.1
162.03241	2.6
163.03978	2.5
164.04784	6.3
165.05533	3.4
166.97968	0.7
177.05566	3.4
179.03482	1.0
179.05667	1.3
179.07133	25.2
189.05544	4.6
191.03522	2.9
195.02861	0.7
211.06163	0.6
229.67850	0.7
239.64677	0.7
251.05582	4.4
283.09793	5.9
295.09683	2.6
313.10809	8.8
347.24295	0.8
375.10825	0.9
393.12000	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	393.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.2
61.98830	1.6
71.01378	3.4
75.00871	1.3
81.03430	1.1
87.00850	0.8
89.02431	1.1
96.96003	17.8
96.96995	0.9
98.95599	2.8
101.02446	0.9
107.05022	1.6
108.02184	5.4
109.02957	18.3
116.92866	1.3
119.05012	1.5
120.77437	0.7
121.02940	1.0
123.04500	1.4
129.05528	0.8
133.01375	1.1
134.03745	31.1
135.04535	100.0
136.01685	9.2
137.01559	0.9
137.02460	12.8
146.03705	8.6
149.02370	0.8
149.06088	16.0
150.03185	4.2
151.04019	6.8
161.06088	6.7
162.03181	3.2
163.03926	1.0
164.04764	4.7
165.05563	1.6
171.10294	0.9
177.04059	1.2
177.05563	4.0
179.03502	7.0
179.07117	19.8
189.05548	3.5
191.03505	1.1
195.03059	1.1
195.05023	1.3
207.02972	2.7
251.05597	1.7
271.09738	1.6
283.09778	5.8
295.09750	3.2
313.10895	8.6
314.69028	0.8
357.08438	3.6
388.29062	0.8
393.11847	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	393.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41414	0.3
54.52348	0.3
55.01877	0.5
57.03451	2.4
59.01384	5.0
64.71634	0.3
68.99580	0.4
69.59437	0.4
71.01388	0.5
71.73333	0.3
73.02944	68.5
78.95927	3.0
78.96330	0.3
79.95728	0.4
82.53909	0.4
89.02441	0.5
96.96012	51.4
96.96903	3.0
99.00887	8.1
99.04531	2.3
101.02457	1.7
107.41388	0.5
113.02459	0.5
116.92874	5.9
117.01945	100.0
125.02491	0.4
142.68520	0.4
151.06123	1.7
161.04579	1.5
163.03987	0.5
197.08224	0.5
208.24521	0.4
245.07327	0.4
246.90906	0.4
295.10370	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	393.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73642	0.2
57.03454	4.5
59.01389	6.0
60.56499	0.3
68.99563	0.3
70.82832	0.3
71.01385	0.5
73.02947	13.1
78.61472	0.3
78.95911	3.9
79.95746	1.3
90.85069	0.3
90.97448	0.3
92.10137	0.4
96.96010	100.0
96.96898	4.8
99.00871	1.7
99.04514	5.9
101.02448	1.8
113.36388	0.2
116.92853	1.2
117.01938	18.8
119.05035	0.6
125.02456	2.3
133.05055	0.6
137.56386	0.3
143.03458	0.3
149.00879	0.4
151.06128	3.0
157.03482	0.3
161.04536	2.6
163.03995	1.1
193.07155	1.0
295.10370	7.5
360.42145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99597	1.6
59.01385	14.2
61.98835	37.7
62.23330	1.5
75.45274	1.6
87.00900	2.4
90.22188	1.4
91.00200	1.5
95.58603	1.5
96.96013	100.0
97.72636	1.6
101.02444	2.0
112.98530	1.5
119.05007	12.4
127.07681	1.9
135.04536	6.4
145.02933	2.2
149.00969	3.4
150.03241	17.1
151.04010	2.2
163.03990	11.3
165.05608	13.7
171.06659	2.7
180.04292	2.9
188.07188	3.4
195.06635	23.2
241.67947	1.6
257.09265	7.0
270.53802	1.7
301.08408	20.8
304.83469	1.6
306.06384	1.8
364.07635	1.6
393.09644	3.8
404.15045	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	393.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34299	0.2
59.01375	1.1
59.45771	0.2
62.95052	0.2
64.34166	0.2
75.08234	0.2
78.95908	0.4
79.95726	2.7
84.31238	0.2
87.00858	1.7
96.96003	100.0
97.95979	0.3
102.27699	0.2
103.00314	0.3
112.98807	1.3
119.05016	11.7
133.35709	0.2
133.93799	0.3
149.00920	2.0
163.04010	17.3
184.98642	0.2
295.04611	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	393.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53847	0.2
54.83067	0.2
58.06936	0.2
59.01383	2.8
61.98830	0.4
67.57515	0.2
71.01388	0.3
72.99305	0.4
75.00863	0.2
75.36292	0.2
79.95715	1.6
83.93985	0.2
87.00869	2.1
87.32927	0.2
96.96008	100.0
112.98753	0.3
114.93375	0.3
119.05029	6.8
129.02112	0.2
132.04524	0.4
135.04501	0.4
142.96635	0.5
148.43602	0.2
149.00931	5.4
150.05595	0.3
158.99733	0.3
161.02415	0.2
163.04022	7.1
179.03496	0.3
184.97627	0.4
186.96065	0.2
193.01790	1.2
194.04602	1.0
195.05023	1.7
218.99899	0.3
219.03398	1.2
235.02953	0.3
261.00842	0.9
295.04556	1.3
301.08322	0.4
357.10287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
60.24382	0.2
68.99580	0.5
71.01380	0.6
72.99321	0.9
75.00870	3.1
79.95737	2.0
85.02969	0.3
87.00875	2.2
89.02496	0.2
89.07870	0.2
96.96012	100.0
99.00883	1.0
103.00392	0.5
112.98687	1.2
115.00349	0.9
119.03626	0.3
119.05019	8.5
128.69849	0.2
129.01924	1.6
135.04520	1.3
146.40971	0.2
149.00937	6.1
149.06076	1.4
157.01443	1.0
159.03009	1.0
163.04015	10.0
175.02527	0.5
179.03493	0.5
184.65544	0.2
184.97708	0.3
195.03467	0.4
195.05103	7.7
229.36266	0.3
261.00784	0.5
295.04599	1.3
301.08514	0.3
357.08307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40265	2.3
56.33107	2.1
59.01381	18.8
67.23520	2.3
75.00893	5.0
85.02953	2.7
89.02482	3.3
92.10139	6.5
100.93383	2.5
106.06628	100.0
108.08217	4.7
126.24905	2.8
135.03014	11.6
140.99995	2.5
150.05621	47.7
159.78751	2.8
161.02710	3.1
162.42474	2.7
164.07211	10.8
173.98341	2.9
194.04585	24.2
276.09726	3.7
356.09866	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32938	0.2
59.01390	2.1
61.98833	100.0
77.77125	0.2
84.92848	0.2
93.94459	0.2
96.96004	2.8
119.03976	0.2
119.04993	0.3
121.35751	0.2
128.61961	0.2
135.37582	0.2
144.68260	0.3
152.07135	0.6
153.01944	0.3
243.28697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53296	0.4
59.01375	4.7
61.98832	100.0
64.34059	0.5
72.26944	0.6
73.24828	0.6
88.98782	0.9
89.02455	0.6
96.96012	9.8
97.03512	0.5
126.70184	0.5
127.64564	0.5
195.05099	1.2
258.16995	0.6
276.31766	0.5
289.30292	0.5
401.03244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83927	0.6
59.01386	100.0
60.33028	0.9
60.39111	0.7
61.98846	4.1
62.59109	0.8
63.56407	0.7
74.59312	0.6
83.00557	0.8
84.00917	0.8
87.74817	0.8
92.10053	2.6
95.05437	0.9
96.95981	1.0
97.61533	0.8
127.06219	0.7
133.02959	1.1
136.47424	0.8
168.40866	0.8
173.50589	0.8
343.63376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47630	0.9
55.27287	1.0
57.03460	2.1
59.01384	16.0
69.03490	1.4
76.99905	1.1
80.91673	14.6
83.05070	1.3
93.03481	6.0
97.02921	2.3
107.05052	2.3
119.05042	23.8
137.09697	1.9
151.07675	9.7
152.08511	2.2
163.11282	2.9
165.12845	7.6
172.01669	5.7
175.18456	1.1
176.08319	1.4
179.14455	2.6
180.11795	1.1
181.12274	1.4
183.62427	1.2
193.15926	1.5
200.01222	2.7
205.08737	1.5
207.10059	6.5
208.19466	1.2
209.11725	1.7
209.15479	1.5
219.09921	1.6
223.13402	6.2
231.09935	2.1
245.19046	2.0
247.09550	1.6
247.20798	9.5
248.10309	6.3
256.00165	32.0
257.00610	1.8
262.11813	1.9
263.16595	1.7
271.02533	9.1
285.14865	1.9
287.16470	2.6
291.19684	54.0
309.17252	2.3
309.20749	49.1
313.14279	4.5
313.17810	27.2
329.25656	1.6
331.15353	9.0
331.18951	100.0
376.05933	6.0
391.08221	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	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93398	1.4
58.31524	1.4
59.01382	15.3
71.01396	2.5
80.91672	17.6
97.02925	2.2
111.08152	6.6
130.93558	1.7
139.07695	7.6
153.12932	2.5
155.10622	1.8
167.10771	4.1
181.12331	1.9
191.29927	1.8
197.11887	2.2
209.11650	14.3
213.46265	1.7
215.12903	2.6
215.42200	1.7
219.10046	6.7
221.11725	2.8
248.10347	3.6
249.11185	3.2
253.10645	6.9
263.19943	2.1
291.19644	13.7
303.19452	2.6
309.20779	47.9
313.18082	2.1
331.18973	100.0
332.19043	1.9
363.16501	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	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71777	1.1
53.53265	1.1
59.01381	30.1
66.20869	1.3
70.64145	1.2
74.63340	1.4
75.34894	1.3
80.91673	10.3
95.05025	2.8
109.06583	2.0
111.08144	22.2
124.78469	1.9
147.11771	6.0
151.11317	2.2
165.12848	9.3
169.12346	9.0
187.10988	1.7
197.11859	83.8
199.13550	1.6
211.13423	8.2
215.10551	12.0
219.10072	3.1
227.13005	2.6
233.11603	100.0
251.11409	2.5
263.20132	2.8
279.19446	1.8
291.19678	15.0
293.12393	2.4
306.65988	1.6
309.20816	38.8
331.18939	7.3
358.77396	1.7
391.21045	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	391.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99639	4.0
54.14858	4.0
59.01385	54.9
65.35255	5.3
78.22200	4.2
80.15393	4.6
80.91691	19.7
86.29044	4.4
89.17638	4.2
90.89384	4.6
111.08147	43.8
165.12720	6.6
169.12334	6.6
197.11870	100.0
211.13297	18.6
219.09996	74.0
223.02109	5.3
233.11601	31.0
251.11679	6.0
283.35989	5.4
291.19705	8.3
309.20786	71.1
331.18936	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06734	0.3
55.01892	0.3
56.65684	0.3
57.03461	0.4
59.01384	100.0
59.42933	0.2
59.54845	0.3
71.01382	8.1
72.92197	0.3
72.99338	0.3
73.02603	0.3
73.02950	2.0
75.00881	0.4
83.01388	0.7
85.02965	3.1
85.52782	0.3
87.00906	0.5
89.02447	4.4
95.01431	0.4
99.00854	0.6
101.02436	4.8
113.02449	3.1
119.03468	1.5
121.06252	0.3
121.68324	0.3
135.02965	0.4
143.03511	0.3
148.49278	0.4
148.86348	0.3
159.02948	1.2
159.04395	0.5
161.04532	4.2
179.05588	0.4
187.07654	1.2
202.06419	0.4
203.10803	0.3
229.08545	0.5
275.09216	2.5
316.37723	0.3
331.17709	6.3
349.18600	0.6
391.19510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01384	100.0
60.22594	0.5
61.06815	0.4
71.01378	6.2
71.01660	0.4
72.99315	0.8
74.99100	0.7
83.01427	0.8
85.02967	2.6
89.02450	7.4
101.02462	3.1
102.90385	0.5
113.02468	2.8
117.69604	0.6
119.03516	2.8
128.05249	0.6
131.19679	0.6
135.04486	0.6
135.98291	0.6
151.03992	0.9
161.04607	1.0
179.05632	1.2
198.06969	0.5
199.32458	0.5
229.10817	0.8
328.50406	0.8
331.17599	1.2
361.14001	0.9
391.19785	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	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68383	0.3
59.01385	100.0
71.01396	3.8
73.02960	0.5
83.01403	0.7
85.02957	1.7
87.00887	0.5
89.02437	4.4
97.12952	0.4
101.02449	3.0
113.02438	1.9
119.03506	1.7
135.04517	0.8
141.77367	0.4
161.04576	0.9
179.05608	0.5
194.19824	0.4
211.95047	0.4
257.39233	0.4
275.09332	0.4
331.17624	2.6
391.19339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82817	1.0
59.01383	39.6
62.22103	0.9
63.17012	1.2
66.50392	1.0
71.01403	5.5
75.00876	1.3
78.95901	12.6
85.02984	1.6
93.03465	1.6
96.96976	11.5
97.06567	1.9
101.02443	1.5
108.02174	1.6
113.02438	1.7
115.00378	2.3
119.04967	1.7
121.02979	13.3
122.03746	9.7
123.04521	5.2
125.09724	15.5
132.02197	1.3
133.01436	2.6
133.02979	4.5
134.03745	14.4
135.03001	2.1
135.04515	9.1
135.36176	1.1
136.01653	30.2
136.05307	27.6
137.06099	2.7
147.04468	1.5
149.02444	36.7
149.06096	8.8
150.03229	100.0
151.04021	42.5
159.04550	2.0
164.04807	7.1
165.05565	42.1
181.05055	4.9
187.07657	8.6
187.09752	19.5
195.06651	38.8
195.08011	1.0
211.09628	1.1
225.07631	2.4
231.10323	2.1
241.08728	1.6
273.22992	1.3
275.09253	12.5
283.09747	8.9
284.10532	2.2
311.09268	7.7
343.11923	83.8
391.14151	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	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.0
57.69816	0.9
59.01383	100.0
63.13855	1.0
71.01379	24.6
71.01719	1.2
71.23484	1.0
72.99312	2.3
73.02941	18.5
75.00868	1.4
78.37205	1.2
81.07094	1.7
83.01411	6.3
85.02940	8.8
87.00888	2.7
89.02447	8.4
89.20414	1.2
91.83611	1.2
95.01399	2.6
97.81097	1.0
101.02436	20.6
103.18149	1.2
109.02962	6.9
113.02450	13.1
119.03532	2.1
133.02977	1.5
135.04608	1.5
153.01968	8.5
161.04611	2.3
187.13428	2.1
193.05098	2.5
195.03101	1.3
247.52298	1.4
260.66003	1.1
295.04578	2.6
331.17725	2.7
347.13544	4.3
349.18915	9.7
374.06122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64904	1.0
55.01888	2.9
55.04029	1.1
55.04335	1.1
57.03451	6.0
57.17194	1.1
58.00622	1.3
59.01387	36.7
61.95918	1.2
61.98837	17.8
69.03462	1.5
70.05627	1.1
71.01387	11.7
73.02946	22.7
81.03458	4.7
82.95461	1.3
83.01377	11.2
85.02956	31.5
87.00930	1.2
96.96009	15.2
99.00876	1.6
99.04505	8.7
101.02438	46.3
106.69414	1.3
109.02997	2.1
111.00875	10.5
111.04524	2.0
113.02422	6.7
117.05589	10.8
127.04015	2.3
129.01939	100.0
133.02908	1.9
191.05637	31.0
239.45332	1.3
281.76978	1.4
346.06168	1.6
353.08871	2.3
391.12531	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40018	0.2
55.69524	0.2
59.01382	6.6
61.98832	5.2
68.52791	0.2
71.01404	0.3
73.02962	0.3
78.95897	8.9
78.96323	0.4
79.95750	1.7
95.01392	0.4
96.96011	100.0
96.96927	16.1
101.02453	0.4
113.78922	0.3
133.02905	0.4
149.02411	0.3
150.03267	0.3
161.24983	0.3
171.98715	0.3
191.05653	0.4
220.96033	0.3
273.41809	0.2
293.12469	1.3
315.85187	0.3
331.07257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46257	1.0
55.09282	1.1
58.18678	1.0
59.01387	24.9
62.01204	1.0
65.11860	1.1
65.54263	1.0
71.01382	33.5
71.86701	1.0
72.99336	5.7
75.11883	1.2
83.57851	1.2
85.03011	1.4
87.00883	1.6
89.02452	5.7
90.16408	1.2
92.10780	1.2
96.10348	1.1
97.24297	1.2
101.02464	2.7
115.00365	75.7
133.01425	100.0
150.44255	1.4
158.03783	1.5
159.04495	2.5
172.05309	4.7
173.06075	2.9
183.10318	1.5
187.03943	1.4
187.07660	39.1
201.05551	6.5
202.06361	11.3
203.10846	1.6
210.36609	1.5
213.09218	5.2
215.07185	6.4
217.09082	1.9
218.93710	1.2
231.10262	19.4
275.09259	17.6
282.01437	1.3
287.09363	1.4
328.55969	1.3
391.20035	1.7
391.26587	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	391.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37463	0.9
52.17846	1.1
57.03465	1.1
59.01381	21.5
61.19379	1.1
63.57265	1.2
71.01378	26.4
72.99324	7.2
76.60003	1.2
77.96037	1.1
78.37627	1.2
87.00883	2.3
89.02449	5.3
93.74126	1.1
101.02448	1.5
102.98576	2.6
114.99558	2.2
115.00370	67.8
120.99656	1.7
124.12374	1.2
126.95635	1.1
133.01431	100.0
158.49133	1.2
159.04515	2.0
172.05345	1.9
173.06107	5.2
183.10306	2.6
187.04053	1.6
187.07652	36.9
199.08067	1.8
201.05618	5.3
202.06346	11.4
213.09221	6.6
215.07193	5.3
231.10291	17.6
255.37027	1.6
275.09286	15.6
391.26779	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	391.0827
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
59.01395	3.4
59.01640	0.4
73.20208	0.3
87.00863	0.3
93.03458	13.7
94.03819	0.4
97.79633	0.3
101.28604	0.4
104.02641	0.3
115.07129	0.3
119.05025	84.2
120.05331	0.5
128.85347	0.3
132.02148	1.8
148.01654	2.3
151.48677	0.4
160.01698	0.5
172.01668	26.9
200.01170	10.3
201.01930	1.8
212.01152	3.1
213.02025	4.0
216.00684	1.6
227.03491	0.4
228.00710	4.9
229.01416	1.6
230.02132	0.8
241.01398	0.5
242.02243	0.5
254.02232	0.6
254.99452	1.4
256.00156	100.0
257.00919	6.6
269.01019	1.5
270.01660	4.9
271.02499	22.3
282.01614	3.8
283.02448	3.3
297.04129	4.7
348.06448	0.7
358.04913	0.7
376.01083	0.8
376.05920	24.9
377.06226	0.4
391.08282	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37164	0.5
54.82055	0.4
55.12202	0.4
59.01384	6.0
59.15782	0.4
61.98843	0.7
68.33108	0.3
71.01386	0.4
71.39233	0.4
73.11364	0.4
78.95911	8.9
79.95751	0.8
85.53752	0.4
89.02471	0.4
96.96012	100.0
96.96933	20.0
106.93011	0.4
150.05609	0.6
174.52716	0.4
194.04523	0.9
206.14357	0.5
293.12140	0.7
310.60159	0.5
356.09784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77824	0.3
59.01390	100.0
70.76096	0.3
75.70597	0.3
80.55340	0.4
81.48328	0.3
84.28211	0.3
89.54129	0.3
117.94902	0.4
160.26144	0.3
177.99866	0.4
178.06758	0.4
297.48410	0.4
310.44061	0.4
335.11664	0.4
387.76797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
82.79214	0.7
104.23004	0.7
106.12435	0.7
268.67908	0.7
297.55060	0.9
304.01596	0.8
364.53186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.2
61.98835	100.0
62.34785	0.7
65.09648	0.6
69.24446	0.7
78.95905	15.2
92.10793	0.9
130.17979	0.7
134.03729	1.3
203.36006	0.9
218.90833	0.8
219.55028	0.8
224.18509	0.8
233.89137	0.8
275.09232	3.5
356.69989	0.8
385.07712	1.0
390.17609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09156	0.7
59.01384	100.0
77.73598	0.8
114.37579	0.9
115.30231	0.7
131.32019	0.8
140.40685	0.8
156.21419	0.8
169.09074	0.8
391.89224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.255
Annotation	bhos#24
Peak:m/z	Relative Intensity
51.19845	0.5
54.58818	0.5
55.96796	0.5
57.03452	2.4
58.00600	0.7
59.01380	6.7
65.51322	0.6
69.35529	0.4
70.49594	0.6
71.01383	3.0
71.05017	1.4
73.02574	0.7
73.02943	5.5
83.05025	4.7
85.02934	1.4
87.04516	2.4
95.05038	1.1
97.06606	9.3
99.04525	0.6
102.39214	0.6
109.06596	1.2
113.06084	1.1
125.09735	4.3
125.55736	0.6
127.11247	0.9
130.06364	0.6
143.05023	0.7
171.10265	9.6
185.11847	5.9
197.11862	0.8
199.13428	1.1
201.11299	2.3
201.14986	1.4
209.15457	0.7
211.13429	0.7
227.07190	4.5
229.14397	2.3
237.15039	0.6
243.15987	7.4
255.16005	3.4
273.17099	32.5
341.23474	0.7
359.24463	4.0
371.24426	0.9
387.61002	0.6
389.25510	100.0
390.25659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94619	44.4
59.01377	85.8
61.98830	88.6
85.28106	51.3
119.23283	60.2
125.09736	100.0
137.16139	60.6
152.95422	47.3
159.03256	49.6
160.61920	54.9
162.99594	54.8
171.10252	57.5
200.35031	43.1
203.81763	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63257	17.6
59.01392	100.0
67.69009	20.8
69.62537	19.9
70.36567	17.2
71.97874	16.9
73.68320	15.8
76.59209	17.3
90.34098	26.7
100.09119	17.9
136.60597	21.0
150.00529	20.8
318.19650	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80131	0.2
54.29390	0.2
54.31699	0.2
59.01384	1.1
66.02659	0.2
75.00893	0.4
77.18738	0.2
78.95906	100.0
79.52407	0.3
85.02940	0.5
92.16410	0.3
96.96957	60.4
106.43485	0.2
195.05031	0.3
387.74063	0.3
389.17416	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	389.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93914	0.7
54.82543	0.8
59.01383	77.0
61.98815	3.0
78.95899	100.0
96.96969	1.6
107.01428	0.8
127.27018	1.1
148.90030	0.8
161.04533	0.8
167.10788	29.2
389.17316	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	389.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87687	0.8
59.01392	8.7
61.98837	10.0
62.93785	0.7
78.95905	100.0
80.82885	0.7
89.26730	0.8
96.96941	1.0
99.23904	0.8
106.15832	0.8
120.57538	0.7
167.10779	2.0
214.38016	0.9
337.29285	1.0
349.35040	1.1
389.17490	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	389.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96404	0.1
78.95901	100.0
82.07323	0.1
91.44395	0.2
96.96960	4.7
111.22119	0.1
114.57314	0.2
184.34169	0.1
260.68188	0.2
334.87274	0.2
389.17407	5.6
404.41995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88457	1.9
59.01384	36.6
64.03629	1.7
64.52058	1.7
85.02972	2.1
110.32162	2.2
114.62560	1.9
121.02981	3.5
122.03722	2.4
134.03752	11.4
135.04482	3.0
135.36823	1.8
147.04533	52.6
148.05313	41.8
149.02443	8.7
150.03250	19.7
161.06128	2.0
162.03239	9.4
162.06882	4.3
163.07571	2.4
165.05553	15.7
175.04198	1.9
176.04803	23.7
178.02745	4.6
179.17680	1.9
180.04289	8.6
183.31367	2.2
191.07172	85.6
193.05042	8.7
194.05840	16.3
195.06606	2.5
195.91473	2.2
211.07626	2.7
223.07655	9.1
225.05521	4.0
229.03331	2.0
234.07111	2.0
237.05531	4.0
239.07220	14.8
241.05060	14.3
249.05559	2.4
251.07082	25.3
253.05061	9.0
263.07129	3.1
264.07965	2.3
265.04892	2.8
266.06006	3.0
267.06625	100.0
268.07483	4.2
269.04556	29.0
279.06674	47.5
280.32413	2.3
281.04599	11.3
282.06027	4.1
282.09027	69.0
283.09744	2.8
284.06894	20.2
293.08328	4.7
294.08997	27.5
296.07065	2.5
297.11331	97.0
299.09390	14.8
309.11331	26.6
311.09314	3.8
327.12466	78.0
359.11334	11.7
371.11478	2.1
388.65244	2.5
389.25485	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	389.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01380	6.3
61.98819	0.4
62.13047	0.4
63.20248	0.3
67.01880	0.7
70.79825	0.4
71.01394	1.8
78.95909	0.4
81.03454	0.5
83.01392	0.4
85.02946	6.8
87.00894	1.8
90.57973	0.3
91.66753	0.4
93.03458	2.4
95.01394	0.5
96.96001	6.8
108.02177	3.7
109.02948	5.4
111.00893	1.5
111.04517	0.5
113.02453	1.8
123.00928	0.5
123.04517	18.3
124.01692	0.7
127.04011	2.2
133.02963	0.8
135.04521	1.5
135.71249	0.4
149.55714	0.4
151.00340	2.1
152.01164	13.6
161.02457	2.0
164.01172	2.5
165.01939	0.7
166.02675	4.8
166.06314	0.5
167.03491	46.2
168.03844	0.4
173.04541	0.9
179.03505	1.6
181.05093	1.8
191.05621	100.0
194.02220	2.1
209.04608	5.9
304.52786	0.4
353.08826	7.4
370.04529	0.4
387.58249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01389	7.3
65.81448	0.4
66.23629	0.4
66.80738	0.4
67.01888	0.4
71.01395	2.2
73.02951	0.7
74.54062	0.4
81.03453	0.4
82.95431	0.4
85.02956	9.4
87.00893	2.1
89.02489	0.5
93.03448	3.2
95.01379	0.7
96.96010	6.3
101.02468	0.6
108.02172	7.0
109.02959	6.1
111.00898	1.0
111.04498	0.5
112.04036	0.5
112.50849	0.4
113.02480	3.0
123.04523	23.7
124.01643	0.8
125.02407	0.5
127.04016	2.5
133.02890	1.5
135.04509	1.8
136.10316	0.4
151.00348	3.2
152.01160	16.4
161.02469	1.0
164.01176	2.5
165.01926	2.0
166.02711	6.1
166.06252	0.8
167.03500	61.7
173.04630	0.8
179.03516	0.6
179.07069	0.6
181.05095	2.9
191.05627	100.0
194.02208	2.5
195.81065	0.5
209.04553	8.6
269.06937	0.8
351.07007	0.6
353.08801	7.2
363.03772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76680	0.9
55.01883	2.6
57.03456	20.4
59.01382	32.6
59.01656	1.7
63.41087	1.1
67.01890	1.8
69.03449	0.9
71.01372	18.9
71.05050	1.1
71.19308	1.1
75.00896	4.7
75.58772	1.0
77.95416	1.0
78.30404	1.0
78.95907	35.6
79.95725	1.1
81.03466	4.5
83.01389	5.5
83.39957	0.9
84.18228	1.1
85.02953	21.9
87.00873	96.7
89.02448	7.6
90.19575	0.9
92.10130	4.9
96.96008	100.0
96.96960	50.8
97.02943	1.5
99.00880	8.0
99.04537	6.2
101.02429	14.1
111.00877	21.5
113.02494	2.7
122.50658	1.1
127.03994	8.1
129.01950	46.8
147.03003	17.2
161.04520	1.2
171.02940	1.3
173.41882	1.1
191.01999	45.9
205.86057	1.1
209.03047	13.2
257.89383	1.1
273.91129	1.1
291.07236	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	389.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82406	0.3
55.01868	0.4
59.01384	6.1
68.99570	11.7
71.01389	2.1
71.64462	0.3
78.95899	9.3
79.95742	1.3
81.03452	1.8
83.01385	0.6
83.05012	0.3
85.02946	5.7
89.02443	1.4
96.96004	100.0
96.96918	14.9
97.02921	0.4
99.04522	1.9
101.02443	4.0
111.00873	4.5
112.98565	8.3
113.02408	1.7
119.03490	0.3
127.03986	2.6
129.01939	7.6
139.03963	0.5
142.68996	0.3
166.91382	0.3
291.07242	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	389.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.8
57.03452	7.7
59.01387	45.7
60.97086	1.0
65.03981	0.9
69.03475	1.6
71.01385	16.7
71.05052	1.7
72.99319	1.2
73.02967	2.0
74.44410	0.9
75.00890	5.1
78.95909	64.3
81.03468	16.1
83.01399	6.4
84.02179	1.3
84.42194	1.2
85.02965	36.4
85.03465	1.7
87.00878	21.2
87.01376	1.3
88.00760	1.0
89.02451	12.4
96.95986	4.1
96.96964	100.0
97.02972	4.2
99.00877	5.4
99.04517	12.2
100.32324	1.1
101.02435	18.2
104.47259	1.0
110.98568	1.0
111.00877	27.5
113.02435	9.1
116.03587	1.0
119.03519	4.8
121.02956	2.3
123.04511	9.2
126.87299	1.1
127.03992	13.4
129.01945	50.4
139.87819	1.0
147.03026	2.0
171.02943	1.6
179.05716	1.8
191.01974	6.3
195.05066	7.8
209.02974	2.3
232.89021	1.0
291.07224	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35898	0.2
57.52943	0.2
61.98831	100.0
71.27577	0.3
74.16170	0.3
108.90319	0.3
111.04118	0.3
128.63118	0.3
130.23779	0.3
143.06790	0.3
209.11855	0.5
307.19183	0.4
325.20279	0.3
399.68137	0.3
407.88394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57874	0.3
54.83393	0.3
55.01873	0.3
55.22301	0.3
59.01384	4.6
61.84309	0.3
66.93458	0.3
68.99580	11.7
71.01397	1.7
73.94796	0.4
78.95913	8.2
79.95743	1.2
81.03460	1.4
83.01389	0.4
83.05067	0.3
85.02960	4.8
87.00897	0.4
89.02458	1.3
92.10136	0.4
95.01458	0.4
96.96014	100.0
96.96929	12.8
99.04494	1.5
101.02438	2.5
102.11159	0.3
111.00877	3.4
112.98576	9.8
112.99361	0.4
113.02444	0.6
116.99104	0.3
119.03526	0.4
123.31041	0.3
127.04008	2.0
129.01953	6.8
195.34262	0.3
252.41022	0.3
291.07275	7.9
306.83447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67085	0.2
52.48093	0.2
53.39174	0.2
53.47932	0.2
56.24083	0.2
59.01384	0.2
61.98833	100.0
72.78919	0.2
106.70095	0.2
150.68922	0.2
190.64252	0.2
191.65678	0.2
284.45102	0.2
316.09851	0.2
325.20352	0.4
392.67432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00741	0.4
59.01381	1.1
61.98840	100.0
95.45222	0.5
128.06001	0.5
139.39482	0.6
154.13390	0.5
165.35493	0.5
178.15163	0.5
204.14946	0.5
213.20341	0.5
227.12964	0.7
235.52058	0.5
255.61014	0.6
319.97186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
82.68927	0.5
96.96029	5.0
120.05357	2.3
124.37438	0.6
219.92957	0.6
282.72498	0.6
292.44540	0.6
315.26999	0.7
372.19568	0.7
414.41388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45644	0.3
59.01397	1.4
59.02577	0.3
60.65347	0.3
61.98839	100.0
74.24470	0.4
78.05685	0.4
83.09917	0.4
89.59009	0.4
123.63852	0.4
282.22186	0.4
285.18622	0.4
396.54663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00636	0.1
61.98832	100.0
62.34119	0.1
73.28284	0.1
78.95916	0.2
84.54899	0.2
94.56255	0.1
123.38725	0.2
139.04095	0.1
141.24290	0.2
193.17514	0.2
280.92188	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82183	19.9
59.01390	100.0
59.26111	19.9
95.01045	21.4
99.94675	25.3
141.01738	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25251	40.0
59.01395	100.0
59.20362	38.5
76.33018	42.3
88.03969	42.6
189.27583	48.2
200.63326	43.0
275.74463	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04542	0.8
59.01385	100.0
61.98840	5.6
62.82872	1.0
90.46948	0.9
194.96445	1.0
239.84723	1.0
253.21817	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	387.2027
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.01891	26.0
56.20177	1.0
57.03458	11.9
58.00610	1.2
59.01390	93.7
62.82269	1.3
64.85803	1.4
71.01387	91.5
71.13278	1.2
72.91467	1.5
72.99311	5.8
73.02943	30.7
75.00872	2.0
83.01395	26.1
85.02959	60.1
85.03468	2.7
86.00094	3.2
87.00883	6.9
89.02457	14.1
93.61483	1.2
95.01377	9.6
97.02933	2.2
97.11121	1.3
99.00878	15.2
101.02439	84.3
102.93371	1.2
111.00859	1.9
111.08112	1.4
113.02456	32.7
119.03499	2.4
125.02441	1.7
129.01965	1.8
139.00304	1.5
159.02931	6.4
161.04550	21.7
165.09302	1.5
253.87950	1.4
277.62878	1.3
296.39392	1.5
301.20020	1.8
343.21164	11.9
387.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.51880	0.4
51.65079	0.5
53.65623	0.4
55.01880	0.8
57.11376	0.4
59.01385	100.0
60.01718	0.5
62.62694	0.4
71.01392	8.9
73.02962	1.1
75.00891	0.4
83.01395	0.7
85.02969	3.0
87.00883	0.6
89.02463	2.1
92.10137	1.6
95.01394	0.9
97.02959	0.7
99.00883	0.7
101.02434	4.6
102.98611	1.9
106.04244	1.1
109.02949	4.2
111.96233	0.5
113.02431	3.7
119.03501	0.6
121.06573	0.6
123.04484	0.9
135.04460	0.5
141.01891	0.5
147.04514	0.6
152.01138	0.7
153.01965	4.6
161.04565	7.1
163.11356	6.2
165.00093	0.5
165.05537	1.9
165.09206	31.6
167.01764	0.9
180.04298	0.8
183.82484	0.5
184.50948	0.6
192.99583	0.8
225.07635	0.7
233.90761	0.6
327.14758	0.7
385.67935	0.6
387.16833	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	387.0724
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.80979	0.5
58.66301	0.6
59.01376	3.0
75.00882	3.0
76.57161	0.7
78.95890	3.0
93.72675	0.7
99.57565	0.7
103.00404	1.0
147.80119	0.7
182.03842	0.8
183.04512	9.4
187.03996	3.5
189.36417	0.7
195.04292	0.8
197.06134	8.3
198.03387	0.8
198.06850	0.9
200.04803	1.2
210.03224	2.6
211.04045	9.8
213.01961	1.5
213.05672	1.3
224.04788	4.5
225.05566	4.2
226.02783	3.0
239.03464	6.0
241.05069	15.9
245.04736	0.9
253.04988	1.1
254.02144	1.4
255.03004	12.8
267.02988	4.2
269.04565	11.5
281.01019	1.4
283.02606	4.3
297.04190	5.6
298.04800	5.2
299.05646	1.5
301.20007	1.1
313.03564	8.5
327.05133	23.2
343.24951	2.8
355.04672	6.9
387.07251	100.0
387.23920	4.6
388.07416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39353	0.2
53.65579	0.2
57.12190	0.2
59.01393	1.5
61.98839	0.5
67.03983	0.2
71.01379	0.3
72.08853	0.3
73.02966	0.3
75.00890	0.2
78.44028	0.2
78.95906	13.6
79.95746	2.6
93.03431	0.3
96.65811	0.2
96.96017	100.0
96.96938	20.9
118.25817	0.2
121.03002	0.3
121.33896	0.2
128.58762	0.2
135.04555	2.6
139.04034	1.0
150.03209	0.5
165.05571	1.6
167.03458	0.3
195.05078	0.3
207.79887	0.2
225.04044	0.4
228.13869	0.2
307.00601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07324	0.2
57.82470	0.2
58.84295	0.2
61.98834	100.0
63.65420	0.2
73.97409	0.2
111.85936	0.2
209.11781	0.3
305.17645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83057	6.5
66.42283	7.1
74.54877	6.9
84.00902	100.0
90.59311	8.9
92.10139	17.3
116.23882	7.3
118.88243	7.3
180.83502	7.5
235.90245	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	386.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53814	0.4
50.96508	0.6
52.36880	0.5
59.01380	0.6
61.98834	100.0
66.66171	0.5
82.64592	0.5
84.87944	0.5
89.32881	0.5
92.10861	0.6
94.95259	0.5
104.50700	0.6
137.02419	0.7
138.02852	0.6
147.22203	0.6
162.15991	0.6
165.03864	0.6
174.89334	0.5
246.96201	0.7
305.17532	0.7
380.73550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05377	0.3
52.24986	0.4
59.01385	2.5
61.98832	100.0
63.30700	0.4
67.16840	0.4
71.01369	0.6
89.02454	0.5
96.95995	0.6
108.97669	0.4
139.55801	0.5
161.08228	4.0
268.98508	0.4
289.50964	0.5
349.16272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09153	0.2
60.81104	0.2
61.98835	100.0
66.09492	0.2
87.54966	0.2
112.53100	0.2
155.98001	0.2
187.42441	0.3
199.89375	0.2
294.52283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
51.14599	2.2
52.91521	2.9
55.01891	10.9
57.03454	6.9
59.01386	100.0
67.83134	2.7
71.01383	85.9
73.02965	16.1
83.01383	6.7
85.02948	34.4
87.00893	4.4
89.02442	35.1
90.90123	3.2
95.01393	5.3
99.00887	5.3
101.02452	39.9
109.03020	3.2
113.02476	24.7
119.03504	22.5
135.04552	4.5
137.02435	5.6
161.13348	25.9
163.07596	6.6
179.05779	3.5
194.62654	3.0
201.34305	3.1
205.12383	2.9
215.64505	3.9
226.90848	3.0
277.60294	3.2
385.18713	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00407	2.2
50.47530	3.3
57.03450	22.7
59.01382	64.2
67.01919	3.0
71.01392	19.0
73.02964	2.9
81.03459	10.3
83.01396	16.6
85.02970	5.1
89.02460	15.4
93.03458	4.0
94.60010	2.5
95.01318	2.9
95.05031	11.3
97.02974	7.0
99.04502	4.4
101.02419	3.6
106.04311	2.9
107.05016	5.0
107.08704	3.0
109.02946	6.9
113.02477	10.8
121.02982	12.7
122.03756	3.6
123.04424	3.3
125.02446	70.5
135.04532	10.4
135.11816	15.2
137.02443	100.0
138.03160	3.6
139.04005	3.4
146.03760	49.8
149.02412	4.9
151.04030	4.9
159.04572	14.6
161.09648	22.0
164.01166	41.7
165.01947	81.5
165.03275	5.7
167.03464	35.4
172.05310	11.1
173.06104	24.3
174.03212	13.6
174.06895	6.3
175.03998	6.3
175.07680	43.8
176.04785	15.2
177.01907	12.1
179.03496	7.1
179.10788	100.0
185.06108	3.7
187.04092	4.5
187.07657	4.5
188.04797	4.6
190.02725	4.9
200.04851	5.8
201.05634	6.3
201.09256	11.5
203.07176	18.7
205.08727	5.9
213.09276	4.1
217.08727	26.0
218.90625	3.2
223.09811	20.1
225.05719	6.1
229.08723	36.0
241.08719	6.0
247.09810	10.0
257.11801	4.1
268.07425	3.7
281.11749	11.8
297.11383	4.1
299.12845	5.7
323.12860	27.5
349.10736	3.3
367.11884	40.4
385.13086	13.4
390.50659	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	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66197	0.7
57.43779	0.7
59.01386	32.8
62.62545	0.8
67.45541	0.7
71.01374	1.4
75.20567	0.8
78.95895	0.9
79.64332	0.8
87.00889	1.6
92.10823	1.6
93.03457	1.2
95.05051	0.8
109.02945	17.4
109.06609	6.0
119.05018	8.8
121.02926	16.0
121.03728	0.9
122.03743	1.4
135.04517	12.4
137.02432	1.2
137.06082	48.4
149.02460	21.6
151.00400	1.2
152.01141	5.2
153.01953	7.3
163.04091	1.9
164.04811	13.6
175.00378	1.1
175.30544	0.8
179.03601	0.8
179.07118	3.9
181.05078	100.0
190.02675	1.1
193.01422	9.2
195.02892	1.0
205.04980	1.7
208.03763	15.5
223.06123	27.5
255.05194	1.0
297.06177	1.1
331.08517	0.9
385.11539	2.9
394.63965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49057	2.5
57.03456	25.3
59.01383	60.5
71.01399	14.1
72.35646	2.9
75.11868	2.9
81.03493	15.7
83.01402	16.1
85.02972	13.7
89.02435	7.6
93.03481	4.5
95.01393	5.7
95.05002	6.1
97.02972	17.3
101.02455	4.6
106.04294	4.4
107.05062	4.5
109.03006	13.6
113.02477	6.6
119.05074	4.0
121.02953	7.9
122.03735	6.0
125.02441	65.4
135.04546	6.2
135.11832	7.6
137.02448	90.9
138.96564	4.1
146.03714	39.3
146.75943	2.9
147.04579	5.9
149.06012	5.3
151.03903	3.7
159.04486	5.6
159.08122	4.5
161.02542	4.5
161.09744	26.3
164.01138	36.7
165.01936	64.3
167.03464	27.9
172.05202	4.8
173.06041	22.9
174.03270	13.2
174.06949	4.7
175.07607	41.5
176.04814	17.3
177.01974	12.2
179.03569	14.6
179.10773	100.0
187.07668	5.5
188.04887	4.1
189.09222	6.3
199.07692	4.5
200.04901	4.7
202.06329	6.7
203.07198	15.2
203.10852	5.9
205.08719	7.8
215.07111	4.2
217.08731	19.9
223.09708	25.8
225.05589	5.2
229.08653	29.5
239.10820	4.5
247.09734	7.0
255.10205	4.1
257.11835	3.8
268.07535	4.8
281.11932	7.6
288.06445	3.9
294.08966	3.8
299.12973	17.4
323.13004	29.8
367.11914	41.4
385.12933	7.6
385.22446	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32130	0.2
59.01381	3.6
63.40012	0.2
73.02958	0.2
85.02955	0.2
92.10349	1.0
96.96048	0.3
97.80916	0.2
100.50450	0.2
115.14635	0.2
119.05019	100.0
120.05341	0.3
163.04010	62.2
293.93195	0.2
325.09457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00519	0.3
59.01386	5.5
61.61574	0.3
61.98838	0.7
63.30828	0.3
71.01382	0.4
72.99294	0.3
75.80054	0.3
80.80289	0.3
83.46892	0.4
85.02962	0.5
87.00867	3.4
109.02949	2.4
119.05025	100.0
153.01968	2.9
163.04018	62.7
163.22447	0.4
164.04417	0.4
168.01686	0.6
205.05066	0.7
297.06140	2.5
325.09503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.6
58.45438	1.0
59.01383	19.8
61.98824	1.5
65.84433	1.2
71.01391	8.2
72.99326	1.7
73.02946	1.4
83.13175	1.2
85.02956	4.7
87.00871	72.2
88.98804	5.2
96.95992	1.5
101.02437	2.4
107.59187	1.2
108.02140	1.6
109.02964	55.2
116.92844	7.4
119.05022	100.0
121.02971	5.4
125.87026	1.3
135.04515	2.2
137.02435	6.8
152.01196	1.8
153.01952	89.9
155.11186	1.4
159.68970	1.3
163.04033	67.1
163.05394	2.3
177.07001	1.6
179.07137	18.0
195.03015	3.0
225.04085	2.5
255.05019	1.9
297.06201	64.3
385.07690	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08208	0.9
59.01378	8.2
71.01382	6.6
73.02948	1.3
76.57269	0.9
83.01395	1.0
85.02946	1.3
87.00871	78.0
89.02428	1.2
91.01890	1.2
99.99715	0.9
101.02436	5.6
109.02952	68.2
121.02919	1.4
123.04504	1.1
133.02895	1.1
134.03760	1.1
135.04517	5.5
137.02420	1.4
137.06079	4.2
141.36581	1.0
151.04021	1.3
152.01126	1.6
153.01942	100.0
161.02466	3.9
168.69365	0.8
181.05107	7.1
195.03009	3.5
223.06111	1.5
224.31497	0.8
225.04054	5.4
228.95168	0.9
279.05151	1.2
280.89124	0.9
297.06180	80.2
323.61884	1.0
325.09268	1.8
349.15051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53608	2.4
53.60671	2.4
57.03448	2.8
59.01382	70.0
61.98836	5.7
71.01388	27.5
76.72294	2.9
85.02962	5.9
89.02453	23.6
92.10571	4.9
95.30992	2.6
101.02453	18.4
102.50699	2.5
113.02459	6.5
119.03512	3.5
119.05014	20.7
124.33348	2.8
160.11327	16.2
163.04031	17.2
204.10321	4.4
283.84723	2.8
384.16748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11233	0.6
58.02986	0.9
59.01386	100.0
61.44713	0.5
76.58180	0.6
86.85931	0.5
119.05006	0.9
121.27513	0.5
143.11606	0.5
151.94199	0.5
170.11884	2.0
179.10767	0.8
198.15117	0.7
263.29428	0.6
277.22906	0.9
287.21289	0.7
305.22449	2.7
323.08405	1.0
323.23471	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66175	0.2
57.03447	0.4
59.01382	2.1
69.97838	0.2
71.01398	0.6
73.02948	0.4
78.95912	0.2
81.03413	0.2
85.02950	11.0
87.00869	3.0
93.03451	4.2
99.00817	0.2
99.04483	0.5
109.02961	0.3
110.51251	0.2
111.04541	1.2
127.04016	2.6
171.02986	1.2
173.04523	1.4
190.06387	0.3
191.05623	100.0
192.05981	0.5
211.14287	0.3
240.04370	0.3
324.48630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.4
70.30968	0.5
71.01374	12.1
71.05023	7.5
71.97002	0.4
73.90804	0.4
83.01389	0.9
85.02967	2.5
87.04509	2.3
89.02444	12.1
96.96013	0.6
99.04511	19.4
101.02438	5.3
101.06067	7.5
113.02446	3.8
113.06035	0.9
115.03268	0.8
115.04010	10.3
115.07664	4.7
117.05571	19.1
119.03491	5.7
120.03757	0.4
131.07138	0.8
139.44171	0.6
141.05540	1.0
159.06616	0.5
161.08192	100.0
162.08453	0.6
170.44583	0.5
179.05602	6.8
203.09235	0.9
249.71292	0.6
363.09137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56631	1.2
55.01869	2.8
57.03456	12.8
59.01385	100.0
59.55331	1.1
60.00318	1.1
65.46879	1.1
71.01382	38.5
72.99316	4.7
73.02938	8.5
81.03483	1.4
83.01394	4.7
83.05012	1.5
85.02965	18.8
87.00878	24.1
89.02448	18.5
89.02946	1.6
92.10746	1.5
93.03463	2.7
99.00884	45.0
99.04520	14.8
101.02439	26.9
104.82207	1.0
109.02935	4.5
111.04529	1.5
113.02454	27.3
114.55228	1.1
117.01931	6.4
119.03501	46.6
127.03992	5.2
137.02458	10.5
155.03528	24.9
156.37906	1.2
233.06635	9.4
249.51508	1.3
265.09308	5.2
356.29868	1.3
395.90918	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	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.93454	0.9
75.31152	0.8
83.09432	0.9
92.10803	3.1
101.92765	0.8
103.72362	0.9
114.33672	1.0
221.82837	0.9
282.62247	0.9
320.25345	1.0
346.19266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.98837	0.3
69.53433	0.3
71.01375	3.0
71.32885	0.3
73.02940	4.8
75.00883	0.3
82.83629	0.3
83.01382	0.5
89.02396	0.4
95.75242	0.3
101.02434	1.6
105.03487	0.4
109.02929	0.3
113.02460	0.6
132.02179	2.0
133.02956	39.4
135.04530	10.5
140.08498	0.3
149.06139	0.6
150.27097	0.4
161.02449	100.0
177.05534	0.5
179.03506	10.2
203.03584	1.5
215.36159	0.4
383.09937	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	383.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40951	2.3
59.01390	30.8
61.17976	2.1
65.63564	2.3
71.01376	4.5
73.02959	4.3
79.41232	2.5
80.49012	2.3
81.03448	2.8
101.02457	5.3
105.68410	2.6
107.05006	26.1
121.02922	5.5
132.04533	14.9
133.02959	19.6
133.05263	4.8
135.04520	5.8
141.33235	2.9
161.02435	45.6
165.04277	12.9
177.09247	3.1
179.03490	100.0
185.19948	2.8
251.07547	3.1
257.13010	4.5
263.87155	3.2
322.02792	2.7
345.11075	29.6
370.32977	3.1
377.10382	2.8
383.13477	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	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82210	0.2
59.01374	1.7
61.98835	0.4
71.01392	0.4
73.02941	1.2
74.41694	0.3
74.42144	0.3
76.56628	0.3
78.95895	0.4
85.02944	0.3
87.00873	0.4
92.10159	0.5
99.04522	0.5
104.50941	0.3
107.05045	1.2
113.02517	0.4
119.05017	1.3
132.02203	0.4
133.02975	4.9
134.03743	4.2
135.04524	100.0
136.04831	0.5
145.02936	0.6
161.02448	13.2
163.04036	0.4
179.03506	63.9
185.98561	0.3
262.55417	0.3
268.64618	0.3
383.10046	1.9
388.43777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04966	0.3
54.54282	0.3
61.98833	100.0
65.47164	0.3
74.40155	0.3
74.63940	0.3
98.96420	0.4
111.30389	0.4
147.39673	0.3
155.00012	0.3
178.49899	0.4
225.46562	0.4
369.89694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.7
59.01385	13.2
59.48451	0.4
61.69014	0.4
61.86101	0.4
61.98840	1.3
63.66666	0.4
64.01096	0.5
71.01382	6.7
71.01679	0.4
73.02953	1.1
74.29756	0.4
75.00866	16.0
83.01419	0.7
85.02975	2.9
87.00871	9.6
87.12299	0.7
89.02438	4.2
101.02444	3.4
113.02460	2.1
115.05534	9.4
116.05017	3.6
119.03493	1.8
130.06621	12.6
132.04556	29.3
144.04539	4.6
146.06105	2.3
150.73216	0.6
157.05290	1.0
158.06125	100.0
159.06439	0.6
173.04829	0.6
174.05649	7.3
176.07158	1.0
202.05133	23.9
220.06187	14.9
237.06128	5.6
249.06187	5.7
262.07281	0.8
382.11493	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45366	0.3
55.60718	0.3
59.01387	0.7
71.01379	0.7
73.02931	0.5
83.58966	0.3
92.10812	0.7
106.06624	27.1
118.06639	0.7
120.08179	0.6
134.06120	100.0
135.04164	0.4
135.06451	0.5
146.06163	0.5
148.07697	2.2
162.05710	0.5
164.07147	0.6
174.05569	1.5
178.05101	25.7
192.06683	13.7
200.80280	0.3
204.06709	0.3
212.49294	0.3
218.08168	0.5
220.06146	8.8
294.10837	0.5
359.42264	0.3
367.74023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.6
59.01657	1.7
63.04319	1.0
64.11467	1.2
68.04018	1.2
69.75694	1.0
71.01385	10.7
72.99334	1.3
75.00863	17.6
83.15682	1.1
85.02959	2.1
87.00890	8.4
89.02467	5.5
101.02458	5.8
113.02437	1.4
115.05529	9.0
116.05068	2.7
128.05086	2.6
130.06625	20.5
131.03801	2.7
132.04546	43.9
144.04556	19.9
146.06131	21.7
149.11237	1.1
157.05307	1.9
158.06116	100.0
174.05595	65.2
176.07208	6.4
194.32335	1.7
202.05119	47.7
220.06168	60.7
237.06152	2.7
249.06209	5.1
262.07141	4.5
266.83856	1.2
278.86230	1.5
310.22324	1.5
338.77469	1.3
350.68170	1.3
382.11404	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61922	0.9
53.89848	1.0
56.98052	4.6
59.01385	2.3
60.62619	0.9
61.98829	1.9
67.41576	1.0
72.09686	1.1
82.99612	50.5
83.00087	1.8
88.05128	1.1
106.02969	1.4
110.99110	2.1
123.08172	1.8
125.00688	2.3
125.09718	20.2
128.14091	1.1
169.08653	1.7
175.11256	1.6
201.65059	1.1
253.09055	100.0
276.49753	1.2
281.08582	1.7
338.10730	62.9
367.14557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55888	2.3
61.66631	2.4
62.69652	2.4
72.99300	3.3
76.58064	2.5
86.97928	2.9
87.31870	2.4
92.10716	2.8
97.06592	5.2
125.06080	65.3
126.49132	2.8
143.07162	61.5
255.20938	5.3
255.23370	100.0
283.26532	4.1
289.90497	3.2
343.12820	2.9
370.66174	2.9
391.69403	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	381.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18171	15.0
59.01383	72.6
59.95794	16.8
63.37574	15.2
73.80426	15.5
80.76406	14.7
83.16039	15.7
104.35726	16.6
105.90418	18.2
128.65791	16.3
162.80791	18.4
174.99219	25.8
217.00331	100.0
231.88606	19.2
244.22099	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	381.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72832	12.1
57.66247	11.2
58.50359	10.5
59.01385	100.0
59.99340	10.9
63.91389	11.1
78.80657	13.5
81.24312	11.7
92.10859	12.8
103.98923	14.1
112.34218	12.6
114.38644	12.9
141.95091	11.4
174.99196	22.2
195.92157	14.8
216.06544	14.0
217.00365	97.7
307.19217	29.3
321.68124	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	381.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.23376	2.1
71.01385	27.7
75.00893	2.7
84.95129	4.9
85.02927	3.7
89.02439	33.1
95.21663	2.3
96.96012	11.0
101.02442	13.8
109.02993	3.5
113.02452	11.4
117.05604	3.9
119.03488	9.1
148.73170	3.1
153.01947	3.9
158.06099	3.3
161.02513	3.6
161.04625	3.5
162.02782	3.0
179.05608	6.0
195.40869	2.8
202.05246	2.9
217.00279	5.8
265.73691	2.5
313.05771	2.9
321.15649	7.9
377.45807	2.7
386.25470	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98583	1.0
59.01392	2.6
60.86872	1.2
69.68577	1.0
103.54144	1.3
160.86156	1.2
174.26056	1.3
178.99539	1.3
184.62027	1.4
221.96536	1.2
250.97083	1.1
257.80283	1.2
299.20209	100.0
381.20593	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90257	1.7
51.55851	1.9
53.91055	1.9
57.23447	2.5
59.01385	100.0
71.01382	27.0
77.41158	2.1
83.01382	4.0
84.95123	5.1
85.02969	9.3
88.64828	2.1
89.02437	32.8
96.96004	3.9
101.02456	18.2
109.02943	3.4
111.39262	2.3
113.02460	13.0
119.03516	12.0
143.16505	2.3
147.32932	2.7
153.01959	9.6
158.06200	3.0
161.04562	2.5
179.05666	14.6
206.16515	2.6
217.00352	5.6
301.83881	3.0
321.15558	15.7
356.83438	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	381.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40650	0.3
57.03455	36.6
57.50912	0.3
59.01385	0.8
65.53642	0.4
68.99823	0.4
87.00874	3.4
117.07106	1.5
121.02914	0.4
133.02954	0.7
133.06618	1.7
134.03755	8.0
135.04521	4.4
137.02472	0.7
143.05029	0.6
146.03763	1.8
159.04520	2.4
161.06097	100.0
162.06604	0.6
169.11815	0.4
177.01949	0.8
178.02771	3.8
179.03497	2.2
219.10306	64.0
275.09296	0.7
293.10394	4.1
335.18655	0.4
381.15579	3.5
381.19778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60592	1.0
59.01393	9.1
81.03471	6.8
120.27515	1.4
123.04515	6.0
146.03799	1.6
154.57066	1.3
159.04518	10.5
172.05228	2.9
173.06084	8.4
175.04073	1.7
176.01204	1.8
187.03998	16.1
200.04803	2.4
201.05571	17.9
209.06033	1.5
210.24049	1.3
217.00305	6.3
224.04706	2.5
229.12279	2.9
236.08398	1.9
237.05722	2.1
238.06328	2.9
248.58919	1.3
253.12463	2.0
255.03006	3.2
257.11868	8.3
258.12619	2.8
266.05859	8.2
267.06635	8.1
269.15680	1.7
270.89838	1.4
279.06436	1.6
280.07327	7.8
281.08194	6.3
283.02530	1.6
291.06528	2.3
293.15549	3.0
295.13589	2.3
309.07718	5.8
310.08636	3.0
311.46625	1.3
312.06555	11.1
337.14514	100.0
363.16342	2.4
381.17233	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	381.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03460	1.4
59.01387	27.7
69.55450	0.8
71.01382	23.8
71.05028	1.2
72.99318	1.7
73.02943	100.0
75.00870	1.9
79.95708	0.8
81.31078	0.7
83.01404	4.6
83.05021	1.4
85.02946	10.6
87.00890	4.8
88.98803	4.9
89.02436	10.9
89.43252	0.9
92.10740	1.6
95.01400	1.2
96.95986	6.3
99.00875	4.6
99.32000	0.8
101.02433	15.2
101.06085	4.4
103.00359	1.0
111.00882	3.7
113.02460	7.9
113.03149	0.9
116.92832	11.2
117.01916	9.3
119.03499	4.7
129.01907	4.5
132.39537	0.7
157.07704	9.5
159.02989	12.3
161.04573	8.5
161.08214	1.0
170.71721	0.9
179.05591	1.0
186.61079	0.8
201.06953	1.1
208.60846	0.9
263.11343	7.0
321.11975	0.9
381.13257	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72544	7.9
56.23055	7.8
57.03447	7.7
59.01390	97.2
61.98806	7.5
72.68401	8.0
85.02927	13.3
93.14581	8.9
111.00860	12.8
114.17889	9.2
121.02900	9.2
145.29285	10.2
174.99272	13.4
201.94350	8.6
207.10085	15.2
209.11842	94.8
217.00436	64.9
219.10010	20.0
247.09572	12.4
249.11015	18.7
276.09830	73.1
305.17505	19.7
307.19095	17.7
327.15811	15.2
345.16965	100.0
379.95932	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	381.1234
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
59.01101	4.8
59.01384	63.5
59.01657	4.2
86.35506	2.4
95.05039	5.1
131.92955	2.7
167.10730	4.0
172.09299	2.5
174.99277	5.4
191.38684	2.6
195.13873	4.6
205.12320	4.4
209.01233	2.9
217.00421	12.1
223.13448	17.1
243.15410	2.9
244.42412	2.6
275.06122	3.1
277.07437	4.7
279.09253	20.4
321.10217	71.0
381.12393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.69070	0.8
57.03463	5.7
59.01381	25.5
69.02641	0.9
69.03455	1.4
71.01379	100.0
73.02933	9.0
81.03450	1.4
83.01382	6.8
83.73373	0.8
85.02962	12.0
87.00890	5.2
87.04505	6.8
89.02453	3.8
89.06075	11.9
92.35811	0.9
95.01392	4.6
99.00907	1.0
101.02442	4.5
105.01949	1.1
110.39726	0.9
112.01689	1.3
113.02461	10.8
121.02956	23.8
134.03764	11.3
135.04510	4.0
161.02560	0.9
161.04413	1.0
161.06078	9.2
163.14093	0.9
165.01907	3.4
179.03545	0.9
182.52797	1.1
215.35902	1.1
219.10255	5.6
233.10333	8.2
237.07631	5.0
279.81372	0.9
293.10452	5.0
381.11920	26.6
381.16238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67499	1.5
50.76928	1.9
51.02372	1.6
52.31050	1.6
56.14104	1.6
57.03457	3.5
59.01384	43.9
63.19566	1.7
71.01378	100.0
73.02967	13.0
79.33739	1.8
83.01395	8.6
85.02953	12.1
87.00880	3.1
87.04518	9.9
89.02460	4.3
89.06097	9.6
112.01659	2.8
113.02456	11.1
114.39110	2.0
119.05032	2.6
121.02971	23.9
125.02455	2.6
164.78702	2.0
164.80199	1.7
165.01874	2.1
174.99274	2.9
177.09300	3.1
209.11917	2.3
217.00342	3.7
233.10368	8.1
237.07649	7.8
336.78152	2.0
381.11905	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06898	0.2
51.60038	0.2
56.12389	0.1
57.15918	0.1
59.01379	2.9
64.34100	0.2
71.01385	0.2
76.58006	0.2
77.03996	0.2
81.03471	0.7
89.03966	2.8
92.43301	0.2
93.03483	0.2
95.05023	0.2
96.95998	1.3
104.02713	0.3
105.01951	1.0
105.03453	5.8
109.02937	0.7
116.66677	0.2
121.02975	0.8
127.77118	0.2
133.02957	12.8
135.04543	1.0
135.52551	0.2
141.17168	0.2
143.36171	0.2
148.01622	0.8
149.02454	1.5
157.80472	0.2
159.10257	1.9
161.02353	0.3
176.01187	1.2
177.01933	100.0
178.02275	1.0
199.10466	0.2
238.46469	0.2
321.94513	0.2
344.22891	0.2
357.93082	0.2
381.08368	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82823	1.1
55.01887	1.7
55.08445	1.3
57.03455	12.6
58.99611	18.1
59.01384	33.7
61.98829	3.6
71.01373	24.3
71.48440	1.1
72.99304	8.3
73.02943	7.7
75.00871	2.3
78.74080	1.3
83.01397	6.6
85.02949	59.3
87.00864	34.0
87.01357	1.5
88.04041	1.5
88.98838	1.8
89.02438	11.1
96.95992	7.1
97.06598	15.4
99.04513	3.5
99.81573	1.5
101.02431	20.5
102.98595	100.0
113.02466	13.7
119.03482	2.7
131.01723	47.6
136.14780	1.4
146.08249	3.2
153.77397	1.5
159.03003	1.8
159.06630	11.2
161.04539	11.0
175.15668	1.4
179.05682	1.5
218.10384	1.5
249.06111	16.7
283.04941	90.0
381.08792	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	381.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
59.01663	0.4
63.73081	0.2
64.59037	0.2
66.70693	0.2
70.26511	0.2
71.01387	0.2
75.00858	0.3
77.84851	0.2
78.95881	0.2
80.25240	0.2
81.03466	0.5
82.59351	0.2
85.02952	0.2
89.03960	3.0
96.96029	2.2
103.25024	0.2
104.02690	0.4
105.01957	1.0
105.03455	4.7
106.06240	0.2
109.02970	0.3
113.02473	0.3
133.02966	12.2
135.04506	1.0
138.41327	0.2
148.01714	0.4
149.02408	2.0
159.10278	4.5
176.01137	1.2
177.01945	100.0
178.02280	0.5
231.10268	0.3
257.36047	0.2
315.34409	0.2
381.08270	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	379.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
58.00589	1.3
59.01383	69.3
69.03463	1.0
71.01380	25.3
73.02940	42.2
83.01375	8.8
85.02966	5.2
85.06586	19.5
87.00871	1.6
89.02426	6.5
99.00885	1.0
101.02437	28.6
113.02457	6.5
113.06116	7.4
115.07656	4.2
116.32236	0.8
125.02422	0.9
127.07638	3.4
130.30562	0.8
131.07137	54.3
135.32910	1.0
135.89063	0.9
157.08699	6.2
161.04552	1.8
177.26924	1.0
225.28975	0.9
228.91588	0.9
285.08871	1.3
293.12524	7.5
335.13541	100.0
336.13797	1.2
345.51096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28786	73.4
54.82251	77.6
57.74682	67.2
60.13503	72.6
89.18512	83.7
112.16709	75.0
132.70361	82.8
152.83028	100.0
245.82080	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1566
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
59.01385	36.9
61.98841	8.3
65.13243	1.2
71.01386	42.8
71.05028	10.6
75.89207	1.2
81.31887	1.4
83.01469	1.3
83.33691	1.4
85.02966	5.2
88.04071	6.2
88.10289	1.4
88.61418	1.5
89.02431	11.1
92.10865	2.9
96.95994	2.7
101.02451	11.5
111.95436	1.4
113.02454	3.2
116.07214	2.5
117.46821	1.4
119.03517	6.8
119.05046	2.3
135.04533	31.2
135.67351	1.4
136.04858	32.8
144.27431	1.6
146.08250	67.6
161.04590	1.5
162.57767	1.4
163.04019	2.9
168.30324	1.5
177.54716	1.8
179.03502	22.0
180.03850	27.6
218.79225	1.5
282.98914	1.7
308.13556	6.4
342.09354	5.5
380.15662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
61.98834	100.0
84.00893	0.4
89.45533	0.4
92.10777	1.8
109.65254	0.4
135.60947	0.4
201.11186	0.5
245.53308	0.4
248.44849	0.4
256.20847	0.5
268.11517	0.4
356.87857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.0
58.99612	15.5
59.01378	21.6
61.98830	26.6
71.01379	13.9
71.05016	1.8
73.02946	3.1
76.56654	1.7
78.95876	1.6
83.01389	1.9
85.01182	16.3
85.02965	9.9
87.00872	18.4
89.02458	6.9
93.40468	1.5
96.96007	22.9
98.94984	2.9
98.95583	25.5
98.96265	1.8
101.02454	10.2
102.98590	100.0
113.02469	8.4
115.04002	10.7
115.92097	3.1
116.92854	18.6
119.05003	2.7
121.02962	2.8
129.00159	27.8
129.01836	2.6
134.03711	2.8
135.04533	15.3
153.01913	1.9
161.04547	8.9
163.03993	2.9
179.03450	15.3
181.05167	2.2
201.01727	6.7
249.06197	9.1
283.04950	55.1
364.01849	1.8
379.03503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44078	0.7
54.23120	0.7
59.01384	18.7
59.92182	0.9
61.98841	100.0
69.28452	0.8
71.01390	7.5
78.95925	3.8
79.85361	0.7
83.01410	0.9
85.02969	1.5
89.02439	7.1
96.96012	27.6
96.96947	6.5
97.33860	0.8
101.02467	4.1
109.02962	26.7
113.02463	4.6
114.05648	1.9
119.03545	1.6
123.04533	1.0
135.04518	4.0
136.04866	1.4
148.97395	0.8
152.01155	5.9
153.01949	58.9
156.06696	3.6
167.03514	1.4
179.03616	3.0
180.03902	1.9
195.02995	23.1
220.69182	1.0
249.43048	1.0
255.05150	17.7
315.07260	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
56.28305	0.4
57.03458	0.4
58.00605	0.5
59.01385	100.0
71.01385	9.9
83.01368	0.5
85.02957	3.7
87.00945	0.4
89.02451	8.2
95.01384	0.8
97.59556	0.4
101.02442	4.5
113.02452	6.8
119.03503	4.0
119.04986	0.7
129.28979	0.4
137.09717	0.7
143.03568	0.6
144.67888	0.4
151.11263	2.4
155.10794	28.4
156.45518	0.4
160.21536	0.4
161.04541	0.7
165.12816	0.6
169.12277	0.8
179.05603	2.6
179.10793	12.3
191.10754	0.6
197.11871	1.7
209.11885	4.3
221.11949	0.7
278.07202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52991	0.6
59.01377	4.9
60.32830	0.5
64.29095	0.7
67.82069	0.6
82.95425	1.4
103.46253	0.6
133.02945	5.5
134.03807	1.1
135.04529	100.0
161.02452	20.0
163.04027	0.7
177.01924	1.7
177.05608	0.8
179.03506	79.2
221.04640	1.0
225.07516	0.7
281.06830	0.9
307.37234	0.7
316.55234	0.7
341.08798	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	377.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.4
57.03695	0.9
59.01381	10.2
64.57918	0.8
70.71165	1.1
71.01377	2.3
73.02952	2.1
73.98505	1.0
78.95901	39.1
79.95771	1.5
83.01408	1.3
85.02969	2.1
89.02462	5.2
96.96010	100.0
96.96964	61.5
97.11920	1.0
98.95595	6.4
99.04510	1.5
101.02441	87.2
113.02472	3.6
117.00555	0.9
117.01972	1.9
119.03473	1.6
135.04530	6.7
159.02971	1.5
179.03519	7.4
179.05641	1.7
183.02725	2.2
265.70428	1.0
341.11176	1.6
350.66223	1.3
367.67978	1.1
377.08780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0673
Annotation	ANASTATIN A
Peak:m/z	Relative Intensity
53.50454	1.9
54.24841	1.6
59.01380	12.7
68.75580	1.9
85.02909	2.4
92.10167	5.3
95.28084	1.8
104.49409	1.9
117.03365	1.9
119.05020	100.0
120.05403	2.3
133.03004	4.5
145.02954	4.1
157.02936	2.7
161.02538	2.2
173.02406	3.6
181.03136	2.3
185.02478	9.8
201.01970	23.7
212.01117	2.6
213.01947	34.4
229.01428	26.2
230.02571	2.2
248.98958	2.6
257.00952	51.0
271.02493	3.4
301.54361	2.2
335.20950	2.1
347.07373	2.1
377.06680	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52991	0.6
59.01377	4.9
60.32830	0.5
64.29095	0.7
67.82069	0.6
82.95425	1.4
103.46253	0.6
133.02945	5.5
134.03807	1.1
135.04529	100.0
161.02452	20.0
163.04027	0.7
177.01924	1.7
177.05608	0.8
179.03506	79.2
221.04640	1.0
225.07516	0.7
281.06830	0.9
307.37234	0.7
316.55234	0.7
341.08798	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	377.0671
Annotation	ANASTATIN A
Peak:m/z	Relative Intensity
50.52113	0.6
59.01389	3.0
69.08377	0.7
74.69270	0.6
81.90462	0.7
87.00890	1.4
92.10770	3.0
93.03458	14.6
113.03960	1.3
117.03534	0.8
119.05025	95.4
129.03490	1.2
133.02905	1.2
137.97897	0.7
141.03456	0.7
145.02980	3.0
156.02162	1.1
157.02943	7.8
161.02434	5.9
163.04010	3.9
169.02972	1.0
171.10376	0.8
173.02441	3.3
185.02441	14.5
201.01947	20.8
212.01172	5.3
213.01958	45.5
213.36760	0.8
215.03484	1.5
227.03403	1.2
229.01463	19.1
231.02986	1.4
240.00693	3.5
242.02200	4.9
243.03024	8.4
256.00241	6.2
257.00943	100.0
270.01663	3.2
271.02505	38.1
272.03009	0.9
275.01990	1.1
283.02533	12.1
285.05859	1.0
377.06699	91.3
378.06714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.7
60.16732	0.6
62.87030	0.7
65.73967	0.7
71.01365	7.0
73.02946	1.1
85.02951	1.1
87.00873	1.0
89.02456	8.3
92.10126	2.8
97.78996	0.9
101.02448	4.1
109.02981	2.1
111.00939	1.0
113.02477	3.8
133.02948	28.7
134.03723	2.1
135.04530	42.2
137.02429	0.9
147.04553	1.1
148.05319	1.1
149.06110	7.8
151.04025	1.4
151.06638	1.3
161.02454	100.0
171.10272	1.8
175.03955	6.8
177.05550	6.3
178.78381	0.9
179.03523	28.3
189.05551	1.4
203.03552	24.7
215.09308	6.1
216.08923	1.1
221.04591	5.8
233.00267	0.9
233.04561	4.3
251.05699	2.1
257.11597	1.9
281.06683	8.8
333.72336	1.0
339.06128	4.4
341.08792	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55525	0.4
54.19282	0.4
57.87222	0.4
59.01385	100.0
104.53036	0.5
138.31285	0.5
168.87634	0.4
215.75015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46490	6.4
52.61452	7.5
63.35516	7.3
68.31509	8.2
77.72906	8.0
78.95889	100.0
79.10131	9.0
96.96981	18.0
97.53271	8.4
130.61992	9.4
134.31891	8.4
163.76746	9.2
191.48489	9.2
204.82596	8.0
397.11621	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	377.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82294	0.6
59.01387	10.7
60.94398	0.5
60.96253	0.5
71.01383	4.2
72.99295	0.5
73.02943	1.2
75.00896	0.7
78.18605	0.6
82.11393	0.5
83.01390	0.6
85.02961	0.9
87.00872	2.2
89.02454	2.6
96.96010	0.9
101.02453	2.5
106.31658	0.5
107.04990	0.5
109.02982	0.7
113.02429	2.5
119.05013	2.6
119.42135	0.6
121.02940	1.3
124.99469	0.6
129.01926	0.9
133.02977	11.1
134.03743	2.7
135.04521	100.0
149.06102	2.3
161.02444	44.2
163.04015	3.3
175.03992	2.2
177.05582	2.5
179.03502	97.9
189.05460	0.6
189.08348	0.5
195.04974	0.7
203.03510	7.8
221.04593	2.1
231.74574	0.5
235.71819	0.7
281.06662	1.3
341.08774	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27396	0.6
54.53637	0.6
58.26160	0.6
59.01384	100.0
61.98842	2.7
65.69519	0.6
68.37930	0.7
79.66749	0.6
119.47653	0.8
146.90422	0.7
174.99228	4.0
217.00299	7.7
233.11324	1.1
375.24817	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	375.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10992	1.3
59.01389	100.0
79.95756	2.1
83.05016	1.5
92.10102	3.0
114.97892	1.4
127.59494	1.4
135.04590	1.9
158.62895	1.5
174.99228	6.1
179.92552	1.4
180.59267	1.5
213.12906	1.7
217.00392	12.1
224.88020	1.5
257.15439	2.4
279.17679	1.9
297.18649	2.1
357.01355	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12758	13.7
58.66736	13.8
59.01393	75.7
78.95920	100.0
90.05544	14.3
96.96975	25.2
124.58484	14.4
130.18248	15.4
131.76357	15.2
152.49426	15.9
156.18721	15.3
180.75888	18.6
184.37685	16.4
239.45461	17.6
372.74152	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	2.3
69.22079	0.9
77.00567	0.9
106.61095	1.2
127.81516	1.0
136.63908	1.1
144.77435	1.4
266.13358	1.1
307.88126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61480	1.5
59.01386	2.7
78.95904	20.6
82.62898	1.9
94.42869	2.2
94.91500	2.3
96.96984	3.6
149.58339	2.1
159.08453	13.9
161.06386	3.2
176.03484	2.1
215.18605	2.4
253.87469	2.3
277.07675	2.2
289.07455	2.9
291.09137	96.4
292.09424	2.3
326.78821	2.2
326.82645	2.4
359.15393	100.0
375.18454	9.4
375.26761	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99290	0.5
55.47609	0.6
61.12530	0.5
65.37324	0.5
74.99081	3.2
78.95911	4.6
80.28659	0.6
93.00130	1.2
96.96969	0.7
100.67254	0.7
112.93568	0.7
134.32701	0.7
149.00970	1.1
159.08487	14.8
161.06389	4.9
161.22549	0.7
181.67787	0.6
183.70952	0.6
184.95731	0.7
209.01265	3.4
217.07288	1.1
244.54257	0.8
277.07574	3.2
279.23248	3.7
289.07596	1.2
291.09152	89.6
292.09445	0.9
293.39142	0.7
309.10281	1.5
359.15436	100.0
360.15524	0.9
367.88062	0.7
375.18491	5.8
375.26379	0.7
377.16754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45798	6.8
59.01379	100.0
61.98841	24.6
67.92303	6.0
85.31719	6.7
157.57536	7.0
174.99236	45.3
217.00339	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06656	0.9
55.48155	1.0
59.01385	34.3
61.98829	2.1
65.40033	1.1
71.31686	0.9
80.91670	9.0
92.10080	2.6
95.05020	39.3
147.04288	1.3
176.32068	1.2
189.05354	2.1
195.13939	13.3
199.83179	1.3
200.39536	1.3
217.00346	5.4
223.13408	11.1
246.12337	8.4
256.13327	1.8
275.20212	6.7
278.11383	78.3
293.21274	100.0
315.19382	17.6
338.12268	2.4
375.21561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37658	0.7
59.01393	13.1
64.34840	0.7
66.85255	0.6
71.01384	8.1
79.73415	0.7
80.91689	10.0
84.05855	0.8
90.06496	0.7
120.10880	0.8
127.07653	0.8
137.50563	0.9
164.08417	0.8
174.99304	1.5
177.09239	5.8
192.11584	10.1
205.12405	5.3
207.13895	0.8
217.00398	5.5
217.08629	0.8
218.09581	3.4
220.14708	43.4
221.15485	100.0
224.92207	0.9
233.90515	0.8
236.10548	72.2
293.17590	27.2
318.09653	0.7
342.11041	0.8
375.17963	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98842	3.4
63.88558	0.6
68.97950	0.8
69.73866	0.6
71.01401	2.9
72.03369	0.6
72.99324	3.0
73.02966	0.8
75.59335	0.6
82.95432	1.0
85.02960	0.9
95.85101	0.8
96.96017	6.8
97.82922	0.7
99.00896	1.0
101.02454	1.0
107.05035	1.1
108.02184	11.8
109.02953	1.2
120.02161	1.4
120.05388	0.7
123.04552	7.4
133.02977	1.6
135.04518	0.9
138.03241	6.6
139.04008	2.8
147.04584	1.3
151.04048	2.7
152.01149	12.4
153.01991	0.9
153.05585	61.7
161.04546	2.7
167.03497	17.5
195.03047	1.3
195.05051	1.2
213.04202	1.1
217.00281	1.4
277.02896	0.9
295.08392	1.3
307.56314	0.7
329.08841	2.8
339.07126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
62.55350	0.9
63.92767	0.7
67.38283	0.7
69.45616	0.8
77.93671	0.8
91.83008	0.7
110.00095	8.6
111.00892	4.7
113.90749	0.8
119.01355	1.0
121.02969	3.2
125.02445	5.1
131.01344	6.3
132.02174	11.0
133.02948	3.5
137.85738	0.8
137.99574	7.6
139.00377	98.1
147.00890	15.3
147.04475	1.2
148.01686	6.0
151.03960	1.2
153.01945	41.2
154.02731	100.0
160.01659	6.4
161.02380	3.2
163.04005	1.5
165.01970	1.1
167.22366	0.8
168.04247	4.0
169.05066	45.4
175.00378	52.3
183.06650	0.9
190.02736	29.5
191.03519	5.1
192.04170	1.4
198.79712	0.9
205.05081	18.4
207.02997	7.7
217.00299	4.8
222.05489	2.0
226.02693	5.2
227.03557	1.8
241.05057	4.7
242.02145	1.2
242.05891	1.2
245.04495	1.2
254.02214	1.8
255.03049	1.0
257.04559	3.7
269.04593	5.9
272.06683	1.0
285.03958	4.2
313.03458	1.7
328.05978	19.9
329.06488	1.6
343.08316	36.4
360.08459	1.1
375.10889	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	375.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83091	0.6
54.82248	0.6
56.78513	0.6
59.01387	10.2
59.18066	0.7
59.31392	0.8
66.14182	0.6
67.00150	0.6
71.01376	1.3
72.99301	0.7
82.84090	0.7
85.02969	0.9
87.00883	1.4
88.53128	0.6
108.02195	1.0
117.03434	0.8
119.04987	1.0
121.02946	3.2
124.78130	0.8
133.02934	1.6
134.03735	3.4
135.04512	8.5
145.02945	4.0
147.02989	3.1
147.04503	6.6
148.05304	1.3
149.06061	3.7
150.03195	1.1
159.04504	1.2
161.02484	0.9
163.03963	1.5
174.03394	0.9
177.05579	1.1
179.03543	1.0
195.05127	1.0
206.07237	1.2
211.07634	1.4
213.05637	1.1
223.07640	2.9
224.08453	8.1
225.05569	1.4
235.07632	2.7
236.08502	0.9
237.05675	1.1
239.07063	3.1
240.07854	0.9
241.05078	1.0
242.05789	2.9
250.06468	0.9
251.07114	11.4
252.07840	8.0
263.07144	4.9
264.07932	11.8
265.08670	3.3
266.05957	1.2
267.06601	12.7
268.07416	71.1
269.04498	0.8
269.07764	1.2
270.05310	5.9
279.06653	16.7
280.07361	19.6
282.05338	1.2
283.09763	100.0
284.10443	0.8
285.07678	3.7
295.09769	33.2
303.22980	0.7
313.10916	2.8
315.08569	0.9
330.30615	0.8
348.50998	0.8
361.36969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03460	3.4
59.01382	6.8
62.84566	0.4
67.08638	0.4
71.01390	1.1
73.02971	1.0
77.03971	0.7
83.05065	0.5
85.02966	0.9
89.03963	0.5
92.10936	0.5
93.03477	0.7
95.05039	1.2
105.03461	6.3
106.04291	0.7
107.05048	0.9
108.02204	2.0
109.02967	0.5
109.06588	0.6
119.05003	0.6
120.99688	0.8
121.02975	0.7
122.03694	0.7
123.04562	1.2
125.09711	0.5
129.22475	0.5
133.02956	42.6
133.87958	0.5
134.03743	19.9
135.04526	100.0
137.02446	6.9
139.04047	3.1
146.03760	2.3
149.02449	2.2
149.06099	2.7
150.03224	6.9
161.06078	2.5
163.03966	0.7
164.04794	1.0
165.05557	4.3
171.10260	3.9
177.01932	18.4
177.05510	0.6
178.02710	9.6
179.03499	38.4
179.07025	4.8
193.05080	6.0
195.10286	2.2
213.09349	0.5
233.04536	4.0
239.03307	0.6
241.74887	0.6
283.10037	0.6
302.38986	0.6
327.08963	3.7
327.12289	0.8
339.08707	1.0
357.09857	2.8
375.16458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24445	0.1
59.01382	1.6
77.03979	0.4
84.50197	0.1
85.02967	0.2
85.97129	0.2
89.03959	0.4
91.05522	0.2
93.03480	0.4
95.05032	0.8
95.89744	0.2
102.33781	0.2
104.58186	0.2
105.03458	3.5
106.04261	0.3
107.05037	1.2
108.02184	0.7
113.02504	0.2
117.03458	0.6
119.05013	0.2
121.02958	0.8
123.04556	0.6
128.00143	0.2
133.02962	21.9
134.02704	0.3
134.03752	10.9
135.04529	100.0
136.04872	0.7
137.02437	3.4
139.03987	1.1
146.03764	0.7
149.02470	0.3
149.06094	1.8
149.36072	0.2
150.03247	2.3
151.03979	0.3
161.02530	0.2
161.06117	1.0
163.04036	0.2
164.04730	0.3
165.02029	0.2
165.05548	1.0
177.01949	12.0
178.02734	8.7
179.03510	50.5
197.83058	0.2
205.05057	0.7
233.04561	3.2
237.64415	0.2
253.34665	0.2
267.56372	0.2
283.09802	0.2
327.08780	2.9
339.08710	1.8
357.10046	0.7
375.11520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58376	0.5
52.68303	0.5
59.01381	9.5
61.91359	0.6
61.98839	1.0
65.03967	6.0
66.86386	0.5
67.01897	3.2
71.01379	0.8
71.30819	0.6
71.59689	0.5
78.95899	0.6
81.03465	0.6
82.50487	0.6
83.05055	0.6
84.95114	1.0
87.73557	0.6
92.10813	1.5
95.01354	0.7
96.96014	4.2
97.02969	0.8
99.04470	0.7
101.02406	0.9
108.02184	5.0
109.02951	74.2
111.04523	2.6
113.02433	0.8
121.02975	1.2
123.04522	1.3
133.02942	2.6
137.02492	0.8
139.04010	3.2
149.02458	1.3
151.03973	0.7
152.01199	0.8
153.01941	100.0
153.05495	4.7
154.02238	0.7
161.04510	0.7
165.01949	0.9
167.03487	14.7
174.13353	0.7
175.86818	0.6
177.01944	20.3
195.01369	0.8
195.03008	10.8
195.04784	1.0
255.05119	1.4
271.68649	0.6
315.07358	1.5
327.34341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25375	0.3
54.82773	0.5
59.01386	2.2
61.98835	100.0
72.73767	0.4
92.10194	0.6
174.99191	0.5
217.00290	0.9
284.16907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59479	0.2
59.01382	4.2
59.88731	0.2
60.16019	0.2
71.01388	2.8
75.00880	0.9
78.95899	28.4
79.95721	2.1
84.93848	0.2
85.02966	1.1
89.02425	2.7
92.20173	0.2
96.96017	100.0
96.96965	46.6
101.02440	0.9
113.02472	0.5
119.03500	0.6
121.75051	0.2
129.01968	0.4
135.04506	2.3
137.02469	0.3
145.03036	0.5
149.02428	1.0
150.03189	1.8
151.04031	0.4
153.01997	0.5
159.03046	0.5
161.02452	0.5
162.03244	0.3
165.05562	1.7
179.05594	0.4
186.11275	0.2
195.05084	1.9
195.06676	0.4
238.87984	0.3
310.10999	0.2
375.09302	1.1
383.50320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26557	0.6
57.50783	0.6
59.01411	3.0
61.98835	100.0
69.08274	0.7
92.38480	0.8
94.49978	0.7
111.75485	0.8
113.60702	0.7
140.54753	0.8
147.45993	0.7
160.38129	0.9
217.00363	1.8
306.83643	1.0
334.55719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66372	0.7
57.03451	0.8
59.01386	12.9
59.40687	0.7
72.08542	0.6
76.10245	0.7
80.91685	4.3
82.05917	0.7
93.03467	3.3
97.06606	0.8
111.63101	0.8
117.77633	0.7
147.03018	1.4
165.11552	1.4
165.12851	28.1
191.14439	0.8
207.65582	0.9
228.26152	0.8
244.10791	4.2
247.20717	17.0
273.18604	7.4
291.19687	100.0
292.19962	1.3
313.17932	14.7
325.61774	0.9
373.20065	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	374.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47268	0.3
59.01391	5.2
61.91686	0.3
61.98833	100.0
69.53473	0.4
71.01376	0.6
71.18562	0.4
79.25014	0.4
89.02444	1.0
92.10169	0.5
98.86645	0.3
118.00111	0.4
119.04953	0.4
133.02919	2.0
287.31989	0.4
374.35886	0.5
397.50757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.72445	1.2
55.01878	8.3
55.35884	1.4
57.03450	3.8
59.01080	2.1
59.01381	61.4
64.54703	1.5
71.01376	28.0
72.99321	2.5
73.02947	12.1
74.76651	1.4
83.01386	17.0
85.02942	23.1
86.00098	1.8
87.00879	1.9
89.02422	3.6
95.01402	2.2
99.00878	2.9
99.87202	1.5
101.02431	32.6
111.00873	1.8
113.02448	8.3
114.38864	1.7
119.05061	1.6
123.14246	1.8
125.01073	1.6
147.03035	12.1
171.10229	1.9
199.07983	1.9
211.13422	1.6
223.00909	1.6
253.02397	2.0
373.18707	100.0
373.25705	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	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.25353	0.4
55.01876	1.6
57.03457	0.6
57.57979	0.4
59.01382	100.0
62.22215	0.4
63.19558	0.4
70.21201	0.3
71.01379	13.8
71.01775	0.4
72.99303	0.4
73.02937	4.3
80.53728	0.4
83.01382	2.1
85.02948	6.3
86.37618	0.3
87.00876	0.6
89.02429	4.7
91.95502	0.4
95.01379	0.8
96.12872	0.3
99.00866	0.8
101.02443	5.7
113.02449	4.4
113.98877	0.4
119.03460	1.0
120.99644	0.6
134.93175	0.3
137.02412	0.7
137.28519	0.3
140.29753	0.4
144.38841	0.4
145.92017	0.5
147.03012	0.9
159.02979	0.4
161.04570	2.7
183.04489	0.6
187.04070	0.6
241.05084	0.5
255.02885	1.8
280.90823	0.4
329.06671	2.9
331.17676	3.4
349.78293	0.4
373.17130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37230	9.3
53.36632	9.2
53.36895	10.1
54.82700	11.2
59.01397	42.0
61.98839	100.0
72.99293	12.9
75.45105	13.9
84.07475	11.2
85.02940	23.3
92.10858	27.1
147.02972	77.0
163.03992	19.3
173.31131	10.9
190.16287	13.7
228.88910	15.5
335.22360	17.6
342.26819	11.9
392.01669	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.4
57.03464	7.4
58.30427	1.2
59.01384	61.1
61.71212	1.1
61.98831	9.4
65.03960	1.4
67.01917	1.3
71.01377	46.1
72.99319	3.0
73.02950	11.1
73.99371	1.5
75.00513	1.4
75.00861	10.1
78.91863	1.7
81.03465	1.4
83.01395	8.6
85.02946	24.3
87.00912	1.5
89.02441	21.1
92.44228	1.3
93.03469	3.3
95.01375	6.6
96.96027	5.7
99.00890	2.3
101.02428	21.5
105.03475	1.7
106.04243	5.8
107.04297	2.4
107.05029	72.9
108.02177	21.7
109.02937	3.0
111.00827	2.2
113.02460	14.1
119.03506	6.2
119.05010	11.5
121.02926	3.1
122.03731	2.5
123.00882	8.4
123.04506	11.7
124.01660	3.2
125.02393	1.9
129.01942	2.0
133.02951	28.1
134.03770	5.8
136.01669	1.5
137.02444	9.5
137.06059	1.8
140.13374	1.4
147.02994	2.9
149.02452	7.9
150.03223	15.1
151.00313	2.6
151.04008	47.8
152.01144	2.5
161.04555	12.5
165.01892	6.1
165.05602	1.7
167.03552	2.6
177.01971	6.0
177.04037	2.0
178.02725	77.9
192.99716	2.8
193.01431	57.9
193.05072	100.0
195.03023	8.5
195.05089	6.8
211.02451	2.2
313.09241	6.6
358.88318	1.3
369.47708	1.3
373.07547	18.0
373.11572	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	373.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01389	3.9
61.98839	0.7
66.21854	0.4
71.01376	3.0
72.99320	1.7
73.02952	0.6
75.00873	9.3
76.57551	0.4
77.03965	0.7
78.95909	2.1
81.03456	1.0
82.95405	0.4
83.01387	0.5
85.02962	3.5
87.00886	1.8
89.02451	0.5
93.03445	1.0
95.05009	3.8
96.96038	2.9
96.96974	4.6
99.00891	1.7
101.02464	0.9
105.03468	14.0
107.05059	4.1
108.02216	0.5
108.94768	0.4
109.02969	6.0
113.02452	0.7
121.02966	4.0
123.00910	0.8
123.04534	7.3
125.02434	3.4
127.94538	0.4
129.01953	2.4
132.02179	0.6
132.70627	0.5
133.02960	100.0
135.04558	0.7
149.02435	0.8
149.06047	0.5
150.03195	0.5
151.00385	1.9
151.04012	7.5
153.01941	2.1
159.03000	1.0
161.02557	0.5
167.03513	1.9
173.04512	0.5
177.01929	4.2
177.04088	6.0
177.05536	0.7
193.01434	0.7
195.03000	33.7
195.05084	6.8
224.15001	0.4
226.46951	0.5
273.18414	0.4
283.98166	0.5
313.05701	4.9
355.06924	0.7
373.07623	0.8
397.31253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11720	0.7
55.01893	0.8
57.03470	0.7
59.01384	41.1
61.98839	6.8
68.79028	0.6
70.99504	0.8
71.01377	15.0
72.99329	4.0
76.64171	0.8
77.63612	0.8
78.91902	1.1
81.03452	0.8
85.02979	5.2
89.02435	16.6
92.10394	1.3
95.01421	3.2
96.96084	0.8
99.00873	0.8
101.02406	7.8
108.02180	16.8
111.00897	1.0
113.02484	4.1
119.03506	4.9
119.05021	6.4
121.02995	0.8
122.03723	1.8
123.00871	6.7
123.04504	10.6
124.01685	5.2
125.02445	1.6
127.74683	0.7
133.02934	3.9
134.03780	1.2
136.01706	1.1
137.06111	1.2
147.03011	3.2
149.02432	4.9
150.03226	13.1
163.04004	0.9
164.04846	1.1
165.05521	1.1
166.24144	0.9
168.90535	0.8
177.01941	4.9
178.02719	75.1
193.05066	100.0
195.05138	1.5
210.02756	0.8
258.80701	0.8
323.42807	0.9
373.11615	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	373.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61462	0.7
52.06055	0.8
53.17192	0.7
54.82980	0.8
55.01880	0.8
57.03452	5.7
58.29578	0.7
59.01384	13.2
61.98838	1.3
65.35575	0.7
68.99834	0.8
69.03438	1.1
71.01368	7.8
72.99287	8.2
73.02981	1.0
73.53687	0.9
75.00865	15.8
77.43874	0.9
77.45374	0.8
81.03458	3.2
82.95413	39.6
83.01400	3.7
85.02941	9.2
87.00896	3.7
91.01863	6.3
92.75479	0.8
93.03441	1.4
95.05048	2.0
96.95992	1.4
99.00869	7.5
101.02456	3.7
101.99509	0.9
105.03453	11.2
107.05028	6.3
108.02167	9.0
109.02943	100.0
111.00878	3.8
111.04528	1.1
113.02422	8.1
115.00376	1.9
121.02963	3.7
123.04512	13.3
125.02459	1.1
127.00371	1.3
129.01924	21.0
133.02945	78.9
134.03784	1.0
149.02452	2.1
149.06097	1.0
151.00354	3.2
151.04022	6.6
152.01166	3.4
153.01933	36.1
159.02966	4.1
167.07085	1.9
173.04543	11.2
177.01912	5.6
177.04027	5.4
181.05014	1.3
191.03552	1.3
193.01407	4.9
195.03012	30.3
195.05043	5.3
198.53470	0.9
235.02463	3.6
313.05692	82.7
373.07535	2.0
373.11703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66844	0.4
57.03465	0.5
59.01396	2.6
71.01398	2.5
75.00887	1.1
78.95903	57.5
79.95748	1.2
81.03531	0.5
85.03000	1.1
89.02435	0.8
92.10788	1.0
96.96026	100.0
96.96975	86.8
108.02174	1.0
109.02940	7.7
113.02474	0.9
121.02975	1.1
122.20245	0.5
123.04514	0.8
125.02434	0.6
129.01978	1.0
133.02988	3.3
137.02299	0.5
151.04042	0.7
153.01935	0.9
195.02992	1.2
195.05087	4.4
209.80753	0.5
301.74384	0.5
313.05771	3.2
349.63684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61155	0.2
59.01409	0.3
76.02565	0.2
77.56362	0.2
78.95904	33.1
79.95734	2.2
96.96030	100.0
96.96973	50.8
99.00892	0.2
109.02969	1.3
125.02464	0.4
132.02466	0.2
133.02956	0.3
151.03998	0.3
162.06407	0.2
162.41850	0.2
179.49026	0.2
195.05099	0.8
225.06204	0.2
236.63918	0.2
249.15898	0.2
257.35208	0.2
333.14297	0.2
373.07776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15034	0.2
59.01365	0.2
61.98835	100.0
63.05304	0.2
69.07996	0.2
78.91901	0.3
97.79009	0.2
128.03241	0.2
168.30782	0.2
274.51962	0.2
342.67599	0.3
343.64230	0.2
373.90970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52984	65.2
84.94704	63.0
92.07289	72.1
147.03052	100.0
156.85880	73.1
206.25626	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14720	53.6
56.24765	58.9
61.98822	61.8
63.55270	54.6
67.45986	56.7
79.70036	57.8
101.68337	69.0
147.02934	100.0
148.27696	63.9
353.08130	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.9
59.01384	4.8
59.68739	0.3
71.01374	0.5
72.99302	9.2
72.99689	0.5
73.02940	1.9
83.05029	0.4
85.02949	24.9
90.20742	0.3
92.10859	0.3
93.03467	1.7
95.82011	0.4
96.96001	5.4
101.01825	0.5
101.02432	4.4
103.04016	1.6
109.02956	0.5
111.00890	0.6
117.03473	1.4
119.05024	26.1
129.01941	14.4
133.02919	1.5
133.84813	0.4
135.03482	0.6
135.04529	16.6
136.04918	0.4
137.02438	0.6
145.02946	9.1
147.03008	100.0
151.47557	0.4
161.02469	3.6
163.04018	29.4
179.03511	8.0
220.42822	0.4
224.98676	0.8
242.99721	3.5
261.05750	0.4
286.08197	0.3
293.06726	8.1
335.07745	5.1
373.02350	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31038	0.1
59.01384	0.1
61.98841	100.0
62.98572	0.1
77.27262	0.1
188.54250	0.1
299.43958	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09443	0.1
55.72363	0.1
55.95963	0.1
61.98837	100.0
83.49015	0.1
95.42319	0.1
97.10588	0.1
205.64981	0.1
341.62656	0.1
344.35040	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	372.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82277	1.1
59.01395	1.0
61.98835	100.0
65.90888	0.9
74.81225	1.0
76.95940	1.1
88.98789	1.4
95.18553	1.0
98.01574	1.1
109.08330	1.1
146.13028	1.4
147.02971	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.72787	0.3
78.33571	0.3
86.80311	0.4
95.02986	0.3
269.30252	0.3
297.89896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92012	0.1
61.98833	100.0
74.81509	0.1
82.39771	0.1
115.37973	0.1
116.59240	0.1
130.32753	0.2
147.03018	0.2
165.91827	0.1
263.29321	0.1
345.49841	0.1
347.50381	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	372.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12439	0.2
61.89789	0.2
61.98839	100.0
62.52239	0.1
64.78082	0.2
75.05256	0.2
82.38016	0.2
190.32426	0.2
216.74179	0.2
375.09146	0.2
376.05884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61396	0.3
59.01382	3.7
61.01798	0.4
61.74113	0.3
61.98831	100.0
62.21823	0.3
68.34980	0.4
71.01388	1.7
72.99306	0.4
73.02961	0.7
75.00861	0.8
78.95889	0.7
85.02966	1.4
87.00865	7.4
88.01215	0.8
89.02437	1.6
93.03445	0.4
96.96019	2.5
96.96974	1.6
101.02454	0.4
107.05019	0.4
109.02933	1.7
123.04524	1.8
133.02924	0.8
134.03725	1.6
134.04720	5.2
135.04503	0.4
136.01639	0.9
149.06087	0.5
149.57756	0.4
151.03983	2.5
152.04344	1.6
152.05629	0.3
191.05663	4.2
192.05917	2.4
195.04950	0.6
226.78380	0.4
236.06459	0.4
281.16772	0.4
301.63095	0.4
309.11969	0.7
372.10138	8.3
399.74121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25618	0.4
59.01383	12.8
59.98547	0.6
71.01377	5.4
73.02941	6.0
75.00878	0.5
83.01400	0.5
85.02956	2.0
99.04520	1.1
101.02453	2.3
112.50374	0.6
113.02467	1.1
135.08224	1.0
163.11374	0.6
167.10789	100.0
171.10284	2.1
176.52921	0.5
181.12390	0.5
185.47411	0.6
191.10799	3.6
202.39691	0.5
209.11909	1.0
221.11926	0.6
304.37405	0.6
371.24066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33696	0.8
55.01883	1.4
57.03481	1.1
58.00622	0.9
59.01389	100.0
69.79556	0.8
71.01392	21.8
71.67065	0.8
72.99310	1.2
73.02969	1.1
83.01392	1.1
85.02973	5.2
87.00861	0.8
89.02450	24.5
92.65631	0.8
95.01408	1.2
101.02454	11.7
108.71855	0.8
113.02455	8.4
119.03502	8.9
147.11786	5.2
153.69836	0.8
179.05714	1.2
191.10791	4.7
246.16968	0.9
255.84711	0.9
280.04428	0.9
371.17200	18.9
371.24301	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.44241	0.4
53.93592	0.7
57.89850	0.5
59.01382	69.0
60.52528	0.5
62.00713	0.5
63.38054	0.6
69.83022	0.7
69.96162	0.7
71.01379	1.0
71.32471	0.6
72.99271	0.7
75.00890	0.6
77.30834	0.6
84.18155	0.6
85.02943	1.5
92.10160	1.2
106.04247	2.7
107.05037	2.4
127.13868	0.6
134.03760	0.8
147.08162	7.3
149.06082	87.5
150.06421	0.6
150.72235	0.6
180.03838	1.1
191.03522	0.8
209.08211	100.0
239.15492	0.6
256.53293	0.7
271.67407	0.7
371.13498	64.8
372.13821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01385	100.0
68.09016	0.5
71.01380	0.7
72.99325	1.4
75.00875	9.6
76.57276	0.6
81.03469	1.3
81.16617	0.6
83.01385	0.9
85.02986	0.9
95.05106	1.1
97.02953	0.6
98.22321	0.6
99.04532	3.7
103.05560	1.4
111.04549	0.7
117.03477	2.4
123.04543	1.4
125.02401	6.9
130.04242	14.4
131.05029	61.8
134.03760	14.1
137.02458	1.0
139.03998	1.1
147.04555	0.9
149.06088	74.1
153.01964	2.6
163.10046	0.7
167.03500	18.3
167.74751	0.6
167.90002	0.6
178.02769	1.1
191.03482	3.7
193.05084	10.1
195.05119	2.5
197.04549	3.6
209.04576	6.4
209.06670	8.3
245.93921	0.6
251.05621	4.1
271.71249	0.7
287.07813	0.8
322.72964	0.7
369.90979	0.7
371.09814	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	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01897	1.9
57.03455	0.9
59.01384	8.9
65.09003	0.4
67.01896	0.6
71.01381	8.2
72.99322	0.5
73.02943	4.2
73.06639	0.3
81.03458	2.3
83.01392	3.8
85.02945	6.4
86.00041	0.5
86.23943	0.4
90.97653	0.4
91.01890	0.7
95.01376	3.2
99.00880	0.9
101.02438	11.7
103.58399	0.5
106.87492	0.4
107.01406	2.2
108.02215	1.0
109.02950	30.9
111.00876	4.0
113.02463	3.8
116.23160	0.4
123.00896	4.1
124.01683	3.4
125.02432	2.5
135.00868	3.0
137.02441	1.6
139.00365	0.5
139.80280	0.4
152.01158	5.5
153.01953	46.3
161.04552	0.6
162.74565	0.4
162.81133	0.4
169.82936	0.4
175.03969	0.4
207.03149	0.4
235.11932	0.5
237.03937	0.5
254.49725	0.5
371.13535	100.0
372.14005	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	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93497	0.1
57.03452	0.2
59.01387	1.9
62.55707	0.1
67.01884	0.2
69.03455	0.2
71.01377	1.0
73.02957	0.4
81.03471	0.4
83.05035	0.7
85.02947	11.4
86.10136	0.1
87.00870	2.3
92.92802	0.6
93.03448	3.6
99.04507	0.4
101.02464	0.1
109.02942	0.7
111.04526	1.3
127.04003	3.4
155.03487	0.1
171.03003	0.8
173.04553	1.1
191.05620	100.0
192.05939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15169	0.1
54.57277	0.1
55.01896	0.2
57.03450	1.6
59.01382	3.7
67.01895	0.3
69.03449	0.2
71.01369	2.9
72.99327	0.3
73.02943	0.3
81.03467	0.3
83.01389	1.0
85.02948	11.9
87.00871	10.1
89.02432	1.2
93.03452	3.5
93.39352	0.1
94.29681	0.2
96.96999	0.2
99.00883	0.6
99.04496	0.4
101.02438	2.2
109.02964	0.7
111.00870	0.2
111.04533	1.3
113.02444	0.3
115.00351	0.2
119.03458	0.4
125.02411	0.2
127.03997	3.0
129.01917	1.7
131.75070	0.2
137.02509	0.2
147.03049	0.9
155.03438	0.2
161.00906	0.2
162.03261	0.2
171.02997	0.6
173.04581	1.4
191.02092	2.9
191.05621	100.0
192.05919	0.8
234.55017	0.2
371.09747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.06981	0.7
52.86345	0.7
59.01384	15.7
61.75861	0.9
61.98835	4.9
64.81355	0.7
67.01885	1.1
67.25040	0.8
71.01378	18.2
72.99319	1.7
73.02943	13.2
73.53446	0.8
75.00891	1.6
75.23976	0.8
78.95910	5.7
81.03445	1.0
85.02943	18.4
87.00871	56.1
93.03455	9.8
96.95993	9.2
96.96928	6.6
97.02947	1.9
101.02415	1.5
103.93726	0.9
108.02208	1.5
109.02958	5.8
111.04535	3.9
113.02428	2.2
123.04486	3.4
127.04009	1.2
131.03488	1.5
134.03757	7.4
135.04524	14.9
136.01651	25.9
137.02461	1.9
146.03729	1.3
149.06046	3.5
151.03995	21.1
155.03546	1.5
161.02440	4.7
162.03271	1.0
163.04007	1.2
164.04791	1.9
165.01959	1.8
165.05568	1.9
172.05212	1.2
173.04547	11.5
174.03174	1.3
176.04753	1.1
177.05595	1.0
179.03555	0.9
179.07127	1.7
181.00647	1.0
191.05620	100.0
193.05040	4.7
204.04288	1.7
207.06703	1.3
209.04803	1.5
209.06700	1.9
219.06558	1.6
235.06071	1.5
284.85248	1.0
353.08881	2.2
371.09869	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02732	0.3
54.82181	0.4
58.08326	0.3
59.01377	0.6
61.98832	100.0
66.08624	0.3
73.08750	0.3
87.12874	0.3
133.92703	0.3
135.94507	0.4
173.78378	0.3
173.88333	0.4
213.67744	0.4
255.97913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68192	0.3
51.52645	0.3
52.90335	0.3
53.79519	0.3
55.01886	1.8
57.03458	5.4
59.01380	6.9
62.01872	0.3
67.01900	0.6
71.01378	12.0
72.99319	1.7
73.02955	1.5
75.00875	1.7
78.95912	2.4
81.33283	0.4
83.01381	4.2
85.02946	11.9
85.18047	0.3
87.00874	25.5
89.02441	6.1
93.03445	3.6
96.96004	2.0
96.96986	0.7
99.00871	1.9
101.02441	12.9
109.02966	0.7
111.00871	0.8
111.04510	1.5
115.00366	3.1
115.86216	0.4
116.31580	0.4
119.03498	3.5
127.04003	2.2
129.01941	6.1
133.01448	3.3
134.03726	0.6
145.05038	0.5
147.03036	3.2
153.91635	0.3
161.00992	0.4
162.90324	0.4
171.02934	0.6
173.04568	1.5
191.02031	12.0
191.05623	100.0
209.06758	0.6
230.60887	0.4
236.63867	0.4
371.09778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2439
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
50.74462	1.1
55.98012	1.1
62.72820	1.0
65.86532	1.1
70.63412	1.1
76.57538	1.3
79.92583	1.3
110.25610	1.3
112.86222	1.1
133.10258	1.8
141.59128	1.2
163.11296	100.0
179.10797	24.2
184.09686	1.5
193.12350	22.6
337.21661	16.8
342.32074	1.4
353.19907	1.3
369.19788	2.2
369.24393	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1447
Annotation	Flumorph
Peak:m/z	Relative Intensity
57.60727	0.2
59.01375	1.3
61.29221	0.2
76.57356	0.2
79.95753	1.1
80.96516	100.0
92.10836	0.3
114.39278	0.3
122.09740	1.7
166.08739	1.4
186.02312	23.1
245.65750	0.3
271.07617	18.1
370.14459	17.1
370.19193	0.6
379.81296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89299	0.1
59.75820	0.1
59.91196	0.1
61.98832	100.0
62.65325	0.1
80.27446	0.1
91.47483	0.1
92.10780	0.4
121.02950	1.2
317.21222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62134	0.5
58.00598	1.1
59.01383	100.0
65.03391	0.6
69.03468	1.5
71.01381	29.8
72.99314	2.6
73.02960	1.1
78.16421	0.6
84.08258	0.8
85.02946	5.2
87.00893	0.7
88.10480	0.6
88.98801	1.1
89.02438	48.9
95.01391	0.8
97.02947	8.9
101.02438	14.9
113.02444	13.4
119.03487	21.6
131.03540	1.0
143.03506	2.3
149.04602	0.8
161.04543	4.7
179.04080	1.4
179.05620	32.7
357.61725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33335	36.6
59.01391	100.0
61.08739	36.2
61.98825	65.5
62.88785	34.6
64.09982	44.5
65.03672	46.8
66.90427	41.0
67.53785	34.1
68.33453	40.8
69.04366	35.4
72.72172	38.0
152.66811	41.9
159.97636	45.7
170.97366	46.2
172.06129	44.0
216.46936	54.4
311.16882	47.7
337.07468	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.22
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
68.13602	0.7
78.95902	100.0
79.47327	0.7
96.96953	28.0
104.87918	0.9
177.79384	1.0
208.81953	0.8
210.73038	0.7
224.29865	0.9
250.33151	0.9
369.22025	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	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	0.5
59.01385	100.0
60.01715	0.5
61.46801	0.5
66.04308	0.5
71.01385	2.6
73.02941	1.1
85.02972	2.9
89.02475	0.8
101.02458	0.9
102.01878	0.5
113.02444	4.3
119.03541	1.1
119.05047	0.7
120.99609	0.6
127.05251	0.5
127.88413	0.5
131.05016	0.8
133.06628	1.0
147.04536	67.4
148.04886	0.7
148.50963	0.5
161.04742	0.8
161.06079	2.3
189.05513	1.2
202.95557	0.7
212.60262	0.6
214.20102	0.5
291.77539	0.7
292.44550	0.7
312.88449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11424	0.2
50.51698	0.2
51.35468	0.2
51.35859	0.2
57.54558	0.2
59.01386	100.0
59.79525	0.2
71.01383	2.7
83.01418	0.3
85.02966	1.1
85.55839	0.2
89.02445	1.2
93.29352	0.2
93.42595	0.3
101.02435	1.0
113.02460	2.9
115.05596	0.2
119.03519	0.6
119.05060	0.3
131.05048	0.3
133.06593	1.0
144.97934	0.3
147.04535	68.9
148.04901	0.5
161.04689	0.6
161.06110	3.3
189.05617	2.3
207.99594	0.3
248.02559	0.2
296.84232	0.3
302.77393	0.3
340.92645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19326	1.4
51.45124	1.3
59.01387	10.9
61.98832	29.1
67.01906	10.0
69.03477	2.4
71.01385	3.4
75.00900	2.8
83.05024	1.8
84.58756	1.4
85.02531	1.6
85.02960	14.6
87.00870	15.0
93.03456	70.9
95.05026	3.8
96.95994	2.2
99.00892	2.3
105.03465	15.6
107.05063	2.5
109.02967	2.3
111.04531	8.4
113.02504	1.8
116.04993	1.8
121.02967	3.3
123.04517	8.4
133.02954	100.0
134.03711	2.0
135.04539	10.2
139.04019	9.9
149.02431	24.6
150.03288	2.1
151.04018	2.5
155.14102	1.5
160.78271	1.9
161.02422	2.7
163.04071	2.7
173.04553	39.5
175.02499	2.8
177.01929	12.2
179.03465	8.1
191.05629	76.1
195.03004	13.1
215.05704	3.5
307.08032	2.8
312.65244	1.5
318.10815	1.7
351.07297	6.7
369.08145	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	367.249
Annotation	Carboprost
Peak:m/z	Relative Intensity
54.81958	1.3
59.01394	16.0
71.01392	2.1
73.27514	1.3
77.11795	1.2
81.03450	1.7
83.05041	2.0
84.02174	36.4
97.02980	3.1
99.04529	14.6
99.08123	4.0
121.02967	1.8
135.08154	1.4
149.09732	9.0
165.12883	2.0
167.10779	100.0
235.13362	3.0
249.14967	1.7
266.34836	1.5
282.44141	1.4
317.21396	11.8
367.24918	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.0
61.98834	100.0
71.16734	0.5
72.31449	0.5
85.83952	0.6
100.55024	0.5
188.00859	0.6
261.63809	0.6
283.83835	0.7
324.00024	0.7
381.82443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77078	0.2
61.98835	100.0
70.65947	0.2
70.69023	0.2
72.81226	0.2
90.93401	0.2
92.10812	0.4
100.68529	0.2
109.10453	0.2
110.00191	0.2
134.72670	0.2
159.96710	0.2
182.57005	0.2
191.59885	0.2
276.99875	0.2
289.47458	0.2
296.79446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2128
Annotation	Spirocardin B
Peak:m/z	Relative Intensity
51.18476	0.5
52.40525	0.5
59.01383	100.0
70.68931	0.5
79.21511	0.7
82.80644	0.5
91.17868	0.5
212.46068	0.6
245.19275	0.8
284.46384	0.6
289.18030	2.3
307.19208	1.3
313.72009	0.6
315.27252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28076	2.0
59.01384	100.0
71.01395	10.6
73.02935	2.2
83.86165	1.9
85.02978	8.8
98.99798	1.8
101.02444	13.8
102.62041	1.7
103.96815	2.0
113.02438	4.0
119.05029	11.9
130.38350	2.1
161.04639	13.7
164.44287	1.8
189.74066	2.0
232.10403	2.1
307.17621	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2127
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
54.83043	0.3
56.75385	0.3
59.01382	1.6
66.00999	0.3
66.24042	0.3
69.03465	0.4
81.03477	0.5
84.82704	0.3
87.04548	0.3
87.81248	0.3
113.06099	0.7
121.92456	0.4
123.04494	0.6
126.31026	0.3
133.02855	0.3
135.04521	1.5
136.04887	0.3
151.11220	0.4
179.03554	0.4
217.12364	0.4
231.17520	1.4
241.15822	0.4
255.17560	0.8
257.15558	0.6
257.19153	1.6
267.17557	0.5
269.01077	0.4
271.17010	1.3
273.18677	1.3
285.18622	7.1
287.16669	0.6
287.20126	0.5
303.19717	2.7
305.21271	1.8
331.19171	3.1
349.20325	1.2
365.19696	2.4
367.21307	100.0
368.21698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51847	1.5
59.01386	100.0
61.98841	1.6
77.08707	1.6
82.79348	1.7
95.96994	1.7
109.14388	1.8
111.27804	1.8
124.60197	2.1
148.59094	1.9
159.65076	2.2
233.03600	1.8
247.23549	1.9
251.62006	1.9
320.04150	2.2
340.32794	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	367.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
58.27943	0.3
58.50194	0.3
59.01389	100.0
62.96629	0.3
71.01396	3.0
73.02961	1.3
83.01394	0.4
85.02956	2.7
86.72690	0.3
91.60943	0.3
95.01381	0.6
95.94559	0.3
101.02457	5.0
111.00879	0.7
113.02457	1.7
129.70081	0.3
140.55986	0.3
145.02954	0.6
145.08714	0.8
161.04570	2.8
163.04013	1.3
183.86090	0.4
187.03897	0.4
307.17642	10.4
337.49194	0.4
388.79236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	0.2
59.01386	0.7
61.98833	100.0
79.67964	0.1
89.87802	0.1
92.10752	0.2
155.51924	0.1
167.10782	0.1
168.13785	0.1
169.14250	0.1
175.46855	0.1
307.20163	0.1
316.25919	0.1
367.24942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1661
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01399	18.7
61.71399	4.1
61.98833	100.0
89.45085	5.4
111.08144	7.0
111.21433	4.9
131.26237	5.9
197.11861	26.3
290.15714	5.2
302.45447	5.0
309.20493	7.8
340.99902	5.1
367.16592	44.6
367.24731	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	367.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02796	4.7
57.03461	25.4
58.33184	6.4
59.01401	12.3
64.33914	4.9
69.76817	5.5
70.47665	5.6
75.00871	100.0
95.01427	6.0
98.56319	5.8
109.06591	10.9
112.60651	5.6
121.06615	8.7
125.09745	8.3
145.06612	5.7
149.06152	6.9
154.37358	6.7
155.86435	8.6
161.09767	9.8
164.08392	8.2
165.09203	66.2
167.28801	6.7
233.15393	11.9
269.19101	92.0
287.20111	20.4
291.19690	10.4
294.88312	6.3
313.18164	38.1
331.19147	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	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17881	0.4
54.82520	0.4
55.01888	2.0
57.03453	4.1
59.01385	31.8
68.99860	0.4
70.24610	0.4
71.01386	21.7
72.99318	3.4
73.02966	0.5
78.96478	0.4
81.03480	2.0
83.01391	1.7
83.05028	0.5
84.02193	0.8
85.02963	37.3
86.42209	0.4
87.00883	0.9
89.02462	3.2
91.08305	0.4
93.03459	3.6
95.01394	1.7
97.02946	0.9
99.00922	0.5
99.04509	0.7
101.02444	2.2
109.02938	5.0
111.04504	2.2
112.01691	0.6
113.02456	100.0
117.01974	0.5
119.03545	0.8
120.89996	0.4
121.02969	2.1
122.37701	0.5
123.04514	0.6
125.02428	0.6
127.04012	1.8
137.02449	3.2
139.04054	1.4
149.02385	0.7
155.03510	9.8
161.04616	0.5
167.03540	5.9
182.25929	0.4
185.04564	1.0
280.84195	0.5
307.10220	0.6
327.07321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1657
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
53.80258	2.5
53.93354	2.7
59.01410	8.1
61.65796	2.6
61.98839	3.1
84.02192	18.9
93.18014	3.0
101.25981	3.1
101.81473	4.1
125.09646	4.2
149.09773	3.8
157.65936	3.0
163.11331	3.8
165.12828	7.3
167.10794	43.6
177.35313	3.0
247.20628	7.3
273.18558	4.6
282.51126	4.2
291.19727	76.0
309.20779	48.7
313.17929	15.4
331.18942	51.5
351.51910	3.7
367.16602	100.0
367.24744	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42042	0.5
54.82896	0.6
70.70980	0.6
83.91197	0.5
102.03548	1.0
105.07103	0.8
119.05004	0.8
120.04606	0.7
132.04561	2.7
146.06151	5.1
148.07703	65.3
212.14771	0.7
233.19147	0.9
247.17496	0.7
309.65152	0.7
353.59036	0.7
366.24435	100.0
367.24823	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	366.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58057	0.1
56.70765	0.2
59.01398	1.0
60.01716	0.2
61.98836	0.3
82.52009	0.2
103.79129	0.2
108.69471	0.1
114.87041	0.1
116.05070	4.9
116.19775	0.2
117.77914	0.2
124.34137	0.2
132.04546	0.3
147.52267	0.2
152.27505	0.2
157.65718	0.2
159.03250	0.8
160.04050	100.0
161.04396	0.7
167.03531	0.3
168.03935	0.2
169.01436	0.3
169.18498	0.2
184.82506	0.2
204.02986	2.4
225.20021	0.1
366.08340	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	366.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16945	0.7
52.65220	0.8
59.01389	22.5
69.92542	0.8
70.08735	0.7
71.01386	9.5
72.99317	1.3
75.00877	1.7
80.93997	0.7
85.02970	0.9
87.00893	0.9
89.02440	8.7
89.31145	0.8
101.02475	3.2
113.02442	4.1
115.66582	0.8
116.05058	7.4
127.76891	0.7
128.05074	1.9
130.06581	1.7
138.63315	0.8
142.06624	100.0
145.02951	1.1
158.06123	10.9
175.70494	0.8
186.05612	33.5
204.06683	19.4
366.11972	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15127	0.9
57.02168	1.0
59.01388	100.0
66.00244	1.2
68.20891	1.3
71.01399	2.9
72.47645	1.1
73.02945	2.4
75.16852	1.4
78.95904	1.8
83.15816	1.1
85.02969	5.3
92.72117	1.2
101.02473	3.0
112.51164	1.1
113.02420	2.1
129.01984	1.3
138.67957	1.3
152.99591	2.3
156.51984	1.3
161.02509	2.1
161.04498	2.7
214.78571	1.2
296.06546	1.3
305.16171	3.0
313.70050	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
67.08739	0.3
71.01379	3.1
72.83481	0.3
73.02979	0.3
75.00880	0.4
79.07260	0.3
82.32693	0.3
85.02977	1.2
89.02443	1.2
92.74384	0.3
95.01404	0.5
101.02438	1.7
113.02447	2.9
119.03503	1.8
129.46806	0.4
134.03725	0.4
135.04526	2.3
142.06555	0.4
143.10780	75.5
157.12346	1.7
159.45039	0.4
161.04579	1.6
161.06102	1.6
167.10825	0.5
185.11845	1.4
204.24437	0.3
216.95029	0.3
277.09543	0.4
305.16135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21173	0.9
51.92872	0.9
53.41595	0.9
56.83430	0.9
58.15125	0.9
59.01387	100.0
64.34835	1.1
71.01400	8.5
73.02961	6.7
81.07147	1.0
85.02969	2.7
89.02470	5.4
93.03455	1.5
93.78760	1.1
95.05049	1.8
96.96047	6.2
99.08150	9.7
101.02448	6.3
105.03463	9.6
108.02215	1.2
109.02973	1.6
113.02437	7.0
117.05566	5.1
119.03486	1.8
123.04516	1.9
126.88307	1.0
127.59076	1.1
133.02962	37.2
135.04552	2.4
143.07161	47.1
151.04022	1.5
157.08707	1.3
161.04559	1.9
161.08165	1.2
167.03481	4.9
167.07121	2.7
177.01904	12.2
185.08170	6.2
209.08167	1.6
305.12454	5.0
326.99521	1.2
379.64371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66430	0.3
55.01892	0.5
57.03433	0.4
58.88687	0.3
59.01385	100.0
63.43475	0.3
65.59696	0.3
67.20327	0.3
71.01380	6.5
73.02948	2.3
73.08119	0.3
76.76978	0.4
78.95906	0.5
83.01371	0.4
85.02943	3.2
89.02425	1.4
92.10110	0.7
97.49976	0.3
101.02432	4.9
103.72235	0.3
113.02451	2.5
121.13375	0.3
143.10721	0.5
159.02957	0.4
161.04546	3.6
305.16104	7.4
365.10138	0.5
365.18182	2.1
379.07135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46936	0.3
55.37243	0.4
59.01386	100.0
69.03445	1.4
71.01382	17.0
72.99275	0.4
73.02949	25.7
75.00900	0.7
75.32554	0.5
78.07205	0.4
81.03485	0.5
81.62221	0.4
83.01383	4.8
85.02971	2.9
86.89948	0.4
88.98788	0.5
89.02496	0.4
94.80428	0.4
97.02943	1.8
99.00880	0.6
101.02446	12.8
101.06078	31.7
113.02430	4.3
115.07641	14.6
125.02444	1.6
131.03452	0.5
143.03490	2.3
143.07150	6.9
155.03510	1.7
155.07071	0.6
161.04527	0.9
173.08232	0.7
178.78163	0.5
202.02667	0.5
202.97864	0.4
202.99928	0.6
203.05638	1.7
203.12720	0.4
248.18794	0.4
314.25269	0.4
365.05020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86066	0.2
59.01391	0.5
66.39353	0.2
70.84234	0.3
72.00904	4.1
74.02491	1.6
76.55534	0.3
100.00410	8.2
107.05052	1.2
109.02942	1.2
116.05070	5.6
122.84433	0.3
130.06610	2.0
132.02109	0.4
133.02037	0.6
133.02974	10.8
134.03752	3.2
135.04529	100.0
136.04857	0.3
142.06633	25.0
152.99686	0.3
157.07745	0.5
159.09265	1.8
161.02455	22.8
185.07198	0.5
186.05615	9.2
203.08275	3.3
227.75703	0.3
229.06197	28.6
365.11520	3.0
365.19455	2.5
379.16119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75132	0.7
59.01380	8.5
61.02743	0.8
71.01392	7.0
71.05016	31.3
73.88622	0.8
75.02408	1.3
79.92191	0.9
81.16163	0.9
84.02159	1.0
85.02948	12.5
97.02969	1.4
101.02390	1.0
103.04592	1.0
107.05035	4.9
113.02454	13.5
119.05035	3.4
121.02055	0.9
121.02951	28.2
125.02433	1.5
134.03735	47.1
134.04698	1.9
135.04503	2.1
147.00879	5.3
147.08128	1.1
149.09720	4.5
159.04494	1.9
160.01633	1.1
161.02432	7.6
165.01918	3.6
171.04456	0.9
177.09230	7.4
187.04008	1.4
190.62608	0.8
193.08791	1.4
221.08224	100.0
229.65880	1.0
231.03049	1.4
263.06281	1.2
277.09970	1.3
283.06091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78871	1.0
55.58322	1.0
56.66321	1.0
58.42988	1.1
59.01389	100.0
72.99327	1.6
81.03439	1.2
83.63642	1.1
87.00880	2.6
101.02434	1.3
105.01925	15.2
106.71694	1.2
107.11328	1.2
109.02969	1.9
113.02413	1.8
123.04533	5.9
129.75441	1.4
147.31085	1.4
153.00169	5.3
158.03716	1.5
158.06157	7.7
159.04509	5.6
161.02551	1.7
173.06099	2.6
174.06848	1.8
187.07613	14.3
202.05145	8.9
203.10826	2.7
213.50191	1.4
215.07155	1.8
228.04260	1.8
231.10419	4.7
257.08282	5.4
275.09216	24.8
277.05252	6.5
346.53482	1.3
363.24237	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39360	0.2
55.85260	0.2
59.01383	100.0
59.53817	0.2
61.93216	0.2
62.24655	0.2
71.01385	2.4
84.43417	0.3
85.02972	0.3
85.15906	0.2
89.02438	3.0
101.02438	1.2
105.15462	0.3
113.02455	0.5
119.03484	1.4
133.02988	0.5
134.03752	1.2
179.05650	0.4
189.80524	0.3
198.69562	0.3
214.51083	0.2
246.00055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
60.11415	0.4
60.64676	0.4
61.98834	100.0
65.59882	0.4
77.31471	0.4
78.95899	2.5
82.95408	0.9
96.96014	13.5
96.96937	3.8
98.95567	1.2
120.71145	0.5
139.03987	2.8
152.78192	0.5
156.58464	0.5
162.41136	0.6
171.40424	0.4
176.26404	0.5
177.74356	0.6
194.84872	0.5
201.53299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.6
59.01395	13.6
59.01692	0.5
59.23883	0.3
59.82837	0.2
60.01723	1.6
61.01812	0.7
61.98842	100.0
65.74784	0.2
74.27033	0.3
77.44325	0.3
79.67889	0.3
136.24821	0.3
151.19362	0.3
162.42668	0.3
218.07367	0.6
219.06931	3.6
220.07114	3.7
287.13382	0.6
288.13773	2.2
302.16760	1.4
303.16556	4.0
304.16711	9.6
315.74411	0.4
389.28812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04375	0.2
59.01384	58.9
70.63406	0.2
71.01378	0.3
72.99306	6.1
75.00867	5.9
77.51229	0.2
82.75716	0.2
85.02956	0.2
87.00893	0.5
92.10146	0.3
95.01350	0.3
105.01934	100.0
107.05020	0.3
109.03005	1.8
112.82772	0.2
126.06397	0.3
135.04576	0.3
139.11290	1.1
145.06685	0.3
154.68886	0.3
159.04494	1.7
161.02431	0.6
172.05307	14.0
173.06137	2.3
183.04497	5.1
187.04173	2.1
187.07651	70.3
188.08006	0.4
189.05534	0.6
197.06088	0.4
198.06879	1.0
199.04027	6.8
200.03148	0.3
200.04813	4.1
201.05571	2.2
201.11346	1.5
202.06396	2.5
204.04327	2.5
211.04068	1.6
211.07681	1.4
213.05647	0.2
213.09242	7.8
214.06355	1.3
215.05170	0.5
215.07159	11.4
227.01276	0.4
227.03519	12.0
228.04321	6.2
229.08740	2.4
231.06725	2.3
231.10265	4.1
232.03687	0.3
257.08212	42.9
258.08487	0.3
268.64731	0.3
275.09229	2.8
363.10516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10778	0.3
59.01099	0.5
59.01377	5.5
60.69242	0.3
72.99309	6.8
75.00866	7.6
77.88005	0.3
82.13470	0.4
92.10086	0.4
97.27895	0.4
105.01935	100.0
109.02953	12.9
126.71680	0.3
135.04488	0.4
158.03711	0.6
159.04532	3.3
159.33363	0.4
161.02460	0.5
172.05301	14.2
173.06067	1.8
175.60507	0.4
183.04526	4.4
186.06816	0.5
187.04065	2.1
187.07658	64.4
188.08084	0.5
199.03996	9.8
200.04762	4.6
201.05582	2.2
202.06404	3.4
202.28314	0.4
204.04282	3.3
208.03217	0.4
211.03940	0.8
211.07715	0.9
213.05486	0.4
213.09248	7.2
214.06268	0.6
215.07172	11.0
227.03531	12.6
228.04271	6.7
229.08698	2.9
231.06616	2.4
231.10263	3.3
232.03632	0.5
257.08221	40.9
275.09299	2.9
311.89343	0.4
314.79105	0.4
385.07269	0.7
385.35559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43101	0.4
59.01395	0.9
60.14935	0.4
61.22419	0.4
81.27785	0.5
84.97055	0.5
85.02949	0.6
91.01892	2.8
93.03465	3.0
95.01402	0.5
96.56094	0.5
108.02168	20.6
110.03068	0.5
120.12669	0.5
121.02938	6.9
122.03741	14.2
123.04521	15.0
133.02960	1.0
134.62772	0.5
136.01692	1.1
149.02441	21.4
150.03226	100.0
151.03893	0.8
152.01155	44.7
158.71597	0.5
159.10182	0.5
164.04820	3.8
165.05563	79.6
166.05916	0.6
167.03494	45.0
180.04306	7.5
195.06638	26.3
256.07516	0.9
315.08871	1.8
349.33289	0.6
365.01355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16358	0.2
51.71315	0.2
57.03453	8.2
59.01383	4.6
63.25760	0.3
65.58349	0.3
78.95918	3.0
79.95750	1.5
80.04023	0.2
80.90487	0.3
91.60705	0.3
92.10749	0.4
96.96012	100.0
96.96893	4.7
99.04520	8.2
101.02434	1.8
120.99759	0.3
121.05061	0.6
123.00935	0.3
125.02433	1.9
161.04723	0.3
163.06102	0.4
166.26830	0.3
168.06752	0.3
181.27141	0.3
203.09474	0.3
265.09308	7.6
278.40286	0.3
293.48886	0.3
314.28229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	58.4
61.98846	8.1
65.70803	1.4
70.29695	1.3
71.01387	11.9
71.67227	1.4
73.02944	6.2
78.95911	1.8
83.01395	1.9
84.00922	11.2
85.02969	3.1
89.02459	10.7
89.30199	1.6
93.03423	2.4
96.96005	21.6
99.58213	1.5
101.02451	10.2
105.44923	1.5
113.02480	5.9
114.38837	1.5
147.04533	100.0
148.32869	1.7
157.09859	6.4
165.05544	10.9
179.05569	1.8
241.04988	2.7
327.07587	2.1
327.10898	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	362.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01380	0.9
85.02954	0.8
96.95999	0.5
97.50212	0.5
101.02450	1.8
120.46156	0.5
121.70483	0.5
126.73691	0.4
161.04547	0.7
203.59943	0.5
218.55273	0.5
292.33051	0.6
302.12524	7.0
345.77835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.16150	0.6
68.87267	0.6
72.69408	0.8
87.19044	0.6
116.92846	1.1
144.30714	0.7
144.83560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71243	0.4
50.98888	0.4
56.12751	0.4
59.01383	100.0
60.99584	0.4
67.57616	0.4
72.38535	0.4
75.12996	0.4
91.09029	0.4
96.88712	0.5
129.76245	0.4
149.01227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01715	0.2
83.12965	0.2
88.65114	0.2
106.60284	0.2
145.21242	0.2
162.24028	0.2
180.37947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80700	0.5
59.01384	20.0
71.17320	0.5
85.82547	0.6
96.65477	0.7
144.75166	0.7
257.39908	0.6
260.37286	0.7
274.61368	0.6
279.23322	100.0
280.23618	2.7
288.13034	0.7
361.23685	20.0
383.89706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	40.2
69.27935	3.8
74.19373	4.2
109.06593	18.6
111.08189	5.4
117.07146	5.9
135.08168	4.8
163.11223	5.9
171.10179	5.8
174.97810	4.4
185.11845	5.1
188.93832	4.6
197.11844	8.4
201.11363	20.7
203.80972	4.3
207.10419	14.0
211.13356	8.7
225.11333	16.4
318.87170	4.9
325.20248	100.0
374.45840	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	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84098	1.2
51.89044	1.1
54.15380	1.0
57.03457	1.4
59.01391	100.0
59.01695	3.3
70.19542	1.2
71.01386	25.6
73.02953	7.8
75.17193	1.6
78.45799	1.2
78.95918	2.1
81.44306	1.3
83.01377	2.0
85.02939	10.4
89.02458	8.8
93.03461	2.7
95.01378	2.0
99.00917	5.5
101.02440	16.0
105.01942	2.7
113.02467	11.5
119.03484	2.5
119.04946	5.5
161.04555	8.9
193.30284	1.3
225.29411	1.6
255.06618	3.2
319.17673	25.4
361.18457	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92511	0.3
57.03448	1.0
59.01385	13.9
63.33553	0.4
65.24266	0.4
70.78514	0.4
71.01366	3.9
73.02965	0.6
78.95898	0.8
80.91678	0.9
83.01380	0.9
85.02960	3.1
89.02473	0.5
92.63328	0.4
93.03450	0.6
95.01364	4.6
96.96011	4.6
96.96956	2.3
99.04539	1.7
101.02448	2.4
108.02164	0.8
109.02946	1.9
111.00871	0.6
111.16207	0.6
113.02470	2.0
121.02960	3.4
123.00880	100.0
123.04523	0.9
124.01691	6.3
125.02445	1.1
129.01900	0.7
137.02449	3.4
138.03227	68.2
139.04027	14.1
145.03700	0.5
149.02426	2.5
150.03215	0.9
151.04036	2.4
153.01913	2.0
154.56711	0.4
161.04536	8.1
163.04030	0.7
166.02742	2.4
178.02667	2.1
181.05081	5.3
193.05054	3.3
279.10898	0.7
301.09293	23.8
302.09573	0.5
361.10590	0.6
362.65878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01382	50.3
59.01655	2.8
59.43167	1.5
64.47408	1.4
66.82571	1.5
68.76011	1.5
71.01395	9.8
72.99319	3.8
73.02960	8.4
73.67712	1.5
75.00913	1.9
77.15970	1.3
80.05055	8.5
83.01429	1.6
89.02464	2.6
90.04330	1.3
91.31501	1.3
101.02417	3.3
104.05066	23.5
105.01947	3.7
113.02451	2.8
117.27477	1.6
121.05356	3.8
122.06141	13.8
124.07687	8.0
132.04500	5.7
146.06174	2.1
148.04056	92.6
148.07707	2.2
150.05579	2.0
153.04312	3.7
176.07225	1.4
182.06155	9.2
183.06902	2.7
187.05304	1.9
192.03036	48.2
196.07747	1.8
210.09319	2.2
212.10861	61.3
212.53125	1.7
213.10387	14.1
225.06708	10.2
226.07532	12.9
229.08516	1.7
231.11380	6.6
237.09059	1.9
239.08234	2.7
240.09128	11.5
255.11417	100.0
268.31067	1.9
273.12473	6.5
299.10431	12.3
315.08899	2.3
343.09375	65.9
343.22626	1.7
361.10388	22.9
370.58649	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	361.0935
Annotation	Methyl asterrate
Peak:m/z	Relative Intensity
50.97470	0.3
59.01386	1.9
61.77979	0.4
65.52713	0.4
67.44050	0.4
70.01424	0.5
71.01374	0.4
78.95913	0.9
79.40595	0.5
81.56833	0.4
83.03677	0.4
95.01373	1.0
96.96959	0.9
110.00118	2.6
111.00883	9.4
123.00891	0.8
125.02428	1.0
131.01422	1.0
132.02170	0.8
133.02968	1.9
137.02415	1.0
137.99547	0.6
138.03221	1.1
139.00381	31.9
139.03947	0.6
140.01167	100.0
144.28600	0.5
147.00876	7.1
148.01645	4.5
149.02463	0.8
149.99625	2.1
153.01942	5.2
154.02721	1.8
155.03522	18.3
155.06349	0.5
159.04652	0.5
160.01624	1.1
161.02443	3.8
164.98108	0.5
165.01988	2.0
171.04584	1.1
175.00374	27.5
176.01117	0.7
180.76793	0.5
190.02739	11.7
192.04405	1.5
193.05095	2.4
199.04173	0.7
203.03542	0.8
205.05054	1.9
207.03003	3.3
208.03856	0.8
211.04041	0.6
213.05655	0.6
215.03523	0.6
225.27711	0.4
226.02650	0.5
227.03519	6.1
231.02934	0.9
242.02054	0.7
242.05820	0.5
243.02975	2.2
255.03011	5.1
271.02524	3.2
286.05060	1.1
287.05731	0.6
288.91946	0.5
297.03967	0.6
299.02075	2.0
301.07205	0.7
314.04395	6.1
329.06723	31.5
346.06772	3.4
361.09293	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	361.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57912	0.9
54.22613	1.0
55.11810	1.0
59.01394	2.6
60.09638	1.1
80.96819	1.1
81.12457	1.2
85.31283	1.0
89.66762	1.1
110.00134	2.8
111.00882	13.5
117.56725	1.2
123.00935	3.0
125.02412	2.6
130.18147	1.2
131.01416	2.3
132.02161	2.3
133.03046	1.6
138.03201	1.6
138.97841	1.3
139.00385	44.1
139.01413	2.2
139.03979	2.0
140.01169	100.0
147.00922	7.5
148.01636	9.0
149.02422	1.3
149.99611	2.3
153.01987	7.0
155.03532	24.2
160.01688	1.4
161.02521	5.0
165.01932	1.9
175.00378	20.8
182.96358	1.1
183.04495	1.7
190.02721	11.3
199.04041	2.5
205.05106	2.7
207.03052	5.6
222.05380	1.7
227.03537	9.1
231.03065	2.3
255.03056	6.7
271.02435	4.6
286.04800	2.8
299.02057	1.4
314.04410	14.2
325.20291	1.6
329.06708	48.4
346.06979	5.2
361.09286	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	361.0933
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
56.55261	0.5
59.01387	2.6
61.41220	0.6
64.20200	0.6
68.66745	0.6
72.98895	1.0
72.99310	29.5
93.03458	2.6
105.23648	0.7
107.05038	0.9
119.05032	1.2
181.06587	4.7
183.04541	1.3
193.06593	12.8
195.08250	0.8
197.06091	1.1
199.07594	1.0
207.06319	0.9
207.08189	19.4
209.06090	3.3
209.09691	0.8
211.07663	5.1
219.06059	0.9
219.08162	24.0
223.07639	4.0
224.08414	1.5
225.09245	19.2
227.07117	2.4
229.08813	0.7
235.07634	15.9
237.05710	4.2
237.09227	51.4
241.08623	4.0
251.07227	5.5
253.08708	50.0
255.06635	3.7
255.10269	4.0
256.07379	2.6
257.03275	0.7
263.07153	11.4
269.08194	9.4
271.09753	1.5
279.06754	2.4
281.08218	31.7
297.07712	12.9
299.09210	11.3
307.06021	3.5
315.08780	81.9
317.10236	0.8
325.07184	8.0
343.03952	1.0
343.08252	47.8
361.09329	100.0
362.09387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
63.80768	0.3
78.95898	31.0
79.95737	3.2
82.95450	0.7
85.43291	0.3
92.10764	0.4
96.96011	100.0
96.96961	49.2
101.02414	0.3
102.91079	0.3
120.21003	0.3
123.00871	3.2
138.03209	2.1
139.04051	0.4
154.57581	0.3
256.83231	0.3
301.09253	0.6
315.92731	0.3
316.29602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10793	0.3
59.01404	1.4
59.58292	0.3
61.78036	0.3
78.95907	30.8
79.95718	2.4
82.95446	0.5
92.65166	0.3
96.96027	100.0
96.96973	51.1
101.02457	0.4
121.02995	0.4
123.00896	4.4
138.03224	2.2
153.01985	0.4
181.52623	0.3
182.30383	0.3
185.75914	0.3
255.43048	0.4
275.35263	0.4
301.09216	0.7
335.75085	0.3
384.33084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92590	2.0
55.39777	2.2
59.01396	16.2
64.34413	2.4
87.09249	2.3
110.81113	2.8
119.05021	100.0
159.52908	2.7
161.13988	2.7
163.04028	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33968	0.4
59.01389	32.9
60.90205	0.3
65.63052	0.4
69.03443	0.4
71.01390	0.7
83.56773	0.4
85.02970	0.5
92.10757	0.6
123.03251	5.4
138.05611	100.0
139.05923	0.4
152.07150	0.6
161.04585	0.7
180.06664	0.8
181.50124	0.4
192.06696	2.0
244.08018	0.4
281.63016	0.5
282.09808	8.7
300.10901	5.0
361.10339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51812	0.1
53.21054	0.1
56.25130	0.1
56.54702	0.1
59.01382	3.7
61.00167	0.1
66.13252	0.1
66.35667	0.1
67.07577	0.1
67.09300	0.1
71.01379	0.5
73.02953	0.2
74.24931	0.1
85.02939	0.2
123.03252	6.9
138.05606	100.0
139.05959	0.6
146.91776	0.1
152.07155	1.0
161.04570	0.2
161.33978	0.1
180.06593	0.3
198.82002	0.1
255.62599	0.1
275.55188	0.1
282.09818	1.4
300.10858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16647	0.4
59.01391	30.4
61.45607	0.4
75.57396	0.4
101.83408	0.5
118.61711	0.5
186.37546	0.5
277.21735	100.0
278.22083	0.7
359.22101	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	359.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.3
58.00624	2.0
59.01382	66.8
59.01651	2.9
71.01375	18.0
72.82054	2.1
73.02956	30.8
75.00863	2.6
75.59963	2.5
76.14037	2.2
83.01411	2.8
85.02951	4.5
89.02458	3.2
95.05066	3.6
101.02465	9.7
108.02184	10.3
113.02440	10.4
119.05094	2.2
121.82459	2.3
137.09744	13.1
151.11301	45.5
155.10788	94.2
162.30643	2.4
164.21199	2.4
166.06226	2.5
169.12355	5.5
171.10234	5.0
173.23351	2.0
179.10771	100.0
190.31470	2.5
191.10829	2.8
197.11885	4.0
207.10294	2.6
209.11862	12.2
217.00290	4.1
225.11465	2.8
262.31714	2.5
265.14700	7.3
287.16452	2.5
305.17538	16.8
323.18637	8.2
329.76593	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76936	18.2
59.01393	100.0
62.32506	17.6
65.89781	18.7
69.96899	18.0
75.63120	22.2
77.79220	19.0
83.72719	18.8
109.56799	22.2
112.51842	19.4
115.13906	19.6
135.08195	25.1
143.76636	21.8
165.12836	40.2
165.62802	20.1
186.58089	25.6
291.19778	88.1
359.18393	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82402	4.4
59.01391	45.3
60.11460	3.8
63.58666	4.6
70.99242	4.0
75.02540	4.1
80.31972	5.0
84.86913	4.8
95.45459	4.6
151.07701	37.4
171.10269	100.0
176.29578	4.8
217.00385	11.2
243.17543	8.1
287.16626	8.5
305.17688	63.6
364.58542	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.52194	0.9
54.82597	1.1
59.01387	7.8
59.49510	0.9
71.01382	2.2
72.99304	99.4
75.00877	6.8
77.01309	1.3
89.02451	4.1
92.10714	1.2
92.72975	0.9
99.00832	1.4
101.02441	1.2
109.02995	2.5
115.73036	1.1
119.03469	1.3
123.04520	45.9
129.01955	2.0
131.02513	1.0
134.03773	4.0
135.04527	86.6
151.04041	2.5
159.03020	1.3
164.04781	2.1
179.03513	67.1
195.05145	6.4
196.05428	5.5
197.04533	100.0
263.31003	1.2
353.00424	1.2
354.92047	1.2
359.09891	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07293	1.8
57.03456	5.5
59.01383	32.5
71.01380	45.2
72.99303	100.0
75.00867	51.3
76.01228	3.0
77.01282	7.5
85.02971	14.0
87.00883	5.2
89.02461	5.3
91.17731	2.8
92.10061	4.6
96.95988	2.9
99.00883	16.1
101.02444	3.7
107.05037	2.8
119.05029	11.1
121.02950	88.6
123.04507	42.6
129.01944	20.0
131.03537	3.7
134.03699	3.9
135.04532	85.8
151.04025	2.6
159.02989	11.6
163.03986	2.8
177.04060	42.8
179.03502	62.9
181.05101	27.2
191.41579	2.3
195.05095	45.4
196.05505	19.2
197.04320	83.1
269.78864	2.3
323.13467	8.5
341.08868	4.5
356.66287	2.5
359.09909	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.0
59.60227	0.8
60.04758	0.8
71.01381	4.3
73.02959	1.1
78.84834	0.8
89.02468	2.1
92.10848	1.1
101.02438	1.9
109.02942	6.7
113.02472	3.5
121.02927	1.5
122.03742	1.2
123.04514	6.7
133.02985	7.9
134.03716	2.0
135.04532	100.0
137.02455	68.0
139.04033	2.2
139.90457	1.3
148.05315	1.6
149.02431	5.1
149.06079	8.1
161.02466	33.3
163.04025	1.2
175.03929	3.7
177.05563	9.1
179.03482	21.7
191.03482	3.5
197.04564	1.2
203.03557	9.9
209.04587	5.0
221.04552	3.6
239.05667	6.3
251.05690	2.1
262.70316	1.0
269.06589	1.2
281.06570	5.1
299.07813	1.4
341.08798	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	359.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80005	0.7
58.53810	0.8
59.01385	12.4
60.53042	0.9
61.32294	0.8
66.75053	0.8
71.01405	3.7
72.99330	4.8
75.00881	6.6
84.20942	0.9
85.02972	4.8
87.00880	1.5
89.02457	1.0
92.10871	1.7
99.00883	2.3
101.02469	1.5
109.02979	1.3
119.05039	8.6
121.02946	100.0
125.21801	1.0
129.01956	4.3
135.04517	38.1
137.02463	9.4
144.49606	0.9
153.01967	1.6
161.02455	3.8
163.23958	1.0
177.04053	4.0
179.03468	2.1
181.05074	41.6
192.07452	1.0
195.05090	10.7
197.04482	1.2
203.03450	1.0
262.47888	1.0
345.41702	1.0
359.10098	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	358.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82317	0.5
59.01407	0.4
61.98833	100.0
74.04668	0.3
76.29497	0.4
94.69326	0.4
108.03123	0.5
114.31916	0.4
141.24089	0.5
156.68690	0.5
190.22539	0.5
248.29268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.41504	0.6
73.94578	0.6
86.93392	0.6
94.92173	0.7
95.72681	0.6
132.90926	0.7
132.98198	1.2
136.94040	1.6
150.17259	0.7
157.03574	1.8
159.01416	0.9
174.99254	28.1
178.95088	0.9
201.02574	20.2
211.32890	0.8
217.00320	78.4
247.87172	1.2
256.87662	9.6
271.86462	1.6
272.90839	1.3
274.88776	54.3
275.88831	4.0
287.85062	3.3
289.87512	17.0
290.87436	0.8
298.88763	4.2
316.89807	47.2
317.89890	4.3
359.01599	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	357.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.64782	1.0
92.10036	1.9
93.71873	0.9
109.02928	1.4
114.19965	1.0
121.02952	18.3
151.73471	0.9
181.06639	1.8
209.11877	1.4
223.13371	2.0
261.87567	1.2
316.35522	1.0
350.37183	1.0
357.06607	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	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93869	0.4
59.01391	4.9
71.01410	0.9
71.34478	0.4
84.06167	0.5
85.02967	0.7
108.08198	100.0
113.02476	1.2
116.92789	0.5
120.08186	3.2
122.60077	0.4
124.04101	0.5
132.08136	0.7
134.06149	0.8
136.07678	0.7
148.07596	0.7
152.07179	59.7
158.77803	0.6
166.08725	13.7
181.20018	0.5
191.05678	0.6
194.08231	4.3
196.06172	28.7
230.26801	0.6
233.02919	0.5
238.07201	4.4
267.30579	0.6
298.09424	2.7
301.78394	0.5
358.11499	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01893	0.7
59.01389	51.6
61.36185	0.7
70.66728	0.7
71.01384	25.7
72.99329	1.3
75.00884	1.4
83.01411	1.3
85.02948	6.8
89.02441	18.5
91.08627	0.8
95.01392	1.0
99.00838	0.9
101.02438	11.0
113.02448	7.9
113.03127	0.9
116.86145	0.8
119.03506	6.5
123.04481	1.0
134.03691	1.9
135.04494	1.8
139.26001	0.9
149.02383	0.8
151.04068	0.8
161.02452	3.6
162.03227	97.6
163.04025	5.3
177.05577	100.0
178.05992	1.6
179.03502	1.0
179.05663	0.8
195.05070	4.8
263.41995	0.8
291.07495	0.8
357.08527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	94.0
71.01388	21.0
73.02958	3.5
75.00842	2.6
77.53046	2.6
77.56432	2.9
85.02966	5.8
89.02451	4.2
94.40740	2.6
95.01423	3.5
101.02468	6.1
104.31557	3.1
104.39973	2.8
108.02225	3.6
113.02455	3.8
119.05000	2.9
121.02957	6.8
134.03694	3.8
135.04550	14.9
145.02977	11.1
147.04546	13.7
149.06090	3.4
161.02371	3.7
161.04590	4.3
179.03630	3.5
195.05104	10.6
206.07378	3.9
211.07721	5.3
223.07668	6.6
224.08354	15.1
225.01956	77.5
226.02681	11.7
229.01529	21.4
235.07661	15.6
250.06493	3.6
251.07188	27.6
252.07988	10.7
263.07135	14.3
264.07971	34.0
265.05017	6.2
265.08640	10.8
267.06668	33.8
268.07422	100.0
279.06647	6.4
280.07434	18.0
283.09790	62.7
294.05518	6.1
295.09885	4.1
296.06952	6.4
297.00449	57.6
298.01315	5.5
308.06934	34.8
309.07828	20.8
312.06479	21.3
313.03354	3.7
324.06305	26.2
327.08850	64.4
327.93747	3.5
339.08792	66.1
339.12476	4.8
357.02573	80.2
370.96353	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	357.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	3.4
59.01384	8.6
59.28024	0.5
64.33456	0.6
69.52921	0.5
71.01382	6.5
72.99315	1.4
75.00867	42.3
76.73992	0.6
85.02959	3.9
87.00883	5.6
89.02474	2.7
99.00874	13.8
111.00893	1.3
129.01941	19.1
133.02983	0.8
134.03735	2.5
135.04538	16.8
159.02997	13.5
165.01927	2.6
177.04068	1.0
179.03513	6.3
195.05113	100.0
277.33990	0.7
357.08316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.6
62.75935	1.4
69.53017	1.6
75.00905	2.1
85.02975	1.7
87.00907	1.6
90.68021	1.6
92.10195	2.3
93.03481	2.9
96.98264	1.4
108.02160	2.1
112.99731	1.8
118.50417	1.9
119.04993	7.3
121.02966	6.7
130.08783	2.3
132.98932	1.6
134.03705	5.8
135.04515	9.9
145.02982	6.6
147.04555	10.5
149.06029	3.4
165.97523	1.6
173.02425	1.7
179.03447	2.0
190.90233	2.0
195.05052	3.9
207.08134	3.7
211.07614	7.4
221.06200	2.0
223.07700	11.8
224.08473	16.3
227.06979	1.8
228.06328	1.6
235.07596	12.8
237.05569	2.6
239.07106	3.0
249.05516	1.6
250.06361	7.7
251.04666	2.5
251.07118	22.7
252.07959	10.9
252.56874	1.7
263.07193	17.7
264.07922	30.9
265.05057	6.9
265.08798	4.1
267.06653	30.1
268.07422	100.0
277.05045	3.1
279.06589	15.0
280.07431	24.3
283.06778	2.4
283.09772	51.5
292.28677	2.1
294.05246	7.8
295.06207	3.6
295.09537	2.2
296.06870	14.5
307.06168	1.9
308.06964	47.0
309.07709	18.7
312.06500	17.9
319.08069	2.2
323.05399	3.2
324.06482	23.3
327.05173	3.2
327.08792	65.9
339.08755	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
59.01385	9.9
71.01386	7.7
72.99285	1.3
75.00867	53.3
76.10545	0.6
77.75391	0.6
78.46525	0.6
83.01370	0.8
83.42367	0.7
83.98136	0.5
85.02934	4.8
85.30404	0.6
87.00863	6.9
87.95338	0.6
89.02457	3.8
92.10081	1.3
99.00873	18.7
101.02427	0.7
111.00890	0.7
126.03516	0.6
129.01942	23.5
133.02957	0.9
135.04527	13.4
159.02992	11.3
161.02455	0.7
179.03526	4.5
195.05118	100.0
226.86932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
58.76631	0.4
59.01383	9.6
67.90215	0.5
70.43225	0.5
71.01375	8.3
72.99321	3.1
75.00866	48.0
81.21947	0.5
85.02950	6.0
86.94453	0.5
87.00870	7.2
89.02457	3.3
99.00874	15.4
101.02438	2.4
111.00870	1.0
123.04498	0.6
129.01944	20.3
130.68596	0.5
134.03732	1.1
135.04518	17.7
159.03014	12.9
161.02455	0.8
161.42760	0.5
165.04105	0.6
179.03450	5.8
195.05107	100.0
357.08466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
86.58599	0.1
92.10179	0.2
100.48167	0.1
100.74937	0.1
155.50050	0.1
182.49449	0.1
182.51105	0.1
220.14658	0.6
221.15417	0.7
225.00165	0.1
236.10431	0.5
274.03787	0.1
293.17609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67132	0.2
55.90457	0.2
56.02665	0.2
58.28224	0.2
61.98833	100.0
62.83759	0.2
70.53190	0.2
74.38116	0.2
81.42122	0.2
84.34531	0.2
104.71419	0.2
127.61851	0.2
134.67834	0.3
140.40154	0.2
148.82748	0.2
151.55461	0.3
173.77554	0.2
175.03319	0.2
227.78918	0.2
249.31314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33296	0.4
57.03465	3.1
59.01382	8.5
59.01616	0.5
70.93369	0.5
71.01377	6.2
72.99321	2.8
75.00868	46.8
83.01408	0.7
85.02943	5.1
87.00871	5.6
89.02468	2.5
99.00882	15.5
101.02464	1.2
111.00922	0.9
129.01938	21.0
133.02994	1.1
134.03761	1.3
135.04524	23.0
141.01886	0.6
142.11784	0.6
159.02982	12.2
177.04044	1.0
179.03482	8.3
195.05115	100.0
234.13609	0.5
260.31772	0.6
357.08572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50921	0.1
59.01384	2.3
71.01394	1.1
82.25327	0.2
85.02959	0.9
89.02439	0.2
95.01427	0.2
98.97149	0.2
100.74467	0.2
106.06625	100.0
107.06944	0.8
108.08199	5.7
113.02455	1.1
118.06646	0.8
120.08205	0.8
130.06631	0.8
131.03752	2.0
134.06126	0.3
136.07655	0.3
146.06123	0.3
146.08194	0.2
148.22214	0.2
150.05614	34.9
162.05577	0.2
164.05838	0.4
164.07182	9.3
164.08548	0.3
174.05585	0.8
192.06674	3.7
194.04594	15.0
198.79678	0.2
236.05585	2.0
296.07761	1.8
356.09927	5.4
356.20834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
60.38440	0.3
61.98831	100.0
62.70617	0.3
62.82785	0.3
71.01369	0.4
75.00878	1.8
85.02959	0.7
87.00888	0.5
92.65327	0.4
113.46264	0.3
119.05004	0.5
124.91810	0.3
133.02931	1.7
134.03252	1.4
135.04549	0.5
146.67044	0.3
151.04012	4.4
177.04012	0.4
178.02325	0.3
179.03635	0.4
192.07513	0.5
194.06302	0.4
195.02971	3.7
195.05074	2.6
293.96768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2283
Annotation	Dshamirone
Peak:m/z	Relative Intensity
55.11419	0.9
61.98839	1.4
63.26622	1.1
92.88130	1.2
98.74519	1.2
133.10245	4.6
138.91768	1.2
163.11298	100.0
179.10786	82.4
249.33159	1.6
337.21915	6.3
355.22900	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.13208	0.2
54.46763	0.2
54.82790	0.2
54.89531	0.2
59.01376	1.6
61.16243	0.2
65.44646	0.2
71.01389	1.2
85.02941	0.9
98.41647	0.2
103.04289	0.2
104.05055	0.4
106.06628	100.0
113.02457	1.0
118.06631	3.5
120.08157	0.3
134.06142	0.3
146.06126	1.0
150.05617	53.0
151.05971	0.2
152.52707	0.3
162.05591	0.3
164.07178	10.8
164.08560	0.4
192.06680	5.6
194.04605	5.9
226.06657	0.2
236.05609	0.8
246.15421	0.2
272.24033	0.2
296.07770	0.9
299.43756	0.2
329.69708	0.2
356.09927	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	355.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
78.63491	0.4
84.93906	1.8
92.10723	0.6
99.92583	52.5
100.92696	0.8
100.93349	5.8
107.14358	0.4
110.65917	0.5
115.92077	27.0
116.92858	100.0
121.29290	0.5
127.95764	0.5
135.04652	0.4
135.33231	0.4
136.36211	0.4
183.34892	0.4
225.22314	2.1
236.06470	0.4
311.16937	0.6
325.14551	0.5
343.15820	2.3
355.15863	58.6
356.16068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2284
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.95748	1.3
54.17501	1.3
76.66348	1.6
82.68166	1.5
89.53580	1.4
93.07631	1.7
122.03747	9.0
135.04523	25.2
137.74234	1.6
147.08127	4.0
149.09714	12.8
161.09776	12.2
163.07683	3.8
163.10008	3.3
163.11298	71.9
164.08438	21.1
165.09227	6.7
177.09209	95.2
178.10020	21.6
179.10779	66.8
191.10759	8.1
193.08733	3.7
199.00684	2.9
218.68813	1.5
239.74617	1.8
265.12378	2.4
280.14658	7.1
298.15775	39.2
321.18619	2.0
337.21771	58.6
340.20459	100.0
355.19284	4.1
355.22891	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.82103	0.9
59.01396	3.7
64.57970	0.7
69.37298	0.8
71.01393	1.3
83.85002	0.8
85.02975	1.5
93.03493	1.0
93.05753	0.8
99.77193	0.8
106.04290	0.9
108.02071	0.8
119.05035	1.0
121.02969	1.0
133.02969	4.0
134.03741	100.0
135.04556	1.2
137.02446	13.3
139.04039	3.6
149.06079	20.7
150.03294	1.1
160.01733	1.0
163.04025	0.9
168.11971	1.0
173.61063	0.8
175.03984	1.5
178.02721	44.0
179.03517	1.1
191.05656	1.8
192.05930	1.3
193.01399	1.9
193.05061	89.5
264.68689	0.8
319.14008	1.8
355.10379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.84950	1.1
54.85221	1.1
59.01374	8.0
61.98844	2.1
71.01384	2.5
72.99311	5.0
73.02952	3.1
73.33731	1.4
75.00871	19.6
76.57076	1.3
80.13068	1.3
83.01392	2.2
84.02187	3.1
85.02965	7.1
87.00878	5.0
89.79176	1.2
97.02990	1.9
101.02423	1.6
103.77749	1.2
107.45014	1.5
113.99603	1.9
115.00383	5.4
118.50231	1.4
119.05013	31.7
123.04582	1.5
131.07068	1.4
133.02945	11.4
134.03752	1.6
135.04482	1.5
140.66272	1.4
149.02435	2.0
161.06078	5.4
163.04019	38.2
173.04524	2.2
174.01695	60.3
175.02498	2.1
177.02013	2.2
177.03879	1.5
179.07140	3.0
191.05556	5.4
193.01389	2.2
205.05060	2.2
209.06685	20.2
237.07587	2.4
241.17764	1.3
265.07159	5.2
295.08353	12.1
314.13077	1.5
328.07001	1.5
344.96729	1.3
347.43369	1.7
355.10400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73688	0.4
54.33946	0.4
56.76501	0.5
59.01392	1.0
59.48723	0.4
67.51785	0.5
71.01390	1.1
72.99294	0.5
75.00852	3.7
77.03964	4.2
85.02958	2.6
89.03970	0.5
91.45181	0.5
93.03458	1.1
95.05022	7.4
99.00883	2.2
105.03458	25.6
121.02952	2.7
123.04518	7.5
132.02164	1.0
133.02954	100.0
147.04514	0.7
149.02431	4.2
149.06131	1.9
150.03238	0.8
151.03999	2.7
161.02463	1.9
177.01927	30.4
177.04027	2.7
177.05498	1.6
195.02953	0.6
267.09036	0.5
298.18713	0.5
311.08499	0.6
355.06815	0.9
356.70169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
72.04194	0.8
73.96436	0.9
152.90051	0.8
280.38327	0.9
331.07477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.0
61.98833	100.0
70.25675	0.8
81.14351	1.2
82.21694	0.9
92.29255	0.9
114.96464	1.0
131.38658	1.1
145.75308	0.9
328.72256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76693	0.4
53.93425	0.4
54.82335	0.6
57.89061	0.5
59.01381	3.9
71.01389	3.1
72.99320	2.4
73.02938	0.7
75.00883	2.3
77.03967	2.9
80.30756	0.5
80.73731	0.5
85.02949	3.7
87.00865	0.6
89.03962	0.6
93.03459	2.7
95.05020	6.8
99.00916	1.2
105.02793	1.1
105.03459	22.4
113.02439	1.1
121.02938	3.4
123.04535	6.2
127.05008	0.6
132.02142	2.2
133.02954	100.0
134.03311	0.7
149.02455	3.7
149.06076	1.0
151.04042	2.0
173.04546	0.8
177.01936	32.1
177.03957	2.1
177.05498	2.0
191.05629	3.6
193.03503	1.2
195.03052	1.3
327.10117	0.6
340.53961	0.6
355.06696	1.1
355.10526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03210	0.1
59.01388	0.3
60.67523	0.1
61.98835	100.0
85.89124	0.1
90.26016	0.1
92.10114	0.3
104.48473	0.1
117.26759	0.1
146.62906	0.1
147.32213	0.1
200.74211	0.2
292.20029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.8
59.01395	12.2
75.13058	2.9
78.75341	2.8
79.95753	13.6
82.45015	2.9
83.05043	3.4
83.90861	3.1
87.58926	3.4
95.95206	3.2
96.96016	100.0
97.00773	3.2
109.06606	3.4
113.09754	8.0
115.06752	3.1
116.85697	2.9
122.97661	4.8
125.09756	4.6
151.11324	16.7
163.11267	5.5
191.14383	5.1
200.22375	3.3
245.19128	5.9
270.14679	3.3
289.18188	37.0
317.21027	11.5
321.20731	42.9
353.20062	91.2
353.23587	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.68935	0.2
59.08214	0.2
59.33080	0.2
59.64227	0.2
67.09995	0.2
69.61401	0.2
74.77415	0.2
78.84975	0.2
81.64143	0.2
86.18462	0.2
86.89207	0.2
147.08144	0.4
163.11295	100.0
164.11502	0.4
177.09216	71.4
178.09549	0.5
197.02832	0.2
220.82579	0.2
222.08882	0.3
225.92776	0.2
353.21280	69.0
354.21704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2336
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
55.01905	3.1
57.03461	14.5
57.03720	0.9
59.01390	12.1
69.03461	6.7
71.01389	3.3
71.05032	0.8
73.52264	0.7
75.73539	0.7
77.17427	0.7
83.01402	0.7
83.05035	1.3
84.02177	3.6
84.03175	0.7
85.02953	35.8
87.47295	0.7
87.57226	0.7
91.60836	0.7
97.02964	1.1
97.06579	0.8
99.08166	4.6
109.06592	0.9
113.09664	1.2
119.05074	0.7
127.11295	1.0
137.09712	0.9
139.11307	7.0
149.09718	7.2
153.09248	1.1
163.03993	0.9
167.10780	61.2
167.90343	0.9
191.05624	0.9
191.14447	1.2
197.11821	2.8
203.23062	0.8
217.12230	0.9
223.13347	1.4
235.13420	4.6
282.04697	0.8
317.21088	0.8
340.46204	0.7
353.23380	100.0
375.42114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62350	0.5
59.01390	0.8
61.42017	0.8
63.98668	0.6
68.09740	0.6
79.95736	15.8
86.70519	0.6
88.98476	0.6
94.00832	0.6
94.34904	0.6
94.98098	1.3
95.26196	0.7
95.95255	4.1
96.96004	100.0
116.70131	0.6
120.19193	0.6
122.97601	4.6
123.79662	0.6
125.53195	0.6
183.57497	0.7
353.20071	94.6
354.20541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45882	35.4
51.55138	33.7
52.18116	34.3
59.01392	100.0
69.64377	40.9
83.04924	41.5
119.83430	41.6
155.10812	81.1
191.05626	71.3
254.76747	47.7
346.60172	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01385	24.6
61.07482	0.3
64.85355	0.3
67.01905	0.8
71.01385	2.5
81.61878	0.3
83.05059	1.2
85.02966	4.8
85.06601	24.0
87.00877	0.6
89.02483	0.6
92.53447	0.3
93.03466	6.9
95.01417	0.4
101.02466	1.6
109.02974	0.5
111.04545	1.7
113.02509	2.2
119.03460	0.5
127.04030	0.4
129.05597	0.5
131.07143	100.0
134.03738	0.5
135.04533	13.9
137.02415	0.4
146.19478	0.3
155.03508	0.4
161.02393	1.4
173.04558	11.1
173.08165	0.7
179.03499	8.4
191.05634	21.2
195.03915	0.3
203.09308	0.5
205.05098	4.4
233.04642	4.1
334.84717	0.3
345.19708	0.4
353.08810	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71753	0.2
54.15005	0.2
54.66891	0.2
57.03461	0.2
59.01390	1.4
71.01386	1.1
73.02969	0.2
76.02198	0.2
81.03476	0.2
83.05050	0.3
85.02950	11.0
87.00869	2.8
90.82948	0.2
93.03445	3.3
99.04478	0.3
109.02943	0.4
111.04498	1.8
113.02513	0.3
127.04005	3.1
133.02948	0.9
135.04539	1.2
137.02509	0.3
149.83163	0.2
161.02437	2.5
171.02971	0.4
173.04556	1.2
177.02065	0.2
179.03456	0.5
191.05627	100.0
252.48834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
71.01399	0.8
73.02975	0.3
83.05006	0.4
85.02943	12.0
87.00881	2.1
93.03464	3.2
99.04550	0.4
109.02937	0.5
111.04517	2.1
127.04018	3.2
131.05037	0.8
131.39799	0.3
133.02925	0.5
161.02446	2.1
171.02979	0.5
173.04489	1.4
191.05621	100.0
192.05984	0.5
201.06808	0.3
202.95410	0.3
257.37152	0.3
283.65765	0.3
353.08850	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	352.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71280	0.5
52.03888	0.5
52.75543	0.5
52.78924	0.5
59.01382	5.7
61.98832	100.0
72.80397	0.5
76.57077	0.6
97.57182	0.6
162.65956	0.6
203.88055	0.6
254.89528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.21754	0.2
59.01377	2.1
60.96217	0.2
67.01906	0.4
71.01397	1.1
73.02951	0.3
79.56775	0.3
83.05023	0.5
85.02949	12.7
85.03459	0.4
87.00880	2.4
93.03446	4.6
99.04546	0.3
109.02941	0.6
111.04555	2.0
113.99383	0.2
127.04022	3.1
131.07123	1.7
133.02951	1.1
135.04512	1.2
160.41115	0.3
161.02467	1.6
171.03033	0.9
173.04539	1.3
179.03549	0.5
185.91315	0.3
191.05634	100.0
192.05905	0.5
318.89154	0.3
353.08673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84452	0.2
59.01387	2.4
61.98833	100.0
98.85714	0.3
99.85893	0.3
109.02966	3.7
110.03300	1.5
112.42710	0.4
118.88592	0.3
128.71089	0.3
131.32735	0.3
152.01141	1.3
153.01944	4.7
154.02301	3.0
174.50432	0.3
193.35396	0.3
195.03026	4.3
196.03323	5.4
255.05067	3.9
256.05484	6.9
270.39487	0.3
314.06082	0.4
315.46005	0.3
316.07520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66022	0.3
52.72485	0.3
56.50780	0.3
59.01376	0.8
61.98832	100.0
78.95890	0.5
96.96923	0.4
131.05055	0.3
205.53712	0.4
356.39975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.98836	100.0
64.48606	0.7
66.93297	0.6
85.02938	1.2
90.90172	0.8
91.34653	0.8
93.03473	1.0
116.66558	0.7
116.83955	0.8
133.02927	1.1
134.03307	1.4
139.42526	0.8
154.39784	0.7
178.02249	0.9
191.05635	4.4
201.38171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2182
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
50.68609	1.7
55.01896	2.4
55.94530	1.5
56.17658	1.5
57.03459	14.6
58.90498	1.5
59.01394	11.4
69.03458	9.3
71.01399	1.6
75.18919	1.6
75.72338	1.6
78.68452	1.5
84.02168	2.6
85.02955	40.5
87.41055	1.8
97.02953	6.2
97.06583	2.3
115.28236	1.6
149.09715	8.4
160.50069	1.9
163.79738	1.7
167.10783	69.1
197.11943	2.3
235.13370	3.9
291.86511	2.0
351.21838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45029	68.6
59.01382	100.0
63.84248	54.8
64.25554	63.1
68.52970	55.2
81.26411	58.8
94.88956	66.7
99.20766	78.6
136.59088	63.0
147.72014	71.9
216.25481	73.6
250.68530	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2181
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
54.82900	6.0
59.01389	29.8
59.50758	6.9
59.77362	6.5
85.02936	12.2
88.02939	7.0
113.02454	8.2
121.02979	16.0
124.11815	7.1
127.07744	9.3
211.13417	14.2
223.13545	8.7
235.13419	82.6
315.19696	15.1
333.20782	100.0
351.21741	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	351.2182
Annotation	15-Keto-prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.78621	1.4
57.03453	27.4
57.03685	1.9
59.01378	19.9
69.03444	13.8
71.01394	3.7
71.05025	4.3
73.02940	6.9
77.59657	1.7
81.03456	4.0
82.08347	1.8
83.05023	24.3
85.02970	7.4
87.20667	1.6
95.05032	8.3
96.96019	2.7
97.06600	10.3
98.03776	7.3
99.08170	8.4
101.78964	1.8
109.06592	7.4
110.03745	2.5
111.08207	1.9
113.02455	16.7
113.09766	2.4
115.07657	7.9
119.05057	1.9
121.06509	1.7
121.09203	1.5
127.07623	7.9
129.09218	67.6
135.08131	2.5
137.09755	2.2
140.01132	1.6
141.09221	39.7
149.09705	3.5
149.40857	2.2
153.09183	3.8
155.10767	18.4
165.12833	8.9
167.10777	16.9
173.08289	2.7
177.12843	3.7
178.10002	30.3
184.11038	19.7
189.12901	4.2
191.14421	6.9
195.10316	7.1
209.11809	31.0
217.16060	2.1
221.11880	27.9
223.13310	3.2
233.11871	6.6
235.13388	78.7
237.14911	2.5
251.12935	2.0
253.14336	2.1
271.20645	13.6
289.21780	2.8
291.63065	1.8
296.77670	2.0
315.19708	24.1
327.52856	1.8
333.20792	100.0
351.21805	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.24872	1.4
59.38310	1.7
66.11327	1.2
70.92259	1.4
75.86877	1.4
92.10841	1.7
92.65590	1.6
153.01939	2.1
248.52960	1.8
256.07053	2.0
291.18195	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.53873	0.2
59.01386	100.0
71.01385	1.3
73.02946	0.6
85.02955	1.6
101.02428	1.8
106.72081	0.2
113.02428	0.6
161.04573	1.0
175.00299	0.4
177.56027	0.3
222.50865	0.4
291.18207	3.5
344.53677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34772	0.4
54.99614	0.5
59.01384	100.0
59.95401	0.5
71.01389	3.1
83.01391	0.8
85.02959	1.3
99.00873	1.1
101.02454	2.8
113.02444	0.8
133.02946	0.8
135.04524	0.8
161.02441	1.3
161.04575	1.2
161.84666	0.6
162.02704	0.6
197.11847	2.4
225.11307	0.9
243.12289	1.1
291.18170	5.1
351.15598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91803	0.7
55.01893	2.0
58.00589	1.1
59.01382	100.0
61.98854	0.8
69.03455	1.2
69.04027	0.8
71.01379	22.3
71.24887	0.7
72.99314	3.6
75.00872	7.0
83.01403	1.5
83.05045	1.5
85.02960	9.8
86.00076	0.9
87.00874	34.5
89.02433	13.9
92.10756	0.9
93.03463	1.8
95.01405	0.7
96.96033	4.2
97.02925	1.0
99.00877	22.9
99.04530	1.4
100.34638	0.9
101.02444	12.1
109.02969	1.9
111.00871	1.0
111.04508	1.1
113.02457	12.2
119.03500	15.2
122.92729	0.7
127.04028	3.3
129.01997	2.9
137.02463	4.2
150.79266	0.9
153.01958	0.9
155.03488	5.5
195.03061	1.0
205.08215	0.8
264.74393	1.0
308.88440	0.9
346.76868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11713	0.5
59.01384	100.0
66.96512	0.5
71.01386	5.1
85.02974	1.2
85.06613	0.9
89.02445	1.4
89.79747	0.5
96.95923	0.8
101.02465	0.9
105.03434	0.7
109.02946	2.9
113.02454	4.4
119.03487	1.3
123.04498	4.9
125.06105	0.6
129.05580	51.0
133.02965	4.5
143.07155	1.3
152.01213	0.9
153.01909	4.2
153.05583	7.5
161.04567	1.2
166.16986	0.6
169.03848	0.6
171.06624	1.4
173.79300	0.7
195.03001	9.6
213.59633	0.6
255.05141	12.3
270.53479	0.6
279.02063	0.6
291.10770	2.4
315.07037	1.3
315.10709	0.9
317.43823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82710	0.4
57.03464	1.0
59.01383	100.0
60.12134	0.3
60.23317	0.4
62.30642	0.4
65.29677	0.4
66.88923	0.3
73.29915	0.4
83.05031	0.6
102.25835	0.4
147.08191	0.7
187.11269	0.6
203.53885	0.4
227.14449	0.6
230.74945	0.5
231.13853	2.1
238.13635	1.0
251.92645	0.4
258.75220	0.4
267.51431	0.5
271.17099	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	351.0186
Annotation	Bisphenol A bis(chloroformate)
Peak:m/z	Relative Intensity
59.01390	1.1
59.48027	0.5
63.02406	0.8
65.00320	7.7
70.06490	0.5
76.21922	0.6
79.95728	0.7
83.01376	4.5
92.23524	0.6
94.03017	0.7
106.85520	0.7
107.01395	18.5
110.04581	0.7
119.05041	8.6
128.00316	0.6
148.31775	0.7
151.00385	100.0
161.02458	1.3
169.01421	0.7
177.01942	0.8
203.97339	1.2
218.96011	1.2
229.05165	1.1
230.96078	34.1
241.04967	0.9
269.04648	0.9
271.06207	6.2
351.01849	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Resolvin E1
Peak:m/z	Relative Intensity
55.14448	3.8
55.29631	3.2
57.03456	24.9
59.01392	23.6
61.24913	3.6
69.03471	16.0
69.27048	3.3
71.01391	18.0
81.03476	7.2
83.05043	23.5
84.02186	25.9
85.02950	85.8
95.05035	22.4
99.08189	5.5
106.04256	4.2
107.05075	7.7
107.08674	4.8
109.06609	5.8
113.02462	100.0
115.07652	7.7
121.02952	7.0
127.07671	40.3
127.11403	5.0
135.04477	6.5
135.08160	49.0
139.07690	15.5
141.09219	6.4
147.04520	21.3
149.09688	7.5
153.09219	16.0
155.10814	15.2
165.09129	4.6
167.10889	15.2
176.08456	6.8
178.10022	52.1
182.09508	18.8
189.12837	40.5
191.10948	5.0
204.11502	5.5
209.11836	19.0
221.11877	5.5
233.11787	33.0
233.15410	5.9
235.13434	62.7
262.12140	49.3
269.19101	22.5
287.20184	56.5
313.18164	37.6
331.19229	98.8
349.20242	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	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78619	0.2
59.01384	100.0
59.78935	0.2
60.56575	0.2
67.73291	0.2
71.01388	2.7
73.02946	1.2
83.01364	0.4
85.02951	1.2
92.10748	0.4
98.85966	0.2
99.00891	0.2
101.02458	1.8
106.89267	0.2
113.02432	1.0
131.92734	0.3
161.04559	1.6
244.45351	0.3
273.10596	0.2
289.16684	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	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01886	4.2
57.03452	2.2
58.00586	1.7
59.01383	100.0
63.07487	0.7
71.01378	56.6
72.99319	2.2
73.02921	6.9
76.00513	0.9
83.01411	5.0
84.95161	0.9
85.02954	20.8
85.19786	0.8
87.00886	1.9
89.02437	43.8
95.01387	4.4
96.96029	4.4
96.96996	1.1
99.00867	1.3
101.02433	31.3
102.98604	0.9
112.12192	0.9
113.02436	20.0
114.01433	0.8
119.03500	15.5
131.03477	1.0
138.09401	0.8
143.03467	4.1
151.07616	1.0
159.03122	0.9
161.04520	7.3
169.08736	1.8
177.05643	1.0
179.05658	5.5
187.09753	5.4
187.13376	5.4
218.11751	1.6
226.22876	1.1
233.09331	1.3
287.10464	1.0
349.10242	3.8
349.14951	15.4
349.18732	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.22910	0.4
65.03984	0.4
71.01382	0.9
81.47016	0.4
85.02952	0.6
89.02450	2.6
92.10734	0.5
94.50286	0.6
101.02456	0.8
104.48792	0.5
119.03481	0.9
126.25009	0.5
146.82538	0.5
153.62173	0.5
311.09149	0.5
328.30569	0.5
349.11938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
55.56898	0.8
57.03471	1.0
59.01390	100.0
71.01384	17.6
73.02953	8.0
79.31122	0.9
82.75925	0.9
83.01411	2.4
85.02956	8.4
87.00890	1.1
89.02448	1.7
95.01437	0.9
99.00878	1.0
99.08158	35.3
101.02428	12.4
103.55865	1.0
108.34180	1.1
111.57481	1.0
113.02482	4.7
126.99541	4.0
135.04506	1.0
141.09198	1.0
145.08711	91.4
161.04562	4.6
187.09781	2.1
307.17719	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19450	0.3
54.82787	0.3
56.26453	0.3
59.01383	100.0
59.88641	0.3
64.25414	0.3
67.65925	0.3
82.10548	0.4
95.84795	0.4
119.05069	0.4
125.02381	0.4
136.01648	0.6
137.13420	0.3
140.53911	0.4
143.56746	0.4
177.62650	0.4
201.31148	0.4
237.05397	0.4
258.74847	0.4
305.10306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62059	0.8
59.01377	1.6
61.52399	0.6
62.75974	0.6
72.00911	7.9
74.02477	1.3
93.03459	1.6
100.00412	14.7
113.54318	0.8
116.05060	10.8
117.03473	17.9
119.05022	100.0
119.48643	0.8
125.61231	0.8
128.05067	1.8
130.06610	8.3
142.06633	33.6
145.02965	51.7
145.04112	1.7
146.06152	6.0
147.04529	4.7
157.07738	15.3
159.09282	11.3
161.04866	0.8
162.05595	3.3
174.05623	1.0
176.07152	4.2
181.07745	7.5
185.07198	1.5
186.05630	13.8
191.89774	0.8
199.08731	1.0
203.08286	6.4
229.06195	36.3
305.12991	7.7
349.12085	8.4
349.34225	0.7
354.65881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58820	0.5
51.65599	0.6
59.01392	3.3
64.33930	0.6
67.01923	0.6
72.08146	0.6
78.01434	0.6
78.95920	3.3
80.02668	0.6
81.03477	2.8
88.38383	0.5
92.10897	1.2
94.85193	0.5
95.01407	1.4
96.96959	1.1
107.01393	2.5
108.02171	11.8
109.02951	100.0
113.02478	0.5
123.00890	2.7
125.02454	3.3
135.04486	0.9
150.03244	1.0
151.00365	15.9
152.01151	26.3
153.01941	77.7
161.05907	0.6
207.03000	2.9
210.19176	0.6
222.30148	0.7
230.06844	0.6
301.07074	5.3
313.07172	2.6
331.08139	0.7
372.39835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	3.4
59.01385	51.1
61.98832	3.1
62.55521	2.3
62.79418	2.2
62.84051	2.2
68.38137	2.1
71.01383	4.8
74.36365	2.0
75.00894	4.8
76.89674	2.2
82.02992	20.2
85.02977	4.8
86.03404	2.4
99.00904	4.9
99.51838	2.7
101.02415	2.5
106.03012	9.9
106.06602	2.9
107.05057	3.4
109.02962	17.9
119.05070	3.0
121.04027	2.3
129.01903	3.3
129.47952	2.6
135.04543	11.9
136.04080	3.7
138.05623	12.9
139.11816	2.9
148.07707	2.8
149.03607	2.8
149.04773	5.2
153.01990	17.7
159.03000	2.8
160.62364	2.4
161.02426	3.1
163.05164	4.3
164.03523	22.3
174.05566	3.6
176.10884	3.7
179.03537	9.8
188.07195	3.2
190.08788	46.7
191.04620	30.2
191.08263	4.7
195.04993	3.8
202.08737	5.5
217.06210	16.2
218.11909	44.1
219.11456	4.1
231.07732	4.9
233.09349	100.0
244.05054	18.8
244.09937	4.5
245.09355	29.0
247.09087	2.7
258.06519	3.1
259.07321	36.6
261.12457	23.3
271.07260	24.8
286.46515	2.6
287.10394	57.0
289.07309	5.9
295.04688	5.0
305.11523	15.0
313.05777	3.6
331.09390	55.8
349.10492	94.9
349.14731	11.1
361.82294	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	348.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72134	0.3
58.68277	0.3
59.01384	100.0
74.83182	0.3
75.93655	0.3
89.68319	0.3
91.59254	0.4
205.63902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
72.35143	66.7
93.28362	63.7
108.84099	52.9
111.62064	54.5
191.07040	100.0
211.13483	89.1
246.78867	58.1
265.23730	58.1
311.22153	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.0
82.80368	6.5
90.50554	7.3
92.10078	12.5
111.44282	7.0
165.51190	7.5
311.22314	100.0
364.49945	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	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17859	1.0
59.01370	1.6
64.61296	1.2
72.96748	1.1
117.93660	1.3
128.08397	1.4
167.14322	1.4
195.13927	11.0
293.21246	6.6
311.22342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38319	3.2
96.96020	16.5
111.72010	3.3
153.12901	3.9
192.54576	3.8
265.14835	30.9
311.22379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24843	6.1
59.01386	100.0
71.49243	6.8
77.34960	7.8
81.88175	7.2
89.10692	7.4
123.66170	7.9
125.67865	7.5
141.90456	7.2
197.11786	11.4
198.12187	19.4
292.20016	9.3
310.20990	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2185
Annotation	AMD 070
Peak:m/z	Relative Intensity
52.08792	1.1
59.01384	56.1
69.93695	1.2
73.45286	1.1
120.08245	1.4
125.09711	6.6
125.57551	1.7
134.09761	28.5
160.07761	2.3
160.11310	1.6
171.10246	6.7
174.09273	2.5
176.10857	5.2
227.32657	1.3
259.60889	1.4
260.20203	1.7
266.09583	1.5
274.21814	2.1
286.21725	1.6
292.20056	7.7
304.19226	6.0
310.21191	12.8
318.20847	15.8
330.20749	9.6
348.21869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83679	6.5
54.56020	6.8
55.91607	6.7
77.33271	8.9
84.41435	6.9
115.74247	7.5
125.24154	7.7
182.20395	8.4
199.13390	10.1
211.13412	10.9
301.31070	8.5
309.20682	47.2
311.22336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.6
62.30626	0.2
65.16496	0.2
70.37589	0.2
71.01379	4.0
72.06387	0.2
73.02937	4.3
75.00878	1.3
75.14597	0.3
80.44176	0.2
83.01408	0.4
85.02957	0.4
92.10779	0.6
101.02446	1.8
113.02440	1.1
143.10783	100.0
144.11101	1.2
157.12332	2.5
185.11772	1.1
197.11850	0.5
203.41833	0.3
220.36528	0.3
237.85551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13417	4.7
54.86256	5.4
58.02989	26.5
59.01386	100.0
80.69537	4.9
105.38488	5.4
113.30894	5.8
136.48619	5.4
168.13940	64.5
197.11967	7.2
298.53925	6.1
304.19171	8.6
309.20703	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	347.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66030	0.7
55.01890	1.3
57.03461	2.2
59.01386	100.0
63.96255	4.8
71.01386	16.2
71.05038	1.5
72.99321	5.1
73.02946	8.6
74.99113	2.2
77.62784	0.8
81.47334	0.8
83.01395	3.7
85.02951	8.0
89.02462	1.0
92.50382	0.8
95.01389	1.4
99.00878	1.7
101.02433	8.6
102.80001	0.8
113.01777	0.8
113.02433	7.2
117.97327	5.5
123.08156	12.6
135.11809	2.1
135.98351	5.4
136.99115	1.0
141.09230	55.9
143.10806	3.6
153.09233	5.3
161.04596	4.7
165.09076	1.1
179.10796	6.0
183.07932	1.0
185.08212	31.7
209.11798	1.7
227.09410	1.2
227.12929	29.7
259.14313	1.1
305.16092	7.7
365.61612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1504
Annotation	CHEBI:70593
Peak:m/z	Relative Intensity
59.01382	2.9
68.62862	1.0
102.14170	1.1
102.95161	1.1
112.26284	1.1
128.01047	1.0
146.03729	4.7
159.04492	7.3
160.05283	6.8
161.02463	24.7
161.06070	2.4
172.04024	1.2
172.05292	10.5
174.03230	2.4
175.04015	61.7
176.04797	5.8
185.06122	5.6
186.06880	1.9
187.04021	2.0
187.07567	4.0
188.04790	22.4
189.05566	1.8
196.05246	1.9
199.07661	1.7
200.04828	20.5
203.03477	1.7
204.04274	7.7
208.03731	2.1
213.09258	2.0
214.06464	2.2
232.03815	5.8
241.12378	5.3
283.13452	17.4
285.11331	5.6
285.14819	2.2
297.93167	1.1
301.14420	15.5
311.12943	56.9
329.13965	41.3
347.15042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88298	0.2
54.56414	0.2
55.58892	0.2
59.01384	20.7
60.01711	2.1
61.01799	0.3
61.98833	100.0
66.43773	0.1
70.10906	0.2
78.95856	0.2
89.03746	0.2
158.03667	0.4
159.03317	0.2
160.01556	0.3
161.01221	0.2
169.16525	0.2
201.02596	2.3
202.02757	4.5
203.02327	5.3
204.00032	29.2
204.02647	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	347.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95929	21.5
59.01389	100.0
61.98831	29.7
67.47758	34.3
70.50828	23.0
71.01398	28.5
72.92301	24.7
85.02976	30.7
86.31628	25.8
89.02456	31.0
92.10818	56.3
95.10899	23.4
104.43340	23.7
111.00883	36.7
131.92560	24.9
147.24168	28.7
191.05684	43.7
195.85490	27.5
256.21674	33.4
263.55795	28.9
298.39612	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63459	44.8
59.01389	100.0
60.14935	56.9
61.27904	60.2
63.24865	50.9
63.81430	48.2
80.95470	62.9
116.36021	56.6
225.76892	74.5
291.19614	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37809	9.8
52.75632	10.6
57.26173	9.8
59.01395	25.4
92.10099	13.1
107.89193	10.9
120.99302	12.4
181.20642	13.3
241.30551	12.5
291.19794	100.0
309.20877	64.3
352.05814	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	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
65.59577	59.7
67.33742	69.5
75.11818	60.5
76.91732	61.2
90.51920	61.8
94.83986	63.8
209.11861	90.1
291.19742	85.9
309.20682	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46587	0.5
59.01393	8.8
71.01389	6.4
73.02942	1.5
75.92596	0.6
79.05531	5.4
79.74748	0.7
81.03474	2.6
83.01412	1.1
85.02960	5.2
93.14777	0.6
99.00904	1.4
101.02413	4.5
109.02988	1.2
110.02511	0.6
113.02443	3.6
123.04519	100.0
135.04504	0.9
138.05632	0.9
139.05969	1.3
147.04498	0.9
153.01915	3.9
158.59515	0.6
161.04546	8.8
195.03026	0.9
199.65097	0.7
220.96071	0.7
277.90756	0.9
285.09793	3.2
351.80643	0.6
359.08978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.3
59.01383	9.8
59.01651	0.4
60.14384	0.2
70.80493	0.2
71.01377	4.3
73.02951	5.8
73.82614	0.2
83.01396	1.1
84.02190	1.6
85.02966	1.1
92.10082	0.5
95.01391	0.3
101.02448	1.5
113.02455	1.4
123.08147	0.4
126.54149	0.3
127.11367	0.8
137.09685	0.4
141.09229	100.0
155.10768	4.6
183.10202	2.2
312.96732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14128	1.8
57.03456	2.0
59.01380	80.2
62.26736	2.3
65.03966	7.8
71.01373	28.5
71.29241	1.8
80.02679	11.7
83.54511	1.8
85.02965	12.6
88.24373	1.9
89.02426	28.3
91.05511	3.8
92.10419	8.5
93.03435	2.5
93.07112	1.9
101.02437	11.3
103.05525	54.8
106.04234	36.9
109.03012	3.1
113.02457	11.4
119.03539	3.5
119.05001	19.5
121.06583	68.8
123.00875	4.3
124.01646	48.8
125.02386	2.5
126.55573	1.9
139.00401	2.7
139.04016	15.4
153.01909	2.2
165.05566	52.0
165.67317	2.3
168.00616	76.8
180.46268	2.3
183.02988	100.0
278.53638	2.3
309.06155	12.3
345.08163	3.4
345.12064	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	345.1193
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
57.03492	2.7
57.91323	2.7
58.00597	3.8
59.01383	73.6
59.01656	4.5
64.34879	2.8
71.01382	34.8
73.02968	4.5
82.51953	4.2
84.23947	3.0
85.02944	5.8
89.02442	31.0
92.10081	6.2
93.07089	4.4
101.02448	13.8
106.04225	29.0
106.77761	3.2
113.02439	16.3
119.03456	5.3
120.99654	100.0
121.06590	66.3
139.07643	78.9
151.03937	4.4
161.09756	5.8
163.07655	21.3
165.05573	4.5
179.05649	3.6
183.06633	39.1
227.37869	3.5
255.51756	4.0
268.07504	6.7
283.09866	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	345.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36928	0.6
59.01384	93.6
62.31186	0.6
62.86091	0.7
66.00288	0.8
68.19093	0.7
71.01392	3.3
73.02954	0.7
78.95928	0.9
84.49678	0.6
85.02969	1.3
88.44830	0.7
93.03442	0.9
95.05017	1.2
96.96018	1.2
101.02471	1.5
111.02025	1.1
113.02450	1.0
123.00900	1.4
123.04521	100.0
124.01639	1.7
126.15544	0.7
138.03247	1.8
139.03999	1.8
147.06627	1.0
161.04565	3.0
166.99794	2.8
183.02946	1.2
213.05150	1.7
247.66211	0.9
285.09940	1.3
289.58209	0.8
309.11914	1.0
345.08218	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	345.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86841	0.6
57.38160	0.8
59.01384	3.7
71.01393	0.8
74.02559	0.7
79.05521	1.2
80.76844	0.9
81.02031	0.8
89.02399	0.7
94.03020	0.8
94.06744	0.6
95.03778	6.5
96.04527	1.8
96.08183	1.9
97.01676	1.2
104.05075	4.8
106.06635	16.1
121.02991	0.8
121.10235	1.1
122.06105	5.8
123.03265	1.0
124.07675	18.8
132.04556	75.8
133.05345	53.1
134.06125	15.7
146.02521	0.9
148.04048	3.4
150.05554	1.7
165.04324	49.8
176.03549	1.4
176.07158	1.2
177.04323	7.1
178.05118	3.3
184.07642	2.7
185.08435	1.3
186.09262	16.2
187.08759	1.4
198.09233	3.9
209.03284	10.3
213.06754	11.8
214.12387	16.6
215.11967	12.4
226.07538	4.4
227.08200	3.0
228.09123	1.0
229.09833	7.6
238.22182	0.9
240.10133	4.3
241.09818	7.0
255.11449	1.2
257.10266	1.7
257.12967	43.5
283.10855	13.6
301.12006	34.9
327.10043	1.0
335.04172	0.8
345.10974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07543	1.3
56.08653	1.4
57.54208	1.6
58.74161	1.5
59.01383	100.0
65.78922	1.6
71.01402	7.0
80.91679	2.4
83.28320	1.6
83.45185	1.6
85.02972	2.4
87.00875	1.8
89.02453	3.4
95.05089	1.9
95.56091	1.6
101.02465	8.9
108.80229	1.7
111.02023	3.9
113.02459	3.3
121.92025	1.6
122.51585	1.6
123.00916	9.2
123.04520	97.9
124.01623	3.4
135.04572	2.4
138.03221	2.0
147.06641	8.9
161.04593	3.6
165.01982	2.4
166.99832	3.0
181.79315	1.7
209.69264	1.8
213.05252	6.3
233.28847	1.7
307.10211	2.0
309.12012	16.3
318.83511	1.9
345.08762	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07518	0.4
57.85212	0.6
59.01388	0.5
61.10931	0.6
61.46415	0.5
64.33837	0.7
68.99799	0.5
92.10109	1.8
95.03775	5.3
96.07613	0.6
96.08200	2.3
97.01683	0.6
104.05087	2.6
106.06633	9.0
118.87849	0.5
120.99667	1.2
122.06116	3.4
124.07680	13.7
132.04553	55.1
133.05333	35.2
134.06111	10.7
146.02443	0.8
146.06024	0.6
148.04015	4.0
150.05574	2.3
152.41922	0.5
154.82428	0.5
160.07562	0.7
165.04317	41.7
172.11244	0.6
176.07146	0.9
177.04350	4.2
178.05029	1.2
184.07704	1.1
185.08484	0.8
186.09230	10.4
187.08722	0.9
198.09286	1.1
209.03300	8.4
212.10895	0.7
213.06729	7.8
214.12395	12.1
215.11909	12.0
226.07657	1.7
227.08282	1.1
229.09837	6.1
240.10332	3.2
241.09821	7.3
257.10272	1.2
257.12991	30.9
283.10953	11.0
301.12018	18.7
327.09924	0.9
345.10980	100.0
346.11279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34845	1.1
59.01390	6.0
59.16512	1.1
71.01395	1.3
76.57493	1.1
81.82704	1.1
82.95433	2.3
97.02978	1.8
97.44498	1.2
110.10513	1.2
119.05064	1.3
121.02959	2.0
123.00912	1.4
123.04565	1.7
124.01653	14.1
125.02441	86.8
134.45482	1.2
135.04514	8.5
139.00371	2.4
139.82127	1.3
148.04048	1.8
149.02391	1.5
168.00650	28.9
169.01427	100.0
179.03514	6.1
181.08018	1.3
193.01439	2.2
199.88573	1.3
307.08224	1.4
345.08289	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45716	6.3
58.51890	4.9
59.01378	57.1
71.01385	15.9
81.03484	11.9
83.74391	6.0
89.02453	28.7
91.49886	5.7
101.02426	11.1
113.02474	7.0
116.63535	6.2
119.03442	7.9
123.04527	28.7
135.04518	42.8
147.04520	100.0
241.05168	28.2
264.05402	11.4
297.04059	12.6
315.08902	13.7
345.15460	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.062
Annotation	aflatoxin B1 8,9-dihydrodiol
Peak:m/z	Relative Intensity
51.03681	1.9
54.42825	2.4
54.82747	3.0
59.01388	11.4
68.98554	2.4
75.00876	12.5
91.08938	2.5
91.92542	2.3
103.00370	3.7
111.00897	17.7
115.72503	2.3
117.03514	3.2
118.16646	2.5
121.03020	2.7
130.04173	3.6
132.02193	3.0
139.03954	3.2
141.03516	4.1
143.05023	6.6
145.02948	11.0
146.03761	3.1
147.04546	4.4
149.02463	17.7
154.04247	11.7
155.04976	2.5
157.02847	3.4
157.24789	2.9
158.03729	12.0
159.04543	6.0
161.02481	3.2
169.02971	14.1
170.03766	28.6
171.04523	38.8
172.01640	4.1
173.02448	82.7
174.03198	12.7
175.03998	34.0
181.02936	3.0
182.03775	42.0
183.04497	3.5
185.02429	13.5
185.54353	2.8
185.59618	2.9
186.03252	6.5
187.04008	19.3
197.02486	31.0
198.03259	76.9
199.04033	33.9
200.01233	12.4
201.01941	19.3
202.02696	3.1
208.03801	12.8
210.03207	10.5
211.04024	5.1
212.04794	4.6
212.92294	2.6
213.01917	25.2
214.02773	30.1
215.03488	34.8
216.04279	3.3
225.01944	27.3
226.02731	100.0
227.03503	27.5
229.01546	10.3
232.03766	5.1
239.03656	3.3
240.04317	10.6
241.01431	14.7
241.05089	46.4
242.02228	51.3
243.03014	55.2
244.03766	25.9
252.00674	3.5
253.01387	19.9
254.02243	14.2
255.03058	6.0
256.03821	14.7
257.04489	24.1
258.05252	10.8
259.06088	12.1
260.03256	11.0
268.03970	3.9
269.04556	17.7
270.01694	15.9
271.02518	33.6
271.05209	3.8
275.05618	12.2
284.03290	18.6
285.04019	22.8
286.04926	17.9
299.05664	15.2
302.04434	5.5
312.02835	12.7
317.06708	21.3
327.05240	19.0
330.03812	14.4
345.06137	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.83361	1.7
55.75861	1.6
57.36412	1.6
58.79967	1.5
59.01395	8.9
68.07584	1.6
78.59066	1.6
92.10858	3.0
93.92923	1.6
95.01324	1.8
95.97598	2.1
99.08145	2.6
101.96881	1.6
121.10259	8.4
127.11292	2.0
137.09802	2.9
170.11739	2.0
171.10281	47.5
173.82706	2.1
193.12358	11.9
208.56013	1.7
209.11749	2.2
210.27550	1.8
211.13461	2.0
225.14980	12.2
243.15990	3.2
343.24948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28135	21.9
64.34586	20.0
82.33533	21.7
110.43665	18.8
141.91235	21.1
159.27907	24.9
211.44489	21.3
217.07124	39.4
285.13416	23.4
301.16675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64809	1.4
58.14928	1.5
59.01394	12.0
64.34819	2.0
69.03443	2.0
75.73351	1.6
78.99470	2.0
81.03474	2.2
83.05032	2.1
91.64673	1.8
99.08157	10.3
109.06609	9.1
111.04455	2.1
121.02930	2.0
121.10220	2.2
127.07719	2.6
127.11259	1.6
151.11255	1.8
171.10245	18.5
193.12402	20.0
211.13426	3.2
225.15004	26.4
243.16002	7.2
289.18155	74.3
293.21115	2.4
307.19116	9.4
343.24927	100.0
361.49054	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64358	2.9
53.71111	3.0
59.01391	14.9
80.02702	4.9
82.59084	3.9
83.05069	6.4
84.02185	4.5
99.31592	3.5
121.81145	3.6
135.04581	4.9
159.04559	6.5
163.11304	6.4
181.12383	3.4
186.86156	3.5
187.36665	3.6
189.09431	4.2
209.11882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24680	15.4
51.52377	13.2
53.13792	15.2
55.60768	14.5
56.53118	15.6
59.01396	100.0
67.02648	13.7
85.77591	15.7
118.85265	21.3
281.98941	20.1
348.94650	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86381	2.6
54.82722	2.7
57.33873	2.3
59.01398	18.4
66.59515	2.5
72.93962	2.5
83.05071	4.5
84.88019	2.6
115.07676	5.9
154.22000	2.6
155.10812	2.7
163.11310	11.6
178.10052	5.1
181.12471	4.4
207.10231	4.2
209.11847	100.0
289.18106	4.9
307.19247	15.6
334.32108	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21934	0.5
59.01378	4.0
68.26347	0.5
71.01369	1.0
85.02999	1.0
88.84319	0.6
95.63250	0.6
102.50127	0.5
108.02186	100.0
113.27377	0.5
119.05042	5.8
121.02962	36.5
121.52675	0.5
123.00854	0.7
123.04523	40.5
133.02873	0.6
145.02963	2.2
152.01163	37.1
161.02434	0.8
161.06134	1.0
163.04057	4.2
167.03508	59.6
181.05037	2.8
235.06046	2.2
265.07285	0.6
307.13934	0.7
343.10339	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01383	100.0
60.44140	0.5
71.01385	4.6
73.02951	0.5
78.41927	0.4
79.32777	0.5
83.01360	0.6
85.02947	2.7
89.02450	0.6
89.48616	0.5
93.32206	0.5
97.03046	0.5
99.00893	0.5
100.22723	0.5
101.02410	3.6
113.02470	1.1
135.04623	0.6
145.03009	0.5
153.06868	0.5
161.04573	1.0
167.08969	2.0
187.38423	0.6
209.57961	0.5
235.05867	0.5
283.11984	4.6
288.63293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1403
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.23820	0.2
59.01382	2.1
71.01411	0.3
71.97758	0.2
75.79986	0.3
77.21905	0.2
77.50102	0.3
79.05543	2.5
81.03460	1.5
96.01972	0.3
97.97269	0.3
101.02447	0.3
108.02189	0.4
109.02959	0.6
111.04556	0.9
118.98102	0.5
119.05093	0.3
120.99632	0.3
122.03738	12.0
123.04519	33.9
124.01669	0.5
137.02454	1.8
137.06078	2.0
153.01936	0.5
154.02733	1.4
157.61462	0.3
163.07712	0.4
181.08713	100.0
182.09061	0.5
195.58559	0.3
195.61891	0.3
207.76155	0.3
234.72433	0.3
254.95834	0.3
277.42776	0.3
343.10373	12.7
343.14249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44818	0.3
53.53690	0.4
56.49382	0.4
59.01383	22.6
60.71055	0.5
61.08176	0.4
70.29803	0.4
81.03500	0.5
81.17240	0.4
93.03456	0.6
93.07095	0.5
94.81473	0.4
95.05009	1.9
107.05047	1.1
108.02242	0.6
109.02961	11.5
109.06593	6.8
119.05009	6.3
121.02940	12.9
122.03728	2.2
122.86910	0.4
127.16183	0.4
133.02887	0.7
135.04530	11.2
135.05505	0.9
137.06084	46.6
181.05077	100.0
200.74203	0.5
209.90390	0.5
258.16953	0.5
305.27133	0.5
343.10385	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
58.99626	1.2
59.01386	82.7
62.02610	0.7
63.54497	0.6
71.01411	1.4
74.10653	0.6
101.02494	0.7
102.98581	5.8
103.71231	0.6
113.02444	1.2
120.99618	0.9
121.02954	100.0
134.03690	0.8
135.04515	1.3
144.47893	0.7
149.06120	2.8
163.00951	0.7
173.07298	0.6
187.50783	0.7
205.32732	0.7
213.05919	1.6
248.99228	0.6
255.10349	1.4
284.58374	0.8
317.38165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.05045	0.8
52.54414	0.7
58.90007	0.8
59.01382	27.7
59.67875	0.7
64.34342	0.8
72.41317	0.7
74.34200	0.9
89.02460	1.4
92.11050	0.8
93.03455	1.0
96.64742	0.9
107.05022	1.1
109.02949	10.4
109.06583	7.7
119.05014	7.5
121.02946	12.7
122.03746	2.1
133.02960	3.9
135.04517	18.4
136.04871	3.9
137.05115	3.6
137.06078	49.1
137.07146	1.6
167.45758	0.8
179.03513	5.0
180.03877	1.2
181.05086	100.0
259.14758	0.9
343.10422	1.9
363.08112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77011	0.3
54.92655	0.2
59.01384	8.0
61.98804	0.2
68.01439	0.5
71.01392	1.1
77.06814	0.3
85.02948	0.4
110.84119	0.4
119.04987	0.3
121.02956	1.2
123.03271	15.4
135.04506	1.6
136.04904	0.7
136.07715	0.4
137.04840	1.3
138.05620	100.0
139.05989	0.5
145.02974	0.3
152.07149	0.6
161.02486	1.2
162.02777	1.2
172.83022	0.3
179.03529	0.7
180.03886	0.7
180.06665	1.9
181.08752	0.4
186.96854	0.3
222.04520	0.3
228.09999	0.3
282.09995	0.3
300.11023	2.3
337.64926	0.3
342.12265	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	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53907	0.2
59.01387	5.6
68.01433	0.2
79.35870	0.2
92.66041	0.2
93.71558	0.2
109.02930	0.3
123.03267	13.9
138.05615	100.0
139.05936	0.6
155.02176	0.2
162.02786	0.3
169.99107	0.2
180.06647	0.3
192.06743	0.3
282.09839	1.1
342.12079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
61.50220	1.0
62.07301	1.0
69.03465	2.5
77.33624	1.0
83.05041	4.7
84.02164	1.7
91.68946	1.0
97.06569	13.1
99.04498	1.4
127.11266	1.6
135.04518	1.2
135.08069	1.0
137.09619	1.2
141.09222	1.1
151.07741	1.3
151.11382	1.3
151.40546	1.1
171.10292	33.1
185.11890	1.8
193.12355	20.9
197.02864	1.3
211.13394	4.0
225.15004	25.3
243.16035	10.9
323.18744	6.2
341.19131	3.1
341.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51181	0.5
57.03452	22.8
59.01382	17.1
61.98829	100.0
65.56406	0.5
65.92376	0.6
70.81456	0.6
73.90077	0.6
85.02982	0.8
89.02432	0.8
99.04510	29.4
100.69695	0.7
101.02432	4.3
119.05006	3.7
120.05342	1.5
125.02425	6.3
135.04503	7.0
135.06624	2.8
136.04840	6.8
161.04521	1.5
163.03986	3.8
164.04312	3.0
177.07709	1.4
179.03481	3.4
180.03880	4.2
181.04996	1.6
189.18373	0.9
195.05080	1.0
217.50334	0.7
253.28638	0.6
279.07910	1.1
279.10855	23.4
297.87811	0.7
317.52686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
61.36743	0.4
69.03460	3.0
80.24218	0.4
83.05029	2.4
84.02177	9.8
84.12967	0.7
96.00256	0.5
97.02950	2.4
97.06578	12.4
99.04498	1.0
101.38963	0.5
105.27609	0.5
125.09714	2.2
137.09697	1.2
149.13405	0.6
151.11288	0.7
165.12810	1.2
171.10280	22.4
175.11272	0.8
183.13882	1.0
193.12347	20.5
193.14107	0.7
197.15547	0.8
209.11874	0.9
211.13417	3.5
221.11905	0.6
225.14964	23.6
243.16037	9.2
249.53316	0.6
253.14478	0.6
291.19830	0.7
341.23370	100.0
342.23737	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82896	1.1
56.45538	1.2
58.00611	1.3
59.01384	11.9
68.42376	1.1
69.03465	2.5
71.01412	2.4
84.02171	26.7
92.66093	1.8
97.02956	8.1
99.04501	2.5
109.06587	2.3
111.08183	2.8
119.00112	1.4
119.08624	2.0
121.63133	1.4
123.04543	1.6
123.08146	2.5
125.09720	9.1
127.11288	8.9
135.08163	2.5
151.07698	1.7
153.09233	2.0
155.10831	10.6
161.02483	2.1
171.10283	100.0
183.01257	2.5
185.11876	2.4
199.09700	2.2
201.11415	1.9
213.11296	1.9
216.97826	1.3
287.16537	1.4
291.19327	1.4
341.18915	2.7
341.23401	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82204	2.4
56.93317	2.2
57.03475	4.6
58.00594	4.8
58.32413	2.5
59.01398	13.6
71.01407	12.9
72.02193	4.7
73.02968	17.4
84.02179	3.0
85.02975	10.8
95.05030	45.9
97.06605	13.6
99.08189	4.0
100.01666	21.3
107.05013	3.2
109.06603	5.7
111.08163	4.3
113.09791	5.9
115.07684	13.4
123.08155	3.4
125.09680	3.3
127.07657	30.3
127.11280	2.6
139.07660	11.6
151.07668	6.4
151.11301	20.4
153.87410	3.0
155.10803	3.6
163.11296	4.6
169.08705	14.0
169.12369	3.8
171.10292	100.0
185.11893	4.2
199.13422	6.0
207.10306	21.6
209.11884	4.0
213.11136	3.2
217.83539	2.9
225.11340	21.0
227.12912	23.3
279.19745	13.3
305.17603	3.7
323.18607	4.9
362.27927	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.8
59.01397	14.3
63.38964	1.7
68.87552	2.1
69.03466	2.5
71.01397	4.7
72.02191	2.3
72.77752	1.6
73.02956	7.4
79.11720	1.7
83.05032	2.7
84.02180	2.4
85.02956	3.6
87.89711	1.8
90.18437	1.8
92.10123	6.5
93.03444	2.0
95.05029	26.1
97.06612	18.3
99.00916	2.3
100.01707	7.5
106.17081	2.1
107.05035	2.1
111.08165	3.9
113.09717	3.7
115.07613	2.9
121.02975	3.4
121.06620	2.2
123.08141	2.9
123.37821	1.9
125.09670	4.7
127.07643	11.9
127.11418	2.0
139.07623	4.2
151.11255	8.5
163.11304	3.3
169.08649	11.6
171.10271	66.2
185.11847	5.0
193.12317	21.6
201.11563	2.5
207.10260	4.9
213.11398	3.4
225.11371	12.6
225.14973	28.7
227.12874	10.8
243.16008	9.5
268.68890	2.4
279.19687	4.6
305.17715	9.0
323.18701	13.2
341.19614	3.7
341.23370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03452	5.9
58.00596	6.2
59.01384	14.2
63.39447	1.1
68.76159	1.1
69.03471	2.5
71.01382	8.7
72.02177	4.6
73.02954	13.4
80.02670	4.4
83.05020	1.4
84.02160	5.3
85.02937	10.0
92.10808	1.3
93.03433	1.1
95.05027	47.3
97.06587	6.1
99.00899	2.6
99.08170	5.5
100.01661	18.6
102.33071	1.2
106.04256	1.2
107.05030	6.2
109.06581	5.8
110.03713	1.2
111.00934	1.5
111.08165	1.8
113.06094	6.7
113.09731	13.0
115.07645	15.9
121.02959	2.0
123.08128	5.9
125.06059	2.7
125.09715	5.0
127.07653	27.7
127.11284	5.4
135.04495	2.9
139.07663	14.1
141.09230	8.4
149.09656	1.4
151.07645	10.7
151.11299	20.7
153.09259	1.8
153.12839	5.2
155.10817	1.3
159.99197	1.2
161.02457	2.9
163.11285	7.4
167.10771	2.7
169.08693	19.6
169.12297	7.5
171.10278	100.0
181.12308	1.8
185.11784	13.3
189.09343	4.4
191.08127	1.2
195.10306	1.9
197.11775	2.1
199.13423	8.0
201.11320	2.4
207.10313	19.7
209.11816	5.1
213.11340	10.7
215.12962	5.5
225.11314	22.9
227.12885	25.0
261.18494	1.4
279.19617	12.1
287.16403	1.6
305.17572	5.8
323.18546	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73899	1.0
57.03459	2.1
59.01390	5.5
60.32782	1.1
61.32381	1.1
69.03450	1.5
71.01387	1.1
71.05020	1.1
75.22372	1.1
75.54351	1.2
80.02685	2.6
81.03468	8.1
83.05035	13.3
84.02154	10.9
85.02971	1.7
87.21833	1.5
95.05023	1.7
97.02950	9.1
97.06569	9.7
99.04552	1.2
107.05032	13.4
108.02192	2.5
108.80547	1.2
109.06590	6.1
110.03737	2.3
111.00899	3.3
111.04481	2.2
121.02978	5.9
123.04554	1.5
123.08193	3.2
125.02444	1.8
125.06094	6.3
125.09723	10.4
127.07677	2.2
135.08096	9.5
141.09177	1.7
147.04527	1.4
153.09215	15.1
163.11319	10.1
165.12862	2.6
171.10229	13.3
176.08469	2.6
179.14452	1.4
181.12393	3.1
183.13882	1.9
185.11816	2.1
191.10725	1.7
192.11563	1.4
193.12350	2.3
197.11798	8.8
199.09975	4.1
201.11385	1.9
207.10274	15.5
209.11859	100.0
211.13441	2.2
219.10229	1.8
225.11330	4.9
225.14983	2.2
236.10594	2.0
237.11282	1.3
245.15457	2.0
254.11632	16.9
277.17963	2.0
287.16553	8.6
305.17618	8.1
341.23355	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	341.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	29.1
60.78487	4.9
63.50539	6.1
71.01411	5.4
71.10756	4.5
80.04176	5.7
80.68513	5.4
91.74267	5.0
95.65667	5.0
117.88310	5.0
123.21049	5.5
125.09756	6.8
135.08136	50.6
183.01239	7.2
249.15048	24.4
287.16785	6.3
305.17606	100.0
341.17975	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73700	11.2
51.13113	11.7
59.01396	100.0
61.29919	12.1
66.49800	14.4
71.01408	19.9
79.87733	12.7
85.72518	13.1
87.08482	14.8
89.02452	20.5
100.60589	13.0
114.39091	16.9
125.09724	15.7
135.04547	30.1
143.10835	34.1
146.99178	17.0
156.27374	16.3
161.02435	66.0
204.73119	14.0
215.46942	18.3
280.19611	16.6
341.14023	17.4
341.19687	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	341.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	29.1
60.78487	4.9
63.50539	6.1
71.01411	5.4
71.10756	4.5
80.04176	5.7
80.68513	5.4
91.74267	5.0
95.65667	5.0
117.88310	5.0
123.21049	5.5
125.09756	6.8
135.08136	50.6
183.01239	7.2
249.15048	24.4
287.16785	6.3
305.17606	100.0
341.17975	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06197	0.5
57.03465	1.1
59.01401	2.1
71.01401	2.4
72.99329	0.7
75.00872	10.1
85.02950	8.2
87.00882	3.2
89.02485	0.7
92.10892	0.6
96.59106	0.6
97.87312	0.6
100.38416	0.6
104.50398	0.6
119.05026	84.2
128.55748	0.5
129.02055	0.8
142.36917	0.5
143.09178	0.5
145.02966	1.2
146.87247	0.6
163.04019	100.0
177.04071	5.6
195.05173	5.5
219.58719	0.6
316.35034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.33755	0.8
58.00599	1.5
59.01382	100.0
68.82408	1.1
71.01378	54.4
72.99290	3.7
73.02956	1.1
81.62948	1.0
83.01384	1.5
85.02945	8.9
87.00883	4.5
89.02436	70.0
89.90829	1.1
92.10772	4.2
95.01398	2.0
101.02435	21.9
113.02444	19.4
119.03498	23.9
131.03506	4.3
143.03484	2.0
149.04582	1.9
160.17912	1.2
161.04558	6.4
178.95755	1.2
179.05627	21.5
223.98157	1.2
341.10919	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	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.52778	0.4
52.76649	0.3
59.01388	2.7
71.01388	0.7
71.58437	0.4
75.00867	8.5
77.36467	0.4
85.02948	0.6
87.00880	2.2
92.10204	0.5
99.00878	2.9
101.85862	0.4
107.05050	0.6
119.05024	10.0
126.22733	0.4
129.01929	3.6
134.03691	3.4
135.04523	100.0
159.03009	2.6
163.04016	8.6
172.56445	0.5
179.03500	68.2
195.05098	21.1
279.37030	0.5
284.53635	0.5
341.08768	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	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.82855	0.2
59.01378	0.4
71.01382	0.5
75.00874	1.5
75.52795	0.3
76.56806	0.2
76.63689	0.4
85.02981	0.3
89.02456	0.3
106.04267	0.3
107.05032	1.3
119.04973	0.9
134.03735	3.2
135.04527	100.0
151.14856	0.3
161.02460	1.6
163.04063	1.0
177.05611	0.4
179.03517	56.2
195.05119	2.1
199.20456	0.3
281.06851	0.3
291.27725	0.3
341.08603	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01132	0.4
59.01373	3.5
62.13371	0.4
63.30742	0.4
71.01389	0.7
73.65265	0.4
75.00881	2.5
82.69994	0.5
85.02920	0.6
85.91383	0.4
89.02451	0.9
90.67214	0.4
99.00882	0.5
113.95781	0.5
119.05025	1.9
129.01976	0.5
133.02954	7.4
134.03758	3.0
135.04529	100.0
137.69055	0.5
149.06102	0.6
159.03035	0.8
161.02455	20.8
177.05589	0.7
179.03513	70.7
181.01425	0.5
195.05118	6.0
203.03558	3.9
251.05351	0.6
281.06790	0.7
291.27386	0.5
341.08795	3.5
349.92499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.61366	0.5
55.27958	0.6
55.70733	0.5
58.00651	0.5
59.01382	21.4
67.32362	0.5
71.01380	9.2
73.02939	1.0
75.00871	1.0
79.84641	0.5
80.22643	0.6
85.02974	3.4
87.00869	0.9
88.23013	0.7
89.02441	7.2
91.23741	0.6
92.10815	1.5
92.65338	0.9
94.75989	0.7
95.01401	1.0
97.36314	0.7
101.02442	3.6
109.02938	1.5
113.02459	3.0
119.03527	1.2
119.05032	3.2
132.02240	0.8
133.02960	34.6
134.03754	3.4
135.04529	43.4
137.02435	4.9
149.06108	6.3
161.02457	100.0
175.04030	6.0
177.05603	5.3
179.03511	28.9
195.05203	0.8
203.03529	22.6
221.04578	4.5
233.04613	1.0
251.05594	3.4
281.06772	7.0
303.30087	0.7
341.08771	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37663	0.3
54.82212	0.3
59.01385	2.0
65.91803	0.2
71.01388	0.7
72.99363	0.3
75.00877	0.4
89.02456	0.3
93.03487	0.3
93.62156	0.3
95.59026	0.3
107.05044	0.4
119.05018	0.7
133.02959	0.7
134.03738	3.7
135.04526	100.0
136.04898	0.5
143.53926	0.3
149.06094	0.4
161.02444	4.5
163.04070	0.4
177.05605	0.6
179.03513	66.0
195.05211	0.6
221.04588	0.4
251.05800	0.5
281.06760	0.6
305.12170	0.4
341.08755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2332
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.11124	0.2
51.91193	0.2
53.80132	0.3
53.96582	0.3
73.41509	0.3
78.67249	0.3
88.03765	0.3
100.19741	0.3
130.61240	0.3
143.98869	0.3
150.66078	0.3
163.11292	100.0
164.11627	0.5
176.68088	0.3
230.36366	0.3
339.23340	36.3
340.23611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71003	0.3
59.01388	1.6
68.34175	0.3
71.01381	0.7
99.11369	0.4
106.06623	25.0
109.55540	0.4
118.06606	0.8
120.08189	0.6
134.06119	100.0
146.06105	0.6
148.07701	1.9
164.07097	0.5
174.05640	0.6
178.05101	30.0
190.05269	0.5
192.06685	14.0
205.81549	0.4
220.06157	9.7
280.08316	0.6
282.20392	0.4
340.10294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2181
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
51.27284	1.3
53.83361	1.7
57.03468	3.1
59.01395	9.6
66.81215	1.5
68.67063	1.7
69.03476	1.7
75.12453	1.8
78.98341	1.5
81.03464	4.0
95.05051	3.0
97.02938	3.5
97.06601	2.1
98.44498	1.6
109.06626	1.7
111.08132	3.0
121.06548	2.0
123.04514	9.5
123.08186	3.3
123.77381	1.9
125.09727	9.8
135.08138	2.6
137.09727	8.4
138.84523	1.8
139.07686	3.9
141.12764	2.1
143.05077	2.3
149.06062	4.3
163.07707	2.0
163.11308	11.8
165.09134	1.9
171.04517	6.7
172.12999	1.7
173.06100	2.4
179.10701	3.3
181.12431	2.4
183.01245	8.6
185.06102	7.9
185.11832	21.9
191.10867	1.9
191.14398	11.3
195.04588	2.2
196.69063	1.9
197.06081	7.5
199.04016	10.5
207.10352	8.3
212.04749	2.8
213.05635	18.3
224.04971	2.2
225.11259	7.2
241.05106	54.9
242.05841	3.5
245.19116	41.4
271.17090	2.5
289.18134	100.0
293.10056	1.7
307.19165	32.2
321.20853	7.6
324.19388	6.9
339.12399	34.1
339.16452	7.6
339.21783	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46326	0.4
59.01384	2.4
69.03465	0.7
72.99292	3.0
97.06598	4.8
114.89246	0.4
125.06084	17.7
130.02176	0.5
143.07146	43.0
146.84061	0.4
151.11299	12.3
152.42435	0.5
169.12346	100.0
170.12762	0.4
171.38780	0.6
195.10378	0.5
213.11354	58.6
214.11697	0.5
232.86435	0.5
235.13440	0.4
237.14954	1.9
293.41959	0.4
309.43390	0.5
321.20581	1.7
339.18250	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	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92406	1.5
73.09544	1.7
73.18937	1.9
76.42453	1.6
78.09762	1.6
79.95794	1.6
87.90102	2.0
102.38651	1.9
108.51479	2.5
170.00319	1.8
183.01222	80.5
184.02112	2.6
197.02837	3.2
210.59686	2.1
339.20029	100.0
352.08200	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	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.1
57.05431	0.7
59.01389	100.0
61.98835	25.4
62.34612	0.9
66.40038	0.9
71.01387	25.2
72.99329	1.0
73.02966	5.9
78.95899	2.3
81.03491	2.1
83.01427	1.0
85.02959	7.6
87.00886	4.4
89.02441	28.2
93.24235	0.9
95.01379	1.7
99.04530	4.4
101.02428	13.6
108.09206	1.0
113.02450	13.1
115.00349	3.4
119.03491	10.9
133.01436	4.5
143.03535	1.3
159.02997	1.3
161.04581	8.6
179.05621	11.8
182.75934	0.9
230.43901	0.9
235.08212	5.7
279.10928	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	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56243	0.7
56.89854	0.7
58.00611	1.1
59.01384	100.0
61.98844	4.6
65.96266	0.8
67.34344	0.8
71.01381	42.0
72.99316	2.1
73.02953	1.5
75.00870	8.3
78.95906	1.4
83.01409	1.3
83.31316	0.8
85.02969	7.6
87.00903	0.8
89.02439	43.7
91.99557	0.8
92.10167	1.8
95.01382	1.7
96.96990	0.9
99.00913	1.0
99.04549	1.3
101.02435	13.2
102.01652	1.3
104.82198	0.9
113.02440	14.2
113.03020	0.8
115.14409	0.8
117.05593	1.2
119.03497	16.0
119.09981	0.9
122.07359	0.8
131.03506	1.7
139.04018	8.5
143.03551	1.5
161.04575	4.3
179.05617	5.6
241.01169	1.0
339.09622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46058	2.5
54.82980	2.4
59.01385	6.6
72.76030	2.7
73.55871	2.8
80.68348	3.0
81.03461	23.0
103.92696	3.0
109.02965	4.0
123.04519	37.9
123.13560	2.9
138.06590	2.9
146.03752	34.0
151.03999	4.3
159.04518	56.5
161.02429	34.4
173.06148	4.7
187.04021	100.0
197.06134	5.0
211.07510	2.9
215.07137	19.7
215.12721	3.5
216.07945	98.3
225.05838	2.8
227.10568	3.4
241.05077	6.4
267.06674	5.1
281.08176	5.2
284.06964	4.5
295.09763	4.4
311.13165	5.5
339.12418	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.124
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
52.45458	1.2
55.33493	1.1
56.48783	1.0
57.03466	1.5
58.58348	1.2
59.01389	2.1
60.09255	1.2
61.25919	1.0
61.98800	1.0
65.37811	1.3
81.03470	2.1
83.30287	1.3
84.39748	1.6
86.28876	1.2
87.14805	1.3
97.02966	2.3
123.04547	5.6
125.09723	3.2
137.09734	2.9
139.07661	1.8
141.07088	2.0
143.05037	5.3
163.11293	7.1
169.06602	2.3
171.04530	9.4
172.05305	1.6
173.06107	5.1
181.12421	1.9
185.06073	17.4
185.11855	6.7
191.14375	3.4
195.04515	6.3
196.05350	6.7
197.06085	18.6
199.04005	20.8
201.77838	1.5
207.10374	6.1
212.04836	5.3
213.05598	31.4
224.04703	3.3
225.05716	2.1
225.11418	1.8
240.04352	2.5
241.05096	100.0
242.05943	12.0
245.19179	13.8
271.17215	1.4
289.18100	39.4
307.19119	15.2
321.20743	2.4
339.12454	66.7
339.16498	5.2
339.21686	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53196	0.9
56.62854	1.0
58.99765	1.0
59.01390	6.0
59.55030	1.0
67.22839	1.0
72.81511	1.0
81.03448	17.4
81.03862	1.0
96.15202	1.1
109.02961	4.9
119.68228	1.2
123.04525	25.3
146.03732	21.3
149.02490	1.7
151.04045	4.2
159.04506	27.6
161.02448	9.4
162.03223	1.3
163.03972	1.7
172.05357	2.8
173.06055	9.7
174.03224	2.5
183.04465	2.0
187.04007	80.7
187.07613	11.3
187.35999	1.3
197.06134	1.7
200.04840	1.7
201.05547	12.9
201.09395	1.2
209.06059	2.0
215.07162	18.0
216.07932	57.0
223.07677	4.1
225.05574	4.4
227.10760	1.6
239.07066	1.8
241.04984	1.6
243.14021	1.3
253.05124	2.1
254.05923	2.0
255.06636	2.0
263.73352	1.2
266.05701	1.8
267.06671	35.6
281.04623	2.0
281.08224	6.8
282.05350	5.9
284.07025	1.4
291.06735	1.6
295.06204	5.6
295.09818	7.4
309.07858	2.7
311.12744	4.1
321.11435	6.5
339.12402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29136	0.3
59.01386	0.9
59.83105	0.3
62.41323	0.3
62.94223	0.3
67.01878	0.3
81.03450	9.8
81.63224	0.3
107.05043	0.5
108.02177	0.5
109.02974	0.6
122.03686	0.8
123.04513	10.5
123.05368	0.6
125.03831	0.4
131.05029	1.4
135.04593	0.4
146.03754	0.8
147.04509	0.8
147.99335	0.4
151.04019	2.5
159.04518	14.2
161.02438	1.6
163.07744	0.5
166.97609	0.4
171.04544	0.6
172.05310	4.9
173.06053	12.0
174.03204	1.9
175.04012	1.9
183.08130	0.5
187.04019	14.9
187.07626	12.7
188.08377	0.5
196.05273	0.6
197.06085	2.2
200.04834	1.7
201.05568	15.9
205.08456	0.4
209.06079	2.0
210.06918	0.7
211.07660	7.3
213.09293	0.7
215.07133	6.0
216.07942	12.9
221.06184	0.4
222.06886	2.3
223.07672	0.7
224.04811	2.6
225.05548	2.2
225.09242	1.9
227.10820	2.0
233.09830	0.7
235.07675	2.0
236.08449	1.7
237.05522	2.2
237.09167	0.8
238.06406	5.6
239.07146	3.1
241.05264	1.3
249.05385	0.5
251.07904	0.5
251.10747	6.9
252.07903	0.9
253.08693	6.4
254.05922	0.8
255.06824	0.5
263.07132	2.1
265.05118	2.7
266.05899	8.3
267.06647	8.9
267.09979	0.6
268.07422	0.4
277.08856	0.4
279.06625	2.2
279.89410	0.5
280.07452	8.3
281.08185	8.4
291.06628	2.3
295.09778	100.0
296.10181	1.5
309.07785	7.4
310.08533	2.7
312.06439	5.6
321.11392	2.2
329.91989	0.4
339.12372	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	339.0724
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.56086	0.2
55.37301	0.2
55.64090	0.2
59.01385	1.0
59.03234	0.2
64.64963	0.2
64.84531	0.2
64.87014	0.2
67.48792	0.2
74.96326	0.2
76.66945	0.2
80.11611	0.2
81.03475	0.5
89.03971	2.5
96.14115	0.2
104.02721	0.2
105.03465	4.6
109.02976	0.3
133.02957	12.3
149.02432	1.4
177.01935	100.0
178.02319	0.5
185.00525	0.2
339.07321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1238
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
58.87665	2.1
59.01390	4.0
60.10280	1.7
64.66982	2.1
64.73409	2.4
92.10856	2.4
96.10106	2.2
141.07114	4.5
143.05023	5.0
167.04904	2.6
171.04572	16.1
173.06065	8.6
183.01248	4.8
185.06050	22.1
195.04488	4.4
196.05373	5.0
197.06126	19.6
199.04063	30.3
211.04004	2.5
212.04794	2.8
213.05624	45.3
224.04828	3.5
241.05110	100.0
242.05785	13.9
339.12451	94.6
339.16321	10.7
355.04800	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	339.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13306	0.5
57.03468	1.5
59.01386	12.1
60.01716	0.6
61.01805	0.7
62.71084	0.6
64.66499	0.6
68.99817	0.9
69.03472	0.8
71.01394	4.8
85.02985	4.0
89.02478	1.7
92.10126	2.1
99.00908	3.7
107.05083	0.9
109.03062	0.7
111.00880	1.1
117.03507	0.8
119.05016	1.2
129.01929	3.8
132.02219	1.1
133.02956	35.1
134.03732	8.0
134.84807	0.8
135.04524	91.5
136.04849	0.8
137.02452	0.9
139.35512	0.7
141.01886	0.7
147.04568	1.4
149.06084	0.9
161.02451	100.0
163.04013	6.5
173.02434	1.1
174.03287	1.3
175.03903	1.1
177.01939	1.4
177.04085	2.7
177.07712	3.1
179.03508	36.9
189.05577	4.0
191.03500	3.2
217.04997	2.6
219.03015	9.4
339.07285	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	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56086	0.2
55.37301	0.2
55.64090	0.2
59.01385	1.0
59.03234	0.2
64.64963	0.2
64.84531	0.2
64.87014	0.2
67.48792	0.2
74.96326	0.2
76.66945	0.2
80.11611	0.2
81.03475	0.5
89.03971	2.5
96.14115	0.2
104.02721	0.2
105.03465	4.6
109.02976	0.3
133.02957	12.3
149.02432	1.4
177.01935	100.0
178.02319	0.5
185.00525	0.2
339.07321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11031	3.9
58.57262	3.7
59.01391	21.3
62.38837	3.4
66.14631	3.7
90.46758	3.8
109.06627	4.9
153.09134	11.5
189.12779	4.9
243.17545	22.8
287.16516	22.7
305.17630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
79.95747	7.5
83.41922	1.2
95.58940	1.3
95.95226	2.4
96.96006	100.0
183.38409	1.3
255.23232	7.1
337.20584	98.8
340.72601	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	338.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57759	0.3
57.02203	0.3
58.02750	0.3
58.02983	2.9
59.01387	1.6
60.86823	0.3
61.79501	0.3
66.71644	0.3
70.68942	0.4
72.77542	0.4
76.57331	0.4
81.76328	0.3
97.06588	0.8
102.29782	0.3
128.10812	11.6
130.08731	100.0
172.09813	2.6
214.95627	0.4
238.81392	0.3
338.19769	36.0
339.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2023
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
50.55280	4.8
54.82873	6.0
59.01398	23.3
72.32169	5.7
76.57926	7.9
81.03476	6.3
83.01403	7.4
86.07269	6.2
107.05016	52.1
121.02974	8.2
123.04518	12.1
125.02433	8.2
125.06136	13.5
125.09752	26.7
135.08177	30.8
137.06090	15.0
153.09233	15.4
159.39729	6.2
161.09714	6.9
185.11829	23.0
191.10785	16.1
197.11852	13.0
217.12270	10.6
243.17584	47.9
287.16467	48.9
305.17566	44.6
319.19229	100.0
322.17841	15.1
337.20258	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09271	1.8
59.01386	61.4
68.42383	2.2
80.74139	1.9
86.48312	2.2
165.00514	3.7
189.82298	2.4
191.05666	11.4
233.10365	90.1
233.12616	4.4
255.23303	4.6
277.16611	100.0
288.57153	2.2
299.67096	2.4
328.79538	2.5
341.32095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
71.01400	8.8
71.44031	1.0
72.99307	1.8
73.81117	1.2
83.01411	1.5
84.00912	19.9
85.02960	5.1
89.02454	8.7
93.03458	1.3
96.96017	1.9
101.02457	12.1
113.02476	2.0
119.03526	8.2
119.41975	1.1
137.02449	13.9
137.03323	1.4
146.09546	1.2
157.09840	20.9
179.03479	2.6
179.07504	1.2
204.56819	1.1
224.84341	1.4
239.05318	1.2
299.07776	14.7
344.26187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62216	1.5
55.01886	8.7
57.03460	3.5
59.01380	77.7
69.61321	1.6
71.01376	71.1
71.05019	6.8
72.99288	3.1
73.02942	32.8
73.13398	1.4
83.01403	10.2
85.02950	34.8
87.00877	3.7
89.02431	19.4
93.03443	2.9
95.01362	3.3
96.59498	1.5
96.96054	3.2
97.02961	3.1
99.00276	2.1
99.00887	9.7
101.02440	44.7
105.40463	1.5
109.14759	1.4
113.02454	26.7
113.90221	1.6
115.04005	41.2
119.03516	6.2
121.02959	6.9
139.04013	100.0
159.03024	2.0
161.04555	25.1
179.05588	7.8
233.10327	16.3
236.98552	1.4
251.17300	1.8
277.09299	54.2
301.09302	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09491	0.6
59.01385	100.0
71.01405	2.9
72.01107	0.6
85.02972	1.5
89.02461	1.3
101.02464	1.3
111.27943	0.6
113.02470	3.6
115.07655	59.6
129.09200	1.4
135.04510	0.7
140.98863	0.7
146.66289	0.7
157.08748	0.9
161.04593	2.5
169.12189	0.6
173.75607	0.7
175.06163	2.8
277.12927	1.4
308.62833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70890	0.6
58.00596	0.9
59.01390	100.0
63.30254	0.6
63.35963	0.7
64.50838	0.7
68.55606	0.6
71.01393	14.8
72.99307	0.7
73.02952	0.8
78.95919	3.0
85.02968	3.5
87.00890	3.3
89.02448	20.5
95.01396	0.9
96.96031	0.9
97.02963	0.8
99.00871	0.9
101.02453	8.6
110.30858	0.8
110.62981	0.6
111.02040	1.2
113.02469	6.5
115.03996	1.0
119.03496	9.6
126.58372	0.7
143.03545	0.8
150.18633	0.7
161.04507	2.5
162.89345	0.8
179.05621	6.0
202.97629	0.6
269.07571	0.7
277.09372	0.9
337.64368	0.7
339.53012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56207	0.3
57.03457	0.7
59.01385	13.5
60.99310	2.1
67.01906	6.5
69.03468	1.7
71.01396	1.6
73.81902	0.3
81.03474	1.7
83.05041	1.5
83.65083	0.3
85.02962	8.0
87.00885	8.7
93.03460	33.4
99.00894	0.4
99.04524	0.7
109.02937	0.7
111.04518	5.1
119.05026	16.0
124.81582	0.4
127.04008	2.0
129.01939	1.5
137.02419	0.4
137.36165	0.4
145.02962	2.3
155.03490	0.7
163.04036	10.5
173.04553	9.2
191.05627	100.0
233.69463	0.4
337.09451	3.5
347.60052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03456	0.6
58.83985	0.4
59.01391	2.5
59.50942	0.4
60.99314	0.8
67.01894	6.5
68.26873	0.4
69.03461	1.0
70.34066	0.4
71.01385	2.8
71.87290	0.4
73.74873	0.4
81.03473	1.7
83.05045	0.6
85.02949	7.3
87.00868	8.8
93.03452	30.3
99.00885	0.4
99.04499	0.8
107.53077	0.4
108.55618	0.4
109.02946	0.7
111.04539	5.0
113.02509	0.4
113.20512	0.4
117.02158	0.4
117.03487	0.5
119.05027	13.2
127.04018	2.3
129.01938	0.5
145.02963	2.4
155.03455	0.8
163.04019	11.7
173.04544	7.6
191.05623	100.0
337.09244	3.3
341.81119	0.5
348.33405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
54.71602	0.1
57.03460	0.2
58.71029	0.1
59.01367	1.5
61.15568	0.1
67.01899	0.8
69.03452	0.3
71.01380	0.6
78.95889	0.2
80.71808	0.1
81.03471	0.3
83.05034	0.3
83.22447	0.1
85.02946	11.7
87.00868	2.4
93.03452	5.3
99.04510	0.4
109.02977	0.7
111.04526	1.7
117.03484	0.2
119.05016	1.9
127.03996	2.6
145.02965	0.9
152.99596	0.4
155.03503	0.7
163.04037	1.7
171.02979	0.8
173.04512	1.8
191.05620	100.0
192.06035	0.4
294.39597	0.2
306.15564	0.2
337.09348	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	337.0781
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
52.35268	1.1
54.58535	0.9
57.03467	1.3
59.01384	28.0
59.50613	1.4
68.99566	5.4
69.03452	1.4
70.23388	1.0
71.01379	16.5
72.55771	1.0
73.02935	1.3
83.01342	3.9
85.02946	7.8
87.00890	8.6
89.02443	3.0
96.96014	27.4
99.00872	13.9
101.02466	10.9
111.00888	2.6
112.98621	5.5
113.02429	10.0
113.99582	32.8
115.00373	33.7
127.00373	2.0
129.01936	5.6
142.99915	2.0
145.01459	6.0
157.01392	6.9
161.00777	1.5
162.89357	10.9
169.01460	1.5
174.01704	25.5
193.07153	2.1
216.91093	1.7
274.82550	1.5
277.05670	20.4
287.78305	1.2
313.17706	1.3
337.07819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.4
71.01393	8.0
72.99311	2.5
73.02940	2.6
77.69843	1.2
83.01398	6.5
85.02979	2.0
87.00869	10.5
93.03484	1.5
99.00866	8.9
109.02950	12.9
111.87134	1.2
115.00382	18.2
119.05067	1.8
121.06654	2.2
133.02986	16.0
135.04541	6.5
137.06087	1.8
145.02911	1.6
147.04539	9.3
148.05283	6.2
149.06097	100.0
159.03050	1.4
159.04562	2.0
161.02464	26.1
161.06100	1.9
163.04047	4.6
165.05605	1.8
175.02470	10.4
175.04008	16.9
177.01970	13.8
187.04076	1.5
189.05548	2.3
191.03622	1.8
191.05589	1.5
193.05188	9.8
205.04895	1.7
206.02213	2.3
219.03053	22.8
233.04674	12.9
237.04082	29.9
249.07774	2.8
264.28653	1.3
275.05975	1.3
277.03662	6.2
293.06750	4.9
337.05585	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	335.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26717	20.1
57.03464	30.5
59.01390	100.0
67.10898	23.7
72.07845	18.3
96.57773	20.1
113.09727	24.5
158.07133	18.8
178.83926	26.5
193.12471	30.0
193.29265	19.2
193.31320	19.8
217.28107	19.7
277.18405	24.6
288.58533	22.3
316.29254	24.9
335.14133	47.9
335.22433	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	335.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37838	5.4
54.08213	4.9
54.82444	6.5
57.03466	7.9
59.01381	16.5
76.56969	6.2
92.10740	7.5
113.09715	8.3
136.16940	7.8
136.65685	7.2
173.13362	7.6
193.12343	26.5
255.21111	8.1
267.41412	6.6
270.91022	7.5
273.22253	30.5
317.21326	86.5
335.22385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.4
71.01393	8.0
72.99311	2.5
73.02940	2.6
77.69843	1.2
83.01398	6.5
85.02979	2.0
87.00869	10.5
93.03484	1.5
99.00866	8.9
109.02950	12.9
111.87134	1.2
115.00382	18.2
119.05067	1.8
121.06654	2.2
133.02986	16.0
135.04541	6.5
137.06087	1.8
145.02911	1.6
147.04539	9.3
148.05283	6.2
149.06097	100.0
159.03050	1.4
159.04562	2.0
161.02464	26.1
161.06100	1.9
163.04047	4.6
165.05605	1.8
175.02470	10.4
175.04008	16.9
177.01970	13.8
187.04076	1.5
189.05548	2.3
191.03622	1.8
191.05589	1.5
193.05188	9.8
205.04895	1.7
206.02213	2.3
219.03053	22.8
233.04674	12.9
237.04082	29.9
249.07774	2.8
264.28653	1.3
275.05975	1.3
277.03662	6.2
293.06750	4.9
337.05585	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	335.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99359	0.9
57.03470	2.2
59.01384	5.8
62.88495	1.2
69.03471	1.5
75.35688	1.0
84.02188	2.0
85.02944	1.1
92.10188	1.6
95.05045	2.8
98.03734	3.1
109.06612	1.6
123.04552	1.4
125.06102	1.2
127.11288	6.9
139.03374	1.6
139.11285	1.4
143.98729	1.1
149.09747	2.7
151.11293	2.8
165.12869	15.2
167.10783	15.3
167.14372	1.3
168.11554	32.5
169.12317	2.1
179.14453	1.8
183.13864	3.1
193.12430	1.5
195.84795	1.2
207.14069	1.6
212.73314	1.4
219.17549	6.4
223.13397	2.7
273.22278	16.3
317.21252	100.0
335.22293	22.4
338.02744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.7
57.03459	1.0
59.01384	24.8
61.12840	0.6
71.01375	11.5
72.99305	3.1
73.02952	4.6
73.10124	0.7
79.21543	0.6
80.53609	0.6
83.01411	4.8
85.02951	7.1
86.06136	1.0
87.00897	3.0
89.02439	1.5
99.00870	1.6
101.02435	5.5
109.67820	0.7
111.00897	1.2
111.04525	4.3
111.93870	0.7
113.02478	2.9
127.11304	3.4
129.05621	1.1
132.06654	11.5
133.02982	1.0
135.04523	6.9
143.82851	0.7
145.02937	0.8
155.03462	5.3
155.10880	0.9
161.02434	1.6
163.03908	0.8
171.10295	0.9
173.04491	4.9
173.11823	43.3
179.03522	3.0
189.08798	4.3
248.93102	0.8
317.16080	3.3
335.17175	100.0
336.17526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85809	9.2
57.68689	9.3
59.01385	84.6
72.70606	12.7
83.51102	11.0
88.00124	13.3
161.94452	11.9
189.92020	13.9
253.21748	78.3
259.56247	12.7
266.19958	12.7
335.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	15-epi-PGA1
Peak:m/z	Relative Intensity
51.12482	1.3
54.82353	1.1
56.43096	1.1
57.03485	1.4
58.98271	1.3
59.01386	11.1
61.22916	1.1
65.16254	1.3
65.58678	1.1
83.54174	1.3
87.25697	1.2
97.06588	2.9
99.08155	6.6
113.09724	9.4
123.08145	1.5
128.08414	1.7
129.09200	2.7
139.11365	1.4
141.09190	9.5
143.10768	2.2
151.11293	1.6
154.10017	1.7
155.10742	1.5
165.24265	1.5
169.12328	1.9
180.50589	1.3
181.12372	2.2
189.09550	1.4
191.14433	2.3
193.12360	1.6
207.13934	17.8
237.14886	3.0
273.22293	5.9
291.23331	9.2
307.80368	1.4
317.21295	20.5
335.22330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.1
57.03452	1.1
58.00600	1.3
59.01382	55.6
63.29156	0.8
71.01374	29.8
72.99301	1.0
85.02940	6.6
89.02435	28.5
89.02929	1.4
92.10708	1.1
93.03423	1.0
95.01373	1.3
98.95650	0.8
101.02438	11.4
111.08158	100.0
113.02444	9.5
115.92102	1.4
119.03470	10.6
129.44792	0.9
131.03490	0.9
143.03459	1.3
155.07146	57.8
161.04549	1.5
179.05623	5.8
191.30475	0.8
335.13599	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	335.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55555	0.8
55.01876	1.8
57.30853	0.8
57.43492	0.9
59.01381	22.8
62.79217	0.8
71.01376	11.8
71.20425	1.1
72.99325	2.1
73.02941	2.2
83.01384	2.3
85.02952	8.5
89.02447	1.2
92.10751	1.8
93.65546	0.9
99.73789	0.9
101.02409	7.0
108.68721	1.0
109.02959	1.3
111.00872	1.9
111.04515	4.2
113.02451	1.1
127.11207	1.4
132.00427	1.2
132.06656	12.2
133.02948	2.5
135.04526	9.7
141.25291	1.0
155.03490	6.5
155.10754	1.9
161.02446	4.8
162.13002	1.0
173.04501	2.1
173.11816	47.2
179.03465	2.0
180.95737	1.0
189.08736	1.7
203.20143	1.0
225.44997	1.1
317.16077	4.3
335.17154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76003	1.4
51.68915	1.5
53.26364	1.3
54.30179	1.7
57.65369	1.7
59.01382	64.6
60.60756	1.7
71.01376	26.8
73.02949	35.2
83.01405	7.2
85.02948	2.0
85.06576	15.3
89.02433	3.8
92.08795	2.0
101.02448	25.7
113.02467	3.5
113.06078	4.4
127.07661	3.7
131.07123	50.7
186.77196	1.9
280.26566	2.1
287.60852	2.1
293.12445	8.9
335.13565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80513	0.6
59.01379	17.2
62.53826	0.6
63.83481	0.8
71.01384	6.7
72.99326	1.1
73.02965	5.2
78.57595	0.7
79.33646	0.7
83.01421	0.8
83.05043	5.1
85.02962	1.6
85.06586	31.3
87.00868	0.9
93.03450	18.2
95.01375	0.9
96.99940	0.8
101.02442	2.8
109.03020	0.9
109.06625	0.9
111.04546	4.9
111.08152	14.7
113.02446	1.2
114.38386	0.7
115.07648	1.7
122.06053	1.0
127.07673	1.2
131.07133	100.0
132.02180	1.1
133.02950	20.8
134.03717	3.1
135.04521	34.4
137.02420	5.2
153.09285	0.8
155.03490	1.1
161.02441	39.9
173.08186	18.5
179.03503	20.2
189.38007	0.9
196.76160	0.9
199.33263	0.8
275.11444	3.3
293.12491	1.4
335.07758	11.5
335.13474	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	335.0776
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01386	3.9
69.03466	0.4
71.20098	0.4
73.02932	0.9
74.21454	0.4
74.74488	0.4
78.80463	0.4
81.03458	0.5
82.43443	0.4
83.05033	1.7
85.32098	0.4
92.10098	0.4
93.03457	11.9
107.05051	1.8
111.04535	2.9
113.06087	0.9
117.03462	0.6
133.02966	8.9
134.03746	5.6
135.04526	100.0
136.04861	0.7
137.02480	3.7
155.03502	2.5
161.02455	19.5
173.04543	1.8
179.03508	53.5
257.33731	0.5
335.07776	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	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.13065	0.6
57.13946	0.6
59.36278	0.7
65.31931	0.6
69.11158	0.7
73.02966	1.0
81.03467	0.8
85.06604	1.3
93.03453	13.3
99.14447	0.7
111.04542	3.8
131.07130	6.9
133.02985	10.2
134.03766	5.5
135.04532	100.0
137.02455	3.7
141.23056	0.7
155.03514	1.5
161.02463	20.5
179.03506	63.6
211.14574	1.0
241.59665	0.8
335.04126	1.3
335.07813	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36489	0.9
51.99185	1.1
59.01394	100.0
59.13765	1.0
64.03049	1.0
79.64056	1.1
92.10145	1.4
116.92839	1.7
146.28168	1.1
152.99745	1.1
208.33401	1.2
226.23557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41673	0.7
55.07576	0.7
59.01717	0.6
61.98835	100.0
67.82149	0.8
140.37810	0.7
171.65530	0.7
229.09195	0.8
245.06027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	(-)-Cassaic acid
Peak:m/z	Relative Intensity
52.34681	2.6
55.40288	2.0
56.79523	2.3
57.03460	6.0
59.01389	34.7
61.57257	2.5
71.01380	3.7
76.57669	2.7
81.03490	4.4
83.05030	5.7
97.49495	3.0
98.03735	4.2
109.06586	6.0
111.04523	3.5
111.08173	4.9
112.73235	2.7
125.09712	14.2
135.04602	3.6
135.08195	3.0
149.09697	6.2
151.11240	4.1
153.09225	26.8
155.10774	18.3
166.10004	14.3
167.10815	14.7
177.09274	3.2
177.12892	6.2
179.14386	5.3
193.12360	18.0
195.13966	3.1
205.12366	3.8
223.13495	4.4
271.20673	34.0
289.21692	26.0
315.19760	46.5
333.20810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2076
Annotation	(-)-Cassaic acid
Peak:m/z	Relative Intensity
57.88925	2.0
59.01397	11.7
61.32334	1.8
61.41664	2.1
61.80923	2.0
66.10368	1.8
67.92150	2.1
69.03465	15.6
71.01398	10.1
97.02947	25.0
97.06596	4.4
98.03751	5.1
100.97151	2.2
107.74250	2.4
112.95724	2.6
113.09727	4.6
123.04551	3.4
123.08156	4.1
125.34927	2.3
139.07712	3.5
141.09219	35.0
147.11931	3.3
167.10782	9.5
175.65561	2.7
180.11571	2.6
181.77879	2.3
184.08281	2.3
189.12901	3.5
205.12401	3.9
207.13977	25.2
208.36447	2.8
217.15994	15.6
264.13647	3.0
271.20746	28.5
284.18625	2.6
289.21738	14.6
315.19708	39.2
333.20770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2074
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
55.47544	3.2
56.03992	3.2
57.03454	14.7
59.01388	20.3
69.03465	15.6
75.20950	3.0
77.85326	3.1
80.02695	3.7
92.10789	4.0
95.05009	16.0
97.02946	34.9
163.11227	4.6
165.09200	6.2
166.09978	45.3
167.10742	6.8
217.16014	18.9
271.20734	77.2
315.19739	100.0
328.74402	4.1
333.20721	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12458	4.1
57.03461	28.9
58.73164	4.5
59.01384	87.9
60.58738	4.5
69.03455	50.6
71.01392	7.0
83.05029	9.5
93.03490	9.0
95.05030	23.0
95.38412	5.1
97.06602	9.5
107.08695	9.2
109.06580	7.4
111.08175	46.0
113.09722	10.0
119.08694	6.1
121.06570	9.5
121.10204	6.1
123.08175	9.7
133.10300	6.8
139.07709	6.1
149.13475	4.9
151.11269	23.7
153.09190	19.7
165.27446	4.6
169.12332	8.0
173.13292	10.3
175.11185	9.4
177.09206	7.2
177.12833	10.8
189.12907	8.6
191.14322	9.8
193.12350	100.0
195.13878	6.8
201.26794	5.0
205.12326	7.8
207.13895	20.6
209.85301	5.9
217.12303	9.8
217.15883	5.6
221.11781	25.8
223.13405	39.7
235.13354	29.6
246.12595	33.9
262.20795	5.2
271.20605	28.3
287.20340	7.7
302.60861	6.1
315.19547	49.2
333.20755	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.3
57.03458	2.8
59.01384	77.9
65.41088	1.4
71.01379	48.9
72.99303	2.6
73.02934	11.0
83.01398	9.4
85.02943	23.8
86.00101	1.4
87.00871	1.8
89.02446	22.4
95.01399	3.4
96.96011	1.5
97.02970	1.4
99.00860	2.1
101.02438	36.2
104.29803	1.6
109.03048	1.4
111.00944	1.7
113.02449	16.9
119.03489	5.1
122.03789	2.4
125.49322	1.4
127.89925	1.4
135.04567	2.2
136.01646	2.4
136.71510	1.5
141.51920	1.4
153.09167	13.3
161.04651	1.9
171.10358	1.6
178.02802	2.1
179.03494	7.5
259.09821	2.7
267.82910	1.4
289.16623	2.5
300.62308	1.5
328.79642	1.6
333.06290	4.4
333.09805	16.6
333.15619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64379	0.3
54.04143	0.3
55.01880	1.4
57.03427	0.5
59.01384	100.0
61.98837	1.2
62.19742	0.3
64.40082	0.3
71.01379	5.7
71.01733	0.4
73.02947	2.7
83.01389	1.9
83.57041	0.2
85.02954	5.2
89.02457	0.3
89.04552	0.3
92.26063	0.3
95.01384	0.4
99.00877	0.7
101.02438	6.5
113.02441	2.1
148.44328	0.3
161.04558	2.2
177.70563	0.3
291.18167	5.6
328.92148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1921
Annotation	Gibberellin A53 aldehyde
Peak:m/z	Relative Intensity
51.88128	13.9
59.01390	86.5
62.65621	12.8
69.03490	17.9
71.01407	21.2
77.56296	14.1
91.78848	16.5
97.02946	16.2
121.02999	14.6
133.10223	17.2
141.09248	20.8
160.83676	14.7
161.76523	15.4
162.15627	15.0
199.97644	15.5
205.12291	18.4
215.14482	21.5
269.19153	62.0
281.90393	16.2
287.20151	15.9
313.18188	29.3
331.19080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1919
Annotation	Gibberellin A14 aldehyde
Peak:m/z	Relative Intensity
57.03468	11.3
59.01385	17.3
64.13657	2.2
69.03445	2.8
79.78458	2.6
81.03482	3.9
91.05550	4.1
95.05051	12.3
97.02935	17.3
106.04243	4.2
107.04991	2.2
109.06602	4.1
121.06590	38.2
123.04507	3.4
123.08141	2.9
135.08160	16.6
142.02815	2.4
147.08147	5.2
149.06091	5.7
149.09688	5.6
154.79306	2.5
161.09714	9.7
163.07625	4.6
163.11296	4.2
164.08473	28.9
177.12856	4.1
187.11455	2.6
187.25449	2.5
191.47578	2.5
205.12308	4.2
211.13364	3.9
215.14421	27.5
221.15552	4.9
269.19159	100.0
313.18124	24.6
331.19159	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28641	4.1
53.11536	4.3
54.17943	4.1
59.01386	8.9
66.10062	4.2
69.03461	21.5
71.01395	4.7
78.19905	4.3
81.14408	4.6
97.02928	71.9
119.25681	5.2
152.94392	4.7
169.84579	5.1
178.02467	7.0
261.11209	38.2
262.09152	8.9
262.11832	100.0
285.46951	6.1
294.10925	11.5
331.19058	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	Sphaeropsidin C
Peak:m/z	Relative Intensity
50.04375	33.9
50.69150	35.7
58.41770	36.8
59.01394	66.3
63.83623	43.0
64.35455	49.9
85.85426	38.7
87.55450	42.9
108.87981	40.6
158.40028	41.4
216.05894	45.2
233.15315	44.8
243.41949	42.3
269.19156	100.0
287.20248	63.0
328.24252	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	1.6
59.01399	4.6
71.31596	1.4
76.57761	1.2
81.40480	1.3
87.00869	13.7
94.44238	1.2
102.98589	3.2
106.66340	1.2
110.12309	1.4
116.17839	1.3
120.99651	47.6
127.07655	1.7
135.11844	2.1
140.94347	1.2
145.10127	1.2
147.11778	9.6
164.81178	1.2
171.04509	1.5
174.03300	1.7
183.04575	1.8
190.04883	1.5
199.04004	2.9
199.24727	1.3
209.11859	34.0
227.03545	5.6
243.02940	3.3
243.10609	29.0
268.95819	1.4
272.03159	1.4
331.12256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03450	1.3
57.59974	0.2
58.00606	0.2
59.01384	100.0
61.42998	0.2
68.15340	0.2
71.01380	10.4
72.99311	0.3
73.02937	3.7
76.56845	0.2
81.74593	0.3
83.01386	1.7
85.02954	6.3
86.00064	0.2
87.00874	0.5
94.69402	0.2
95.01412	0.5
99.00864	0.6
101.02435	5.9
110.75787	0.3
113.02451	3.3
127.11275	0.5
159.03050	0.3
161.04547	2.2
289.16574	3.3
346.89810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88915	1.8
55.01878	2.6
59.01381	59.8
67.01893	4.3
69.03465	9.9
69.77237	2.0
71.01385	15.0
73.02939	24.1
77.15258	2.4
81.03461	3.1
83.01390	13.1
93.03456	4.3
94.14882	2.3
95.01383	100.0
97.02929	20.2
99.00884	19.8
101.02444	15.0
107.81570	2.1
113.02445	18.6
119.03455	3.0
119.05038	20.3
130.04202	2.2
133.06558	3.8
136.68637	2.7
137.02428	5.3
139.95720	2.5
144.38098	2.3
145.02943	9.3
145.06584	20.7
154.19019	2.6
157.05038	4.0
161.06111	5.2
163.07675	24.3
173.06055	14.6
186.56403	2.3
191.07170	45.4
235.06161	32.4
266.05948	2.4
282.84598	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	331.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63684	0.7
50.90572	0.8
51.67977	0.8
52.08025	0.8
57.94118	0.8
59.01386	8.3
59.70188	0.9
74.99119	1.2
75.56626	0.8
85.01190	1.2
87.00882	2.4
89.15798	0.9
93.65101	0.9
102.98557	1.2
104.46176	0.9
109.89727	0.9
115.02221	4.5
120.99641	24.9
123.04489	1.7
127.07636	6.1
131.05325	1.0
133.10231	1.8
135.11810	23.9
145.89352	0.9
147.11824	3.6
147.15390	1.1
165.12866	1.1
179.10748	1.8
191.10788	1.7
199.11633	3.8
209.11832	24.5
225.09540	1.8
243.10631	19.7
323.87064	1.0
331.12262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.0
65.90867	0.6
67.07399	0.6
71.01402	2.8
91.05537	0.7
98.99105	1.0
109.01259	0.7
109.06609	1.5
120.99644	100.0
123.02779	1.4
125.04298	23.5
125.05166	1.2
130.53401	0.7
135.04520	1.4
153.01936	0.8
155.05371	8.5
167.01759	1.1
169.03296	4.7
181.05069	2.5
183.06648	5.1
193.55693	0.6
199.04362	38.5
199.06236	1.3
209.04527	0.9
227.05663	1.4
243.03366	1.4
287.05951	8.5
331.04956	7.8
340.77194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.55489	0.7
57.03448	26.2
59.01382	20.5
64.02537	1.0
65.00333	6.6
71.01389	6.4
81.03461	5.7
83.01383	25.4
87.00881	2.4
89.02441	2.3
94.87401	0.9
96.96023	1.5
97.02938	1.7
99.04515	15.4
101.02458	7.2
105.14907	0.9
107.01391	18.4
108.02181	4.6
112.53143	1.1
123.00908	1.9
124.01657	2.5
125.02442	90.4
131.01392	1.9
133.05077	27.8
137.02499	1.3
139.03983	1.3
151.00380	95.4
151.06094	10.9
160.63155	1.0
161.04573	4.6
164.08171	1.1
167.03511	4.2
168.00629	5.5
169.01436	47.3
175.00356	8.9
193.01398	5.1
193.07214	1.7
211.02522	1.9
258.10672	1.2
295.10361	17.6
331.06754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08668	2.3
59.01381	5.1
70.69407	2.4
75.15748	2.0
95.01385	11.1
98.23811	2.5
99.00871	2.7
111.00903	17.3
119.04971	3.1
127.00435	4.0
131.01375	3.4
132.02184	3.2
133.02971	3.4
139.00386	4.7
141.01952	3.4
143.04994	12.2
145.02960	6.0
146.03749	4.9
147.00871	5.1
147.04434	4.3
149.02406	2.4
155.05101	3.3
157.02966	9.0
158.03706	4.9
159.04527	10.4
161.02434	10.4
163.04039	15.2
169.02927	3.2
170.03683	4.9
171.04518	49.1
172.01572	3.4
172.78719	2.5
173.02429	23.6
174.03249	40.4
175.04021	25.7
182.03763	3.7
183.04512	58.8
183.43221	3.1
185.02417	5.6
187.04036	22.0
189.01952	2.7
197.02396	4.5
198.03183	15.7
199.04042	63.3
199.05765	4.8
200.04799	17.1
201.01935	33.2
201.05704	2.7
202.02779	3.2
203.03500	5.2
205.05057	4.9
211.04097	17.2
214.02864	8.3
215.03429	23.5
216.00623	10.7
216.04228	3.4
217.05057	10.9
217.15361	2.5
226.02750	23.0
227.03532	100.0
228.04256	13.5
229.01405	13.8
230.02127	3.8
231.03003	10.1
240.00661	4.2
241.05042	11.6
242.02219	13.9
243.00677	4.8
243.02982	81.5
244.03851	19.2
245.04582	17.6
253.01494	10.7
255.03094	45.8
259.06155	10.4
261.04080	5.3
271.02521	46.6
272.03323	36.2
285.04050	10.4
287.05557	9.4
299.01993	15.1
303.05151	3.0
313.03528	15.5
316.49048	2.9
331.04630	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	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.61848	0.4
57.03461	0.8
58.13612	0.4
59.01377	3.7
59.49415	0.4
69.03471	0.6
71.05020	0.7
77.30970	0.4
83.04991	0.4
86.65704	0.4
95.64812	0.4
97.06652	0.6
99.08151	9.0
125.09718	1.7
127.11285	8.0
129.09216	0.5
139.11299	15.3
143.14273	0.5
155.10733	0.8
155.14478	0.7
157.12291	1.0
167.14371	0.7
171.10277	29.2
182.28693	0.5
182.98669	0.4
183.13950	4.8
193.12318	2.1
209.11865	1.7
211.13428	25.3
229.14458	14.2
229.39795	0.5
264.61682	0.5
293.21240	0.7
306.11017	0.5
311.22458	0.9
329.23383	100.0
330.23639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
63.96261	0.4
77.42634	0.4
93.03477	1.0
119.05029	0.5
120.99652	100.0
135.04512	0.6
163.11259	2.6
171.10274	0.5
207.10280	2.0
268.58771	0.6
283.59399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01390	2.4
66.73917	0.3
67.45058	0.3
67.49512	0.4
68.33286	0.4
82.44809	0.4
88.02007	0.5
93.03416	0.4
120.99656	100.0
125.02480	0.7
163.74619	0.5
191.14574	0.5
193.29466	0.4
199.65071	0.4
207.10193	0.5
235.48772	0.4
236.11589	0.4
270.91220	0.5
317.11334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
55.24614	0.6
56.52364	0.5
59.01386	12.4
71.01386	3.0
78.57153	0.5
81.03470	0.7
85.02930	0.8
89.02461	1.4
91.83581	0.5
101.02470	0.9
108.02174	6.8
109.02953	100.0
111.18130	0.7
123.04471	1.2
152.01172	12.3
153.01945	87.4
167.03506	5.7
209.04575	1.5
226.46632	0.7
282.90649	0.6
329.08844	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	329.0883
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
52.21841	0.6
53.20464	0.8
55.30801	0.6
59.01385	1.4
63.50999	0.7
67.64919	0.8
85.02969	0.9
108.02180	100.0
109.02962	4.7
112.23466	0.8
123.03626	1.4
123.04529	39.3
135.04572	0.9
152.01167	56.1
153.01956	7.7
160.41563	0.8
167.03503	92.4
329.08783	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	329.088
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01379	1.3
69.03467	1.1
77.68672	0.6
80.02671	0.7
81.03463	11.9
83.01397	6.3
85.02973	0.6
88.36987	0.6
88.51471	0.6
93.03468	2.8
95.01393	1.0
95.05022	20.7
97.02944	4.5
99.04518	4.6
106.51331	0.7
108.02186	3.4
108.89494	0.6
109.02967	3.2
111.04567	0.7
121.02931	2.7
122.03728	3.0
123.04514	24.3
125.02448	21.9
131.07140	1.4
135.04507	1.1
137.02449	4.2
137.06079	25.1
139.04024	3.8
141.05624	1.2
149.06067	0.8
151.04039	1.2
152.01157	2.6
155.03430	0.8
165.05557	4.9
167.03494	57.9
179.03490	10.4
181.05089	5.2
193.05078	4.5
197.04579	3.4
206.02228	2.5
209.04575	100.0
210.04883	1.2
221.04533	4.4
239.05634	22.2
264.67065	0.6
311.07611	0.7
329.08786	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	329.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91760	0.4
59.01383	3.2
61.13973	0.4
71.01370	0.8
73.02966	0.5
81.29238	0.5
85.06587	25.7
85.11880	0.4
87.00872	0.6
97.97631	0.6
104.07083	0.4
108.02141	0.6
109.02987	2.6
113.06096	0.6
121.02945	1.1
123.04515	2.1
131.07135	100.0
135.04565	0.8
152.01108	0.8
167.03488	3.5
167.07101	4.6
168.19035	0.6
191.05626	1.2
197.02618	0.6
197.04483	0.8
293.12537	0.8
306.51590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97212	0.4
54.28713	0.4
54.28971	0.4
57.03164	1.2
57.03451	34.7
58.35882	0.4
59.01380	24.9
60.84971	0.5
61.98830	100.0
71.01374	0.7
72.99331	0.5
85.02969	1.3
89.02439	0.8
96.96019	0.8
99.04513	34.9
101.02435	7.7
108.02174	2.1
112.06705	0.5
116.46828	0.6
121.02988	1.2
121.05058	2.8
122.03738	1.1
123.04471	0.8
125.02438	6.8
135.04549	1.3
140.06775	0.5
143.03479	0.9
151.30832	0.5
152.01202	0.7
161.04562	0.6
163.06119	3.1
167.03537	1.1
203.09277	2.3
224.58992	0.5
261.10483	0.6
265.09299	27.1
292.07437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95192	0.6
59.01382	67.8
61.98819	0.5
64.20819	0.5
89.53443	0.6
92.10779	1.0
97.60014	0.6
100.72091	0.6
106.71290	0.6
112.35009	0.6
115.02510	3.1
117.00440	9.8
143.02005	2.2
157.03584	1.0
159.01500	100.0
168.99969	0.6
170.97870	4.9
186.88451	0.8
187.00993	92.3
201.02539	13.4
228.83633	0.6
274.99402	1.3
329.02200	4.2
350.92648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15910	0.3
59.01388	1.7
67.66273	0.3
72.25874	0.3
84.22198	0.3
92.10030	0.6
95.01411	0.4
98.48064	0.4
110.00093	0.6
112.08942	0.4
116.00217	0.5
119.01414	0.8
121.90120	0.4
123.00912	0.6
139.00378	1.8
147.00896	32.0
148.01733	0.7
149.99620	2.7
153.01921	0.9
160.01691	2.9
161.02441	2.1
175.00371	100.0
176.01065	2.5
190.02731	20.2
199.04042	0.5
211.13437	2.4
227.03531	2.5
255.02975	2.6
271.02524	1.3
292.04172	0.4
296.60968	0.5
299.02103	0.7
314.04474	1.9
329.06732	3.3
329.10245	0.4
329.23331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23996	0.8
51.92471	0.7
57.03476	0.8
59.01385	3.3
61.42218	0.7
64.29846	0.8
81.03456	11.4
82.41772	0.9
83.01382	8.4
84.57778	0.8
85.06583	10.7
93.03404	0.9
95.05018	23.7
97.02957	5.7
99.04508	6.4
103.23083	1.0
109.02977	4.2
112.24377	0.9
113.02470	0.8
114.37815	0.9
114.91025	0.9
121.02874	1.3
122.03748	1.6
123.03633	1.0
123.04520	29.1
125.02438	24.1
131.07132	48.5
133.97710	0.9
137.02446	4.9
137.06079	27.9
139.03996	3.4
142.34294	0.9
145.25534	0.8
148.93599	0.8
151.04054	1.0
155.03433	1.5
165.01892	1.4
165.05551	4.1
167.03502	67.7
179.03531	10.6
181.05035	5.5
193.05058	4.3
195.06476	1.0
197.04509	3.7
209.04576	100.0
221.04492	4.2
239.05637	24.0
283.19003	1.0
311.07858	1.3
329.08865	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.64588	0.5
55.01876	0.6
57.03449	3.8
58.75267	0.5
69.03459	3.4
80.38897	0.5
81.04990	0.6
82.20798	0.6
85.02950	13.2
97.02962	2.6
97.06570	5.2
101.18631	0.6
112.67467	0.6
119.08689	1.0
125.09697	1.4
127.11285	3.1
137.09727	3.7
144.87752	0.8
147.20847	0.7
155.10721	0.8
165.12866	1.2
167.14455	0.9
171.10275	36.6
177.12793	0.8
183.13878	3.8
185.11800	1.3
193.12325	0.9
197.05350	0.7
197.11758	1.1
201.11417	1.4
209.11874	1.1
211.13425	23.7
221.11847	3.1
229.14478	11.6
239.12953	1.2
270.96008	0.7
291.19684	3.5
309.20529	0.9
327.21805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.4
69.08718	13.5
74.25608	15.8
83.28438	15.8
83.32850	18.8
83.62458	16.9
86.67936	16.0
100.09861	18.0
125.09687	29.2
130.93555	16.9
165.12802	19.6
167.10793	27.9
197.34819	17.5
206.07126	20.5
209.11917	100.0
247.20609	24.6
249.68584	17.6
268.74557	19.7
291.19742	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01385	20.4
61.98843	8.1
65.17784	8.5
66.12035	8.0
68.52367	8.2
83.97298	9.8
91.07651	9.7
99.54755	11.1
104.73133	9.5
115.07664	85.1
125.09751	12.3
129.09200	13.0
153.12878	52.7
173.51306	11.2
181.57324	9.3
189.26364	9.2
196.34705	10.8
197.11900	51.1
199.13475	76.6
215.12895	68.1
227.12910	100.0
228.01433	9.8
229.14500	98.5
263.69214	11.7
282.11407	9.4
291.19778	11.5
309.20810	58.0
327.21857	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.24686	0.4
55.01883	0.6
56.45722	0.4
57.03463	2.0
59.01381	32.9
64.86306	0.4
71.01379	4.0
72.99339	2.2
75.00867	29.3
83.01421	0.8
85.02967	2.3
87.00887	1.2
89.02464	2.4
93.03461	8.6
99.00864	0.6
101.02446	2.0
113.02445	0.5
119.03513	0.9
121.06591	10.1
122.68422	0.5
129.01952	1.2
133.02971	3.3
134.03722	2.7
135.04524	15.3
144.77335	0.5
145.60988	0.6
147.03009	6.7
147.04536	14.8
161.02409	0.6
161.04643	0.6
165.04047	66.3
165.05562	100.0
179.03554	6.2
327.07294	1.1
327.10858	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.58796	1.4
52.88960	1.0
53.52326	1.2
53.83297	1.1
54.19429	1.1
56.62118	1.2
56.90417	1.5
59.01384	1.9
64.34910	1.6
69.03447	2.3
71.05019	1.4
73.02950	7.5
73.64657	1.5
84.71745	1.4
92.10157	1.8
99.08168	6.6
113.09757	2.1
115.07651	6.1
127.07648	9.2
129.09218	60.1
141.03162	1.5
141.09206	20.3
141.12909	2.2
146.34447	1.6
155.10797	19.7
165.12843	1.9
171.10269	20.2
185.11835	75.0
197.11856	72.3
205.21840	1.5
209.11914	10.2
247.20595	2.7
290.53497	1.4
291.19797	19.6
309.20734	48.8
324.27490	1.4
327.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.7
58.22583	0.5
59.01390	26.0
65.19116	0.5
71.01418	2.4
72.99333	3.1
73.02966	0.7
75.00877	43.8
85.02975	1.4
85.79990	0.5
86.63084	0.6
87.00890	2.7
89.02452	3.1
93.03458	6.1
101.02459	1.3
111.00908	0.6
117.03439	0.7
119.05046	1.0
121.06574	10.0
129.01973	3.8
133.02943	4.4
134.03755	2.7
135.04523	28.7
147.03000	8.0
147.04608	0.8
150.11136	0.6
161.02449	1.0
165.04063	100.0
165.05586	84.9
179.03520	9.9
327.07236	1.3
327.10825	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	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.18579	0.9
57.03429	0.9
59.01384	54.1
62.11602	1.0
65.85503	0.9
66.89597	0.9
68.89309	0.8
71.01388	21.9
72.99329	4.1
75.34442	0.8
75.43278	0.9
76.68993	0.9
82.27316	0.8
82.80069	0.8
85.02973	5.5
89.02448	14.9
94.93900	1.1
95.01441	1.3
101.02432	11.8
113.02451	5.9
119.03519	6.0
119.04970	8.1
147.04529	100.0
150.09113	1.0
152.02072	0.8
158.81569	1.0
165.04285	1.4
165.05557	15.9
165.69461	0.9
231.44547	0.9
232.80894	1.0
327.10895	53.2
342.47406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
59.35320	0.4
61.98834	100.0
78.70509	0.4
92.10172	0.8
119.05050	0.4
133.02902	0.6
134.03697	0.8
134.04672	0.5
135.04041	1.5
169.41348	0.4
194.05406	0.5
230.12396	0.4
282.05276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03410	0.3
59.01385	5.3
60.01720	0.7
60.15105	0.3
61.01810	0.6
61.98832	100.0
64.33559	0.3
82.63321	0.3
92.10123	0.9
105.11475	0.3
118.03783	0.4
134.03796	1.3
134.04721	23.9
135.04088	0.7
150.23415	0.3
165.03999	0.5
194.05444	1.3
266.09006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.75768	0.5
59.01361	0.7
64.34499	0.5
69.56664	0.5
71.92626	0.7
73.62745	0.5
74.62730	0.5
89.18993	0.6
89.59373	0.5
134.03680	0.5
138.56577	0.8
149.09727	90.0
163.11288	100.0
164.11641	0.7
183.01213	3.8
325.18491	5.8
325.21759	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71227	14.5
57.03454	27.2
57.87652	17.1
59.01396	46.2
64.41280	18.7
69.03491	16.7
83.01402	32.3
90.31162	24.1
97.02960	23.2
97.06609	37.6
123.04555	35.1
125.09740	100.0
134.03784	34.8
137.09727	29.1
163.11296	25.1
167.10837	85.0
185.11960	21.8
193.05119	26.1
207.10208	23.7
209.11816	87.4
245.19189	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43539	1.4
59.01385	14.2
69.03480	2.7
75.40835	1.7
91.42853	1.8
97.06577	4.1
111.08172	3.2
123.04475	1.8
123.08136	2.7
125.09718	14.2
127.11248	3.6
134.03743	13.6
135.08165	8.3
151.07709	2.0
153.09221	4.5
163.11237	2.2
167.16850	1.8
171.10272	100.0
180.54626	2.0
193.05042	6.7
209.11832	2.8
237.15056	3.0
245.19080	3.6
270.82227	1.9
287.48901	2.4
289.18210	15.1
307.19141	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	325.2023
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03456	0.9
59.01394	1.4
60.33445	0.5
64.25897	0.5
64.62090	0.6
73.02987	0.8
80.02674	1.1
81.03468	1.6
83.05025	8.9
84.02162	0.9
86.19166	0.7
95.05008	0.8
97.06587	2.5
99.08143	0.9
109.06595	0.9
112.05257	0.7
115.07653	10.2
125.06084	0.7
125.09712	1.2
126.76520	0.6
127.07635	0.7
127.11287	1.5
129.09317	1.0
134.03761	1.3
135.08171	1.2
137.09758	3.0
155.10773	9.0
163.11249	7.5
165.12898	3.9
178.10030	6.3
181.12367	0.8
191.10687	1.3
193.05125	1.2
207.10327	4.0
209.11859	100.0
210.12292	0.7
225.11331	0.8
229.02657	0.7
229.05124	0.8
236.10648	1.0
245.19157	1.3
263.20276	0.8
279.19608	0.8
289.18094	5.0
307.19199	87.8
323.40683	0.7
325.20255	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15672	0.8
53.20612	1.1
53.99958	0.8
57.03458	1.2
58.00603	14.4
59.01385	2.2
60.55906	0.9
61.51051	0.9
69.03471	1.2
71.01381	1.4
73.02950	1.3
84.02161	2.2
89.61907	1.1
92.10852	1.3
95.05042	5.2
97.06595	2.6
99.08140	1.5
107.05074	1.1
113.06087	5.1
115.07672	8.2
117.69018	1.0
117.77366	1.0
125.09732	4.2
127.07648	12.3
134.03743	2.6
141.09286	1.3
151.11313	16.1
153.09253	1.5
153.12869	24.3
155.14418	4.8
163.11296	1.3
165.12910	1.2
169.12367	4.2
171.13962	1.5
181.12341	4.5
183.13890	6.2
188.78737	0.9
190.66197	1.2
191.10872	1.2
193.04999	2.4
197.10161	2.1
197.11850	35.1
199.13425	48.3
199.15279	1.6
209.11826	6.3
211.13434	4.9
215.12898	32.7
227.12920	100.0
228.13301	1.8
229.14476	72.9
245.19095	6.4
256.13046	1.7
263.20123	4.9
269.21225	2.0
279.19641	1.3
281.21066	2.0
288.09686	1.1
289.18103	6.9
297.20728	8.4
301.36667	1.3
307.19165	23.7
325.20273	7.0
342.27966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48104	2.0
69.34490	2.1
70.87685	1.9
71.01379	16.3
72.02161	3.0
72.99829	2.3
83.05048	2.9
84.02168	9.7
85.02955	1.8
95.05063	2.7
97.06591	3.5
99.08158	3.6
115.07613	2.7
125.09720	5.2
127.07671	19.0
139.07616	3.2
153.09183	9.7
163.11259	5.1
171.10265	12.2
185.11848	27.3
197.11832	26.1
209.11874	94.0
213.78224	2.5
238.12192	4.9
260.24161	2.3
289.18097	14.4
307.19211	100.0
325.20261	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84353	2.0
55.50323	2.1
57.03473	2.1
58.00602	2.9
59.01390	18.1
60.86633	2.0
71.01396	3.9
74.33955	2.2
96.14729	2.3
97.02934	2.6
97.06633	2.7
109.06599	13.5
111.08169	37.8
123.08212	11.0
125.09708	4.3
127.11275	8.9
134.03726	19.3
135.08189	4.2
137.09682	3.1
139.11349	3.1
139.52702	2.5
153.09283	9.6
153.12880	3.9
155.10822	5.4
157.06770	3.8
167.10747	2.8
171.10266	43.2
182.18408	2.6
185.11804	22.1
193.05106	21.2
197.11891	27.7
201.11359	53.9
211.13379	3.8
213.11214	7.8
227.12987	3.1
237.15007	2.9
245.19127	11.0
249.26283	2.6
289.18240	22.0
307.19141	11.9
325.20248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86013	1.2
55.79606	1.2
58.99982	1.4
76.85548	1.3
119.94258	1.4
183.01204	55.7
184.02031	1.9
197.02769	2.0
216.00900	1.9
231.03490	1.5
325.18445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	12.3
58.35238	1.4
59.01382	2.5
68.90278	1.5
83.05042	1.7
95.05034	3.1
97.06607	3.7
113.06103	4.0
115.07622	2.6
127.07623	14.3
134.03722	1.9
137.02507	1.8
151.11313	13.0
153.12854	25.2
155.14417	3.2
163.11348	1.7
169.12387	2.3
181.12407	3.7
183.13992	8.4
197.11850	37.3
199.13435	44.0
209.11903	4.2
211.13335	2.7
215.12889	27.4
217.16031	1.9
220.14804	1.9
227.12929	100.0
229.14493	73.0
245.19081	2.7
263.20322	2.1
281.21240	2.1
289.18051	6.8
297.20676	7.1
307.19229	25.3
307.22543	2.3
325.20248	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	325.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46223	0.2
54.22342	0.2
59.01383	0.5
62.83764	0.2
68.88631	0.2
79.45763	0.3
79.95683	1.8
80.32745	0.3
86.84484	0.2
111.77803	0.2
119.05002	3.2
144.94882	0.2
170.00426	2.2
183.01213	74.5
184.01985	2.3
197.02789	2.6
216.01033	1.0
225.05956	1.2
239.07523	1.1
253.09119	0.3
261.22195	0.5
263.70651	0.2
272.16727	0.3
281.24911	1.0
325.18472	100.0
326.18890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11210	4.5
59.01395	22.8
61.98858	5.2
68.58248	4.8
75.30538	5.4
77.05183	5.1
92.10855	6.5
93.22112	5.3
116.35843	5.7
117.03490	21.5
134.03755	100.0
149.06165	7.2
172.09789	5.9
192.06111	6.6
193.05103	69.8
212.35773	5.9
284.93439	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	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01688	0.7
71.01395	4.2
73.02969	0.7
85.02962	2.7
87.00897	3.8
89.02473	1.0
101.02451	4.3
112.98811	5.5
113.02447	1.0
117.03475	6.3
119.03477	0.8
130.99931	0.8
133.02994	3.4
134.03743	66.9
149.06076	6.0
151.50032	0.8
161.04593	3.2
173.04434	0.8
178.02721	3.6
181.82419	0.7
182.82930	0.8
193.05066	42.9
206.02582	0.8
258.87091	0.8
265.12909	10.2
302.23672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
57.03456	0.6
59.01383	17.6
59.01656	0.9
67.14133	0.5
71.01390	7.2
73.02976	0.5
75.81315	0.5
83.01406	0.6
85.02959	2.4
89.02431	4.9
93.03468	0.6
95.01379	0.7
101.02441	2.1
113.02451	3.5
117.02635	1.0
117.03465	28.4
117.52229	0.5
119.03574	0.9
119.05018	26.1
131.04994	1.0
132.05811	0.8
133.06580	3.1
134.03731	2.2
145.02962	100.0
158.03796	1.1
159.04507	5.9
161.06123	5.5
163.04013	17.0
173.06148	0.8
177.05563	0.9
187.04018	28.7
191.07196	0.6
193.05035	1.1
205.05057	3.5
217.05028	0.9
229.05112	0.6
235.06068	1.2
265.07147	3.5
325.09332	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63340	0.2
59.01397	0.3
71.69823	0.2
93.03465	0.4
119.05020	100.0
120.05394	0.4
139.39606	0.2
145.02937	1.8
146.61960	0.2
163.04012	48.5
164.04346	0.4
193.05115	0.4
272.06421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
51.21428	0.4
57.03452	0.5
58.00606	0.6
59.01387	18.3
67.56275	0.6
68.49586	0.5
71.01382	7.9
72.99316	0.7
73.02946	0.5
85.02944	1.3
88.56522	0.5
89.02437	6.8
93.03470	1.0
95.01421	0.8
100.19584	0.5
100.62659	0.6
101.02453	3.6
109.02959	1.3
113.02457	3.6
117.02634	1.2
117.03458	30.3
119.03526	1.0
119.05018	30.4
119.22211	0.5
121.22837	0.5
123.04501	0.9
125.02415	0.7
130.04263	0.7
131.05029	1.2
132.05838	1.1
133.03003	0.8
133.06596	4.6
134.03758	6.8
135.04521	0.8
145.02953	100.0
146.03288	0.6
146.73875	0.5
158.03694	1.0
159.04471	6.8
161.06064	5.8
163.02708	0.8
163.03990	16.2
173.06070	0.8
177.05611	0.8
187.04001	25.8
193.05064	3.0
203.07161	0.8
205.05089	3.6
210.18919	0.5
213.83545	0.6
217.05092	1.1
235.06171	2.4
245.08237	0.7
265.07138	3.1
289.07266	4.7
307.07977	0.7
309.24136	0.6
325.09222	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21437	0.8
59.01392	11.9
71.38956	0.7
87.00867	7.5
89.04002	1.3
103.00354	1.9
105.03458	1.0
109.02974	1.4
112.98834	5.3
117.03475	8.9
117.05569	4.4
133.02943	5.0
134.03734	100.0
137.02463	1.7
149.00958	1.4
149.06078	7.2
151.04103	1.0
151.31203	0.8
161.42038	0.8
177.01953	1.3
178.02692	3.5
193.05072	67.5
215.04248	0.8
311.11227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62465	0.7
59.01384	13.9
59.02171	0.6
61.04136	0.7
66.80448	0.7
71.01405	1.0
72.99312	0.8
73.10992	0.6
75.00872	0.9
78.95895	0.9
79.83475	0.7
83.01407	1.4
87.00879	7.6
89.03985	2.9
89.14606	0.7
101.02467	0.7
103.00372	1.7
104.63687	0.7
109.02996	1.6
112.98796	5.2
117.03449	12.1
119.05027	18.9
125.02443	1.4
133.02934	1.8
134.03748	100.0
135.04532	3.5
137.02428	2.9
149.00929	4.0
149.06094	5.6
151.00381	3.9
152.91750	7.1
153.01941	23.1
153.03133	1.3
158.16768	0.7
161.04617	1.0
163.02705	0.9
163.03970	5.3
170.84099	0.7
178.02731	4.7
179.03496	2.9
193.05086	68.3
194.92743	1.5
202.44832	0.7
253.05037	1.5
264.97040	0.9
289.07166	11.4
325.05856	0.9
338.82928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43688	0.3
59.01389	2.2
70.55198	0.3
71.01385	0.8
83.05405	0.3
89.02474	0.7
93.03461	0.7
117.03461	5.3
119.05023	100.0
120.05346	0.6
129.39897	0.4
133.02939	2.4
133.06612	0.6
134.03723	1.6
145.02971	15.1
159.04445	0.5
161.05960	0.4
163.04019	50.0
170.73369	0.3
177.09935	0.4
187.03989	4.8
192.56052	0.3
193.05061	0.7
205.04948	0.4
208.58766	0.4
210.19064	0.4
214.46844	0.4
217.95387	0.4
218.34213	0.3
222.51541	0.4
265.07239	0.6
316.38129	0.4
325.09491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	TOFA
Peak:m/z	Relative Intensity
52.77896	0.5
57.03440	0.6
59.01390	3.7
70.46665	0.6
75.43211	0.6
92.10229	1.3
95.05025	1.0
97.02941	0.8
123.08256	0.7
125.09754	5.7
127.07621	0.8
143.68195	0.7
150.39684	0.6
163.11319	4.9
165.09222	1.6
166.03085	0.7
177.12869	1.3
181.12376	1.3
197.11853	6.1
221.11810	3.2
230.91092	0.7
239.12912	4.1
247.20624	1.2
291.19815	10.0
305.21286	5.1
307.19333	1.1
308.19974	9.2
323.16544	2.6
323.22333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49994	0.8
54.82649	1.0
55.01890	2.1
57.03453	12.5
57.76683	0.7
59.01382	23.8
69.03494	0.8
71.01376	11.9
72.99319	4.5
73.02964	8.0
75.00867	14.0
83.01377	1.3
85.02930	9.0
87.00860	9.0
89.02438	6.8
91.96560	0.8
95.01418	1.0
99.00886	6.3
101.02441	86.6
112.98817	1.2
113.02451	3.7
114.34881	0.9
115.00352	3.8
117.03420	2.0
119.03520	1.6
126.64819	0.9
127.19448	0.9
129.01939	6.4
130.08752	8.0
131.03542	1.6
131.09068	3.7
133.01433	3.7
133.05156	1.1
134.03745	32.4
135.04529	1.0
145.01436	100.0
145.05087	1.4
147.02995	1.9
149.02477	1.0
149.06105	1.4
159.03014	1.3
181.42937	0.8
193.05092	25.4
199.38251	0.9
205.83600	0.9
246.90297	0.9
279.10770	1.2
325.11343	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	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.5
76.57702	1.6
107.05032	1.4
136.91609	1.4
145.07774	1.2
163.11301	2.2
165.12801	12.1
181.12471	1.8
183.01157	1.7
187.74245	1.2
191.14366	1.3
198.95415	1.2
215.03828	1.2
217.15895	1.4
237.15028	2.3
247.20663	2.4
273.18567	2.7
291.19714	100.0
308.19962	5.0
323.16708	7.5
323.22336	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82755	1.5
57.03466	2.8
59.01391	8.5
72.27512	1.4
92.10854	3.0
109.06641	1.9
125.09715	3.1
153.12875	12.2
166.96980	2.0
179.14394	6.0
181.12332	22.0
197.11870	2.9
207.13951	14.0
239.12875	2.8
247.20680	2.3
263.20187	2.2
266.29111	1.9
273.18677	3.6
291.19693	60.7
305.21353	6.6
308.19901	3.3
319.62906	1.6
323.16806	11.3
323.22324	100.0
341.26855	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96617	4.2
57.03462	8.7
59.01374	11.8
71.05027	46.8
81.03464	8.6
93.03420	5.4
95.05039	32.5
97.06603	9.2
106.04270	6.2
109.06573	35.9
119.05022	9.4
120.05804	10.7
121.02949	6.3
121.06590	7.5
123.04509	31.2
123.08188	7.9
125.09727	26.0
135.08176	100.0
137.09732	7.5
141.12846	8.4
147.04527	9.9
165.09195	7.0
185.11824	87.2
189.12898	10.1
205.15941	6.8
237.14830	5.6
243.17564	31.7
248.79053	5.2
249.15045	8.7
287.16476	44.8
305.17691	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	323.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16064	2.4
57.03492	2.8
59.01393	22.5
59.16555	2.3
66.91630	2.6
70.90142	2.8
81.03455	6.0
83.05039	5.9
91.05548	6.8
92.29501	2.4
95.05018	2.5
97.02966	6.5
97.06593	100.0
97.07207	4.8
106.04272	4.0
109.06596	87.6
110.03789	3.5
114.03675	2.8
117.07093	6.2
119.05015	6.4
121.06581	5.8
123.08153	11.0
125.09734	52.6
135.08188	46.2
136.05249	3.7
142.02756	3.8
161.06046	27.4
163.11244	26.1
181.10959	3.0
181.12392	13.3
185.11772	3.3
207.10298	91.2
209.11795	2.9
225.11360	51.9
261.14902	5.3
269.15524	2.8
277.18140	5.8
279.16049	39.7
287.16583	28.0
300.47488	2.7
303.45273	4.1
305.17596	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94855	1.1
76.33681	1.2
77.68670	1.2
79.38296	1.2
80.02693	1.4
80.85643	1.2
83.05038	8.8
89.59670	1.3
93.03471	1.6
97.02979	1.8
97.06595	5.4
107.05035	12.8
109.06601	5.5
120.55002	1.3
125.02446	2.1
125.06097	3.1
125.09726	8.9
131.66158	1.3
135.08160	9.1
141.52670	1.3
150.20088	1.3
153.09198	12.5
163.11264	7.1
165.12888	5.9
176.08424	2.1
178.10023	1.9
185.11786	2.7
188.85162	1.3
190.74084	1.4
191.10837	1.9
197.11789	10.6
198.68851	1.2
207.10316	9.9
209.11862	100.0
222.17639	1.2
225.11247	5.9
236.10649	2.3
253.10782	1.7
254.11594	2.6
261.18561	2.4
277.18292	1.3
279.19315	1.4
287.16592	5.9
305.17621	74.9
305.21133	2.8
314.75626	1.3
323.18716	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.5
59.01372	32.5
71.01386	3.6
74.96327	3.5
93.03495	5.1
107.05030	6.9
109.06560	6.3
113.43941	3.7
121.06584	4.8
123.08093	5.4
125.09721	5.5
133.06599	15.2
135.04541	5.8
151.07654	62.1
153.09213	9.3
171.10289	100.0
209.11655	4.9
233.95543	3.8
240.11281	4.0
241.60085	3.6
243.17509	17.4
259.16986	4.5
261.18686	6.7
274.38034	4.1
287.16586	17.7
305.17737	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17183	3.6
52.95609	3.4
59.01141	3.8
59.01385	40.8
69.03461	11.7
71.05006	6.7
94.48915	4.6
97.02952	20.3
108.78381	4.6
110.03714	7.5
136.05302	11.2
139.77280	4.6
149.06036	5.3
161.09698	7.9
177.09256	6.2
179.10768	65.8
197.11865	100.0
223.09790	60.3
241.10797	55.2
289.62115	5.1
305.21161	46.5
323.17105	28.7
323.22174	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01403	3.0
80.11906	0.5
85.02979	0.8
89.02473	0.6
92.10744	1.0
95.81849	0.5
101.02460	2.0
101.06075	55.3
113.02474	2.5
113.58856	0.5
115.07660	0.9
156.28586	0.6
157.76823	0.5
161.04585	1.3
161.44965	0.6
175.10777	0.5
263.11481	2.8
348.02582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.92027	0.1
60.20897	0.1
71.01379	1.3
73.02933	0.4
78.95908	0.4
83.01384	0.4
85.02964	1.2
92.10052	0.3
101.02438	1.6
112.86916	0.2
113.02448	0.4
125.76969	0.2
158.20325	0.2
161.04553	0.4
164.46469	0.2
189.20660	0.2
191.82413	0.2
247.09732	0.3
263.15042	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73930	1.0
59.01385	100.0
63.88112	0.8
71.01380	1.6
72.98684	1.0
92.10133	2.3
99.45403	1.1
101.06078	64.9
108.18172	1.0
110.49178	1.0
111.04327	1.0
113.02457	1.4
122.36766	1.1
130.96042	1.1
209.70055	1.2
243.63336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63478	0.7
52.57236	0.6
55.83329	0.8
59.01388	55.2
68.82057	0.7
71.01374	7.9
72.99340	2.8
86.13449	0.8
89.02447	5.8
92.10078	1.4
95.95592	0.7
101.02453	3.9
101.06123	3.0
117.03426	1.4
119.05010	1.6
133.02940	1.5
140.12952	0.7
145.02974	9.7
146.04846	1.3
159.05595	0.8
160.06435	24.2
161.02429	1.3
161.07205	94.4
162.54796	1.0
163.03957	1.4
167.51280	0.7
175.08760	60.5
179.03528	0.9
187.08789	1.0
189.06699	100.0
190.07051	0.9
203.08284	36.3
229.10027	1.3
244.84161	0.7
284.93600	0.9
305.11572	1.0
311.54474	0.8
323.12524	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0773
Annotation	Skimmin
Peak:m/z	Relative Intensity
56.64502	0.2
57.51769	0.3
59.01387	1.9
73.28048	0.3
85.02947	10.9
89.03955	3.8
90.93791	0.3
102.12710	0.3
106.04277	0.4
106.33316	0.3
111.00893	0.4
113.77370	0.3
115.03998	0.4
117.03455	11.2
119.05009	2.3
129.01930	0.7
133.02847	0.3
134.03737	100.0
137.02426	0.6
143.03542	0.7
145.02966	1.6
149.06079	6.9
161.04552	0.4
163.03955	0.7
178.02704	3.4
193.05064	64.4
194.05354	0.4
219.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35777	0.5
55.01888	0.8
57.03464	2.6
59.01382	37.1
59.60654	0.5
63.32665	0.5
67.33614	0.5
67.75927	0.4
68.99848	1.2
69.94910	0.4
71.01376	11.7
71.01727	0.6
71.14746	0.4
71.79044	0.5
72.94627	0.5
72.99310	0.6
73.02944	62.5
85.02966	5.6
87.00880	1.3
89.02451	3.6
96.96003	0.9
99.00872	17.4
99.04523	1.2
101.02438	4.2
101.06094	0.5
111.00891	0.8
113.02453	4.3
115.00404	2.1
116.92895	0.7
117.01937	100.0
119.03506	2.2
121.43763	0.6
125.02460	0.9
129.01974	3.0
131.07117	1.3
142.99847	0.8
143.03510	1.0
161.00952	5.4
161.04584	2.5
161.08205	1.2
263.11386	4.6
295.70395	0.6
323.13397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75706	0.5
59.01386	100.0
61.37476	0.3
103.03978	0.8
142.43222	0.4
192.79083	0.5
321.20764	46.7
322.21082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09651	1.0
58.10876	1.2
59.01394	14.8
61.67681	1.1
68.01557	1.3
68.27747	1.0
72.35652	1.2
83.05029	1.8
92.10780	1.4
95.01417	2.1
97.06605	1.6
109.06594	1.5
120.04578	1.8
121.06525	1.2
141.01588	1.9
150.10561	1.8
161.09717	2.0
163.11281	31.3
165.12843	2.8
173.09729	2.5
189.12854	1.5
191.14433	46.0
193.12389	1.4
205.12315	2.5
217.16026	5.6
228.26544	1.2
245.19102	34.1
271.17044	7.7
287.16568	2.1
289.18121	100.0
321.20779	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01386	2.9
73.02951	0.7
85.02966	0.6
89.96304	0.5
101.02436	1.1
125.02399	0.9
136.38664	0.5
161.04526	0.5
207.41982	0.5
261.13382	2.8
321.15506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18970	0.2
52.49967	0.2
54.54935	0.2
55.06038	0.2
55.60986	0.2
55.69379	0.2
58.13056	0.2
59.01384	100.0
71.01371	2.6
74.34602	0.2
81.91146	0.3
89.02428	3.2
101.02444	0.6
113.02441	1.1
119.03493	0.6
129.01791	0.3
161.04535	0.3
168.62291	0.3
172.75264	0.3
179.05547	0.3
211.88965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1709
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.50922	3.3
54.34494	2.9
59.01378	28.7
59.57652	3.1
63.41316	2.8
65.55853	3.1
66.68843	3.1
90.09769	3.3
98.42376	3.2
113.18110	3.1
119.89191	3.0
121.02969	7.2
122.03758	22.9
123.08141	7.7
125.09732	8.2
133.06607	4.9
135.04553	7.8
135.67191	3.5
136.05316	28.2
149.06096	16.4
150.06812	6.2
151.07632	52.1
174.06786	4.5
177.05582	94.1
185.11836	20.3
195.99352	3.8
207.10278	17.3
209.11850	6.1
259.17001	5.6
277.18219	12.7
285.15042	14.9
303.16022	56.7
321.17053	100.0
341.70651	4.0
342.17639	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.25112	1.4
71.01384	50.1
72.99317	3.3
78.84559	1.4
82.08224	1.5
85.02952	13.0
89.02443	47.9
91.64118	1.5
93.63596	1.7
95.01391	3.5
101.02437	18.0
113.02452	15.2
119.03506	20.5
120.99639	2.5
141.09215	36.9
143.03545	1.8
179.05652	6.0
220.75127	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81975	1.2
55.01897	1.7
58.00619	1.3
59.01385	100.0
67.71193	1.4
71.01374	39.8
72.99310	3.8
73.02924	1.5
74.04246	1.6
83.01392	2.4
83.95236	1.6
85.02947	11.9
85.85349	1.4
87.00932	2.0
89.02437	44.5
89.02938	2.7
92.10136	7.1
95.01394	3.2
101.02462	21.7
103.95446	1.4
105.25571	1.3
113.02440	15.1
114.05625	2.3
119.03543	11.6
132.06668	3.4
133.02930	2.0
141.09247	3.8
152.94420	1.6
159.02994	3.1
159.10371	2.0
189.09190	1.9
217.05417	1.8
230.41080	1.6
321.15601	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34852	0.3
59.01385	100.0
71.01403	0.8
85.02941	0.5
89.02453	0.6
92.10177	0.9
97.06583	2.8
99.04517	31.7
101.02453	0.9
109.49953	0.4
110.10382	0.4
113.02444	0.9
113.08189	0.5
114.94287	0.5
115.37373	0.5
122.32731	0.4
123.04499	0.5
129.41986	0.4
151.28929	0.4
152.15634	0.5
159.06671	3.4
161.04591	1.0
183.06755	0.6
261.09799	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	321.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11957	0.7
56.15579	0.7
59.01386	100.0
62.87955	0.7
75.36420	0.8
85.02932	0.8
94.65841	0.7
95.01379	0.9
95.04451	0.9
95.05044	1.9
97.06580	16.1
99.04512	24.2
102.43318	0.7
103.96928	0.7
113.02441	0.9
115.07653	3.3
159.06627	20.5
161.04553	0.8
181.17741	0.8
200.60773	0.9
232.13329	0.8
296.75238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.20307	0.7
68.89964	0.7
72.99777	0.7
80.15708	0.9
90.31606	0.9
140.04750	0.8
142.89561	0.7
166.24797	0.8
188.32375	0.8
215.93649	0.7
226.79117	0.8
238.27071	0.9
286.81769	0.8
290.75620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.8
60.09999	0.9
67.58566	1.2
74.02379	0.9
76.73175	1.1
82.19968	1.1
131.23970	1.0
133.49889	1.1
134.09773	59.8
161.08572	1.4
175.10010	1.7
180.50586	1.1
190.12393	100.0
232.17145	1.3
242.10815	1.2
276.16071	15.7
302.13956	2.2
320.14987	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	319.2279
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
54.01641	2.2
57.03463	4.8
59.01390	52.4
64.56133	2.0
65.34428	2.2
71.11912	2.5
101.10593	2.8
113.09730	20.0
121.10206	11.4
132.83519	2.6
142.33026	2.5
149.13359	3.8
175.14894	30.1
183.95102	2.2
189.91266	2.7
197.84265	2.6
203.18056	12.8
219.13922	58.0
257.22766	60.3
275.23862	4.6
301.21796	83.6
319.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	(plusmn)12-HETE
Peak:m/z	Relative Intensity
50.38987	3.9
52.64856	3.7
52.99859	3.8
56.77124	4.4
59.01386	61.2
68.19095	3.7
79.40277	5.0
105.97100	4.1
135.11786	6.6
139.11314	9.7
163.11240	6.3
179.10796	69.7
199.01120	4.8
203.17992	6.7
225.58563	4.6
257.22772	39.6
286.56506	4.8
301.21747	38.0
319.22772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.228
Annotation	(plusmn)11-HETE
Peak:m/z	Relative Intensity
51.12379	2.3
58.32073	2.5
59.01389	13.7
63.30231	2.6
65.79234	2.3
72.98028	2.9
100.18167	3.3
104.65630	3.0
115.49061	3.0
120.41632	3.1
126.62163	3.8
149.09698	5.4
167.10791	100.0
203.50914	2.7
239.30887	2.9
244.83459	3.0
257.34540	3.1
275.24002	3.1
319.22794	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1554
Annotation	beta-Zearalenol
Peak:m/z	Relative Intensity
54.44056	1.3
59.01383	2.6
74.12790	1.4
82.98915	1.5
108.02192	6.6
122.03749	13.2
124.82529	1.4
147.04538	19.6
148.05350	2.9
161.06134	2.6
172.05339	7.4
175.04025	38.6
176.04794	100.0
204.04347	1.7
204.81488	1.5
211.13373	5.6
217.12347	6.8
274.29486	1.5
283.13431	66.4
301.14502	70.6
319.15567	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	319.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82670	0.5
58.87881	0.5
59.01379	8.4
65.38570	0.6
71.01405	3.3
73.02939	5.2
75.00919	0.8
81.46326	0.6
95.22431	0.6
96.19028	0.5
101.02435	0.7
115.07647	100.0
129.09224	2.1
136.07729	0.8
139.07652	0.5
157.08690	0.9
169.08763	1.4
241.32378	0.6
242.10680	0.7
257.12869	5.3
269.99850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.01579	0.8
55.01892	1.0
57.03449	18.9
59.01383	95.9
71.01381	36.7
72.67110	1.0
72.99315	2.0
75.13604	1.1
76.18107	1.0
79.95750	1.2
83.01380	7.7
85.02973	8.4
85.71401	0.9
87.00910	1.1
89.02445	35.3
92.10172	2.4
93.03489	2.4
94.79234	1.0
95.01414	5.5
101.02450	23.9
108.55814	1.1
109.02960	4.2
113.02457	16.5
119.03476	12.7
120.02171	1.4
121.02943	7.5
125.02444	73.7
133.02925	2.3
135.04547	1.7
137.02440	7.5
139.07652	16.1
157.08711	2.3
158.03796	1.1
161.02444	19.9
162.03180	1.5
164.01160	18.6
165.01947	13.8
177.09201	1.4
179.07132	10.1
197.04541	1.9
245.35794	1.1
257.04782	1.1
287.05634	2.7
307.14258	1.2
319.05203	10.6
319.14011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
58.63974	0.4
59.01388	100.0
71.01384	3.4
73.02970	2.0
76.25196	0.4
85.02978	2.2
101.02457	4.5
113.02449	0.7
161.04562	3.0
182.45529	0.5
245.87686	0.5
259.08224	6.9
323.82983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.82629	1.2
55.01881	2.2
57.03452	2.2
58.00619	1.4
59.01381	100.0
69.03450	2.0
71.01378	48.3
71.05025	5.3
72.24933	0.9
72.45062	1.2
72.99308	1.9
73.02963	5.0
81.18292	1.0
82.62324	1.0
83.01386	5.4
85.02944	13.1
87.00903	1.1
89.02438	44.5
95.01373	2.2
99.00883	1.6
101.02435	29.2
108.28738	1.0
113.02453	17.1
119.03506	15.4
139.07666	1.9
143.03523	1.5
158.50002	1.2
161.04515	2.4
179.05576	1.8
275.15112	1.3
319.14011	56.2
324.58615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08439	0.4
57.18311	0.5
59.01385	100.0
62.55935	0.4
71.01393	3.4
73.02959	0.5
81.83048	0.4
83.01427	0.6
85.02953	2.3
101.02439	3.6
106.48987	0.5
109.89298	0.4
113.02406	0.9
159.02823	0.5
161.04547	2.3
166.56316	0.6
259.08231	4.4
283.37689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	2-Oxo-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
54.77784	2.0
57.03458	34.7
57.03719	2.5
58.72766	1.9
59.01392	26.1
71.57273	1.8
72.94150	1.7
97.06601	10.6
107.08731	2.7
113.09735	100.0
119.08652	2.2
121.10236	4.9
122.06393	2.1
133.86504	1.9
139.11298	39.0
147.11847	8.4
165.12877	19.8
175.14909	3.8
177.09068	2.6
191.14403	3.7
203.10794	2.4
219.13985	7.3
273.22308	38.5
299.20230	3.5
317.21240	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	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16180	0.4
56.04307	0.4
57.03453	20.5
59.01384	4.0
67.01863	0.4
69.03431	0.4
71.01381	1.1
71.69828	0.4
72.04260	0.4
74.17011	0.4
81.03453	1.0
83.01406	3.1
89.02431	0.7
93.03450	3.2
95.01379	1.2
97.02938	1.1
101.02464	0.6
108.02186	1.9
109.02917	3.5
114.21592	0.5
117.03451	0.7
120.02168	3.0
121.02943	7.4
123.04465	0.6
125.02438	100.0
127.52120	0.4
133.02959	4.6
137.02454	7.4
139.00362	0.8
139.04001	2.4
147.04591	0.7
149.02455	1.9
156.99379	0.5
159.04607	0.8
161.01103	0.9
161.02444	28.5
162.03223	2.3
163.00389	2.2
164.01155	25.0
165.01936	19.3
175.03891	0.9
177.01949	0.6
197.04581	5.7
197.06192	0.7
201.05540	1.1
203.03441	0.7
219.06642	0.5
225.05502	0.6
226.08414	0.4
243.06633	1.0
269.04532	2.3
287.05704	5.7
319.04977	0.6
319.08478	1.1
319.14041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07118	3.7
54.82901	6.1
57.83248	4.4
59.01387	80.1
60.61395	4.6
60.77960	5.6
61.98812	5.4
75.98371	5.2
97.06624	5.8
107.08701	5.2
107.43537	4.7
111.08170	9.3
119.05047	5.7
121.06572	23.3
121.10194	19.2
147.11772	11.0
168.94066	4.9
175.14890	38.7
194.63931	5.3
201.16521	10.2
203.14392	6.4
219.13914	96.1
221.15277	5.5
245.05016	5.9
247.13329	8.6
248.14140	9.2
255.21205	70.3
298.86224	6.5
299.20093	57.0
317.21271	100.0
331.14853	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	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06093	0.2
51.58052	0.2
53.18120	0.2
55.37070	0.2
58.00603	0.3
59.01384	7.6
68.63918	0.2
70.11971	0.2
70.51481	0.2
71.01382	3.1
71.81185	0.3
73.02943	4.0
81.03410	0.3
83.01369	0.3
83.05003	0.2
84.02168	0.4
85.02944	0.5
85.05397	0.2
89.02442	0.2
95.05018	0.2
99.08163	1.0
101.02436	1.1
110.44660	0.2
113.02465	0.9
113.06088	100.0
118.30298	0.2
125.06080	0.4
127.07633	4.2
137.06161	0.3
151.74422	0.3
155.07153	1.1
245.62096	0.2
276.77444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61751	2.3
59.01380	25.6
61.98856	3.4
72.57472	2.4
96.53239	2.8
103.43773	2.8
150.08934	2.5
163.11296	5.9
165.12839	11.9
166.18405	2.9
179.10822	11.8
184.23207	3.4
191.14462	5.1
201.92242	3.3
207.10196	3.2
225.63052	3.6
255.21178	10.4
273.22369	11.6
317.21280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23695	1.5
59.01383	45.5
71.01391	22.0
73.02933	19.1
75.00890	3.7
83.01411	3.1
89.02445	2.3
93.57625	1.7
95.05037	9.2
101.02426	7.5
102.13328	2.1
108.02170	9.3
109.06583	23.3
113.06092	100.0
127.07656	4.6
137.06085	68.3
155.07144	2.9
167.07130	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	317.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	37.9
64.34361	6.8
69.95604	7.2
71.01368	11.8
74.99100	18.2
78.95938	8.9
83.01361	9.2
85.02970	7.8
96.96001	59.8
96.96962	10.0
99.04480	9.2
102.66660	8.1
109.02944	100.0
110.03297	36.5
111.03428	14.1
111.04465	7.9
119.05032	8.6
120.99649	9.3
153.01942	64.3
154.02286	14.4
154.24287	8.0
155.02419	43.2
161.04575	8.6
170.99109	8.4
175.78444	10.2
224.63670	7.6
260.23074	7.8
262.45422	7.5
279.10251	7.7
279.94629	8.2
304.54117	8.2
317.08313	9.6
318.92676	8.1
339.97775	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	317.0305
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
57.03460	7.7
57.79391	1.0
59.01384	2.3
60.01128	1.0
63.02420	8.6
65.00327	14.2
65.55466	1.2
68.72923	1.2
73.94998	1.1
77.87164	1.1
80.57231	1.1
83.01384	20.5
92.38593	1.2
93.03452	1.8
99.69157	1.3
107.01408	14.3
109.02966	2.2
117.03472	1.7
119.05057	2.4
121.02961	9.7
125.02451	45.9
133.02910	1.8
133.06581	1.9
135.04510	8.4
145.02956	2.7
147.00902	2.7
151.00397	15.0
157.06557	1.8
159.04594	10.1
160.04005	1.3
161.02451	6.9
161.06107	2.2
163.04019	8.6
173.06096	5.8
176.03484	1.3
177.05589	5.3
185.06017	3.1
187.04066	5.2
189.65947	1.2
201.05635	5.8
203.03529	5.9
205.04926	2.6
227.03435	1.9
229.05040	5.0
229.07141	1.8
231.02983	2.4
242.80127	1.2
245.04561	1.5
255.03055	1.7
273.04089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1557
Annotation	Erysotine
Peak:m/z	Relative Intensity
53.11575	9.6
54.82832	13.4
59.10453	10.8
61.89513	9.4
62.60553	10.8
67.28438	10.5
67.93063	11.0
71.50320	11.1
79.18747	9.8
82.59387	12.2
84.49818	11.9
93.64504	11.3
127.92803	11.7
160.05299	100.0
193.17274	12.6
273.15067	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.08624	1.1
56.44831	1.0
56.93001	1.1
59.01382	15.6
62.97485	1.0
80.02676	24.7
81.03453	2.0
95.05039	6.6
103.90515	1.3
106.04270	2.4
107.05047	1.6
109.06614	2.7
118.90420	1.1
119.05042	5.7
121.06609	1.4
145.06613	3.0
147.08171	5.9
148.08958	2.1
149.09731	6.8
161.09735	4.9
163.11292	60.5
165.12854	20.5
175.11226	1.7
187.11333	1.4
189.12851	31.2
189.14467	1.9
191.14490	1.8
199.11079	1.2
203.14459	1.9
217.16010	54.0
230.16698	2.5
243.17624	2.0
271.20715	65.5
290.55249	1.4
296.80933	1.2
297.18512	2.7
315.19720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1091
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.95240	0.4
59.01376	8.1
63.09608	0.5
93.03461	0.7
95.05049	0.9
96.96005	4.9
101.02534	0.6
109.02957	7.3
121.03000	0.6
123.04516	100.0
124.04827	0.7
135.04529	3.1
152.01190	1.3
153.01962	7.8
153.05582	92.8
195.03009	7.4
216.90898	1.0
217.00270	0.7
254.85773	3.2
255.05092	7.3
255.23129	0.6
315.10736	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	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89493	1.7
57.19432	2.1
58.71266	1.9
59.01380	21.6
60.64689	1.7
79.05531	3.4
79.69586	2.0
81.29658	2.1
86.24538	2.0
119.08673	15.5
123.06559	2.1
139.21358	1.9
164.16978	1.9
217.00320	5.0
244.15964	2.1
253.19603	2.9
255.23473	2.6
262.80124	2.1
263.32626	2.1
266.14963	2.3
271.20648	11.1
309.23560	2.3
315.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20897	1.1
52.86000	1.2
52.87980	1.3
55.90215	1.7
59.01379	5.4
65.00316	12.8
73.18947	1.4
74.91850	1.6
77.62665	1.3
89.00344	1.4
90.98608	1.8
91.01904	1.8
95.01385	7.2
97.02962	8.4
108.02205	1.7
121.02955	18.3
123.00947	1.5
124.01646	1.8
133.02902	1.3
134.03745	44.3
135.04521	31.6
139.04033	1.6
149.06061	1.7
149.99605	5.5
160.01564	2.2
164.01172	6.9
165.01935	45.4
166.94231	1.6
176.01184	1.8
178.02740	12.4
179.03572	12.3
187.04097	1.7
191.03516	7.7
199.04005	1.7
210.01729	30.2
211.04063	1.7
239.03513	13.0
240.04297	1.7
241.05139	2.4
254.05963	5.4
257.04428	4.4
260.12775	1.5
267.03067	3.2
282.05353	31.9
283.06174	2.1
284.03305	7.7
285.04086	21.5
297.07724	63.1
299.05621	20.5
300.06436	23.3
315.08813	100.0
319.18710	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	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05906	0.9
53.86995	0.9
55.60132	0.9
59.01384	100.0
59.80690	0.8
60.11159	0.8
60.30970	0.8
61.60480	0.8
67.49471	0.8
68.98698	0.9
71.01382	11.3
71.41612	0.8
73.02943	1.4
74.99092	27.2
85.02956	5.8
87.31647	1.0
88.98824	6.4
89.02415	1.5
93.03454	18.1
95.01401	1.5
101.02431	5.8
109.02940	3.5
113.02444	3.9
118.97230	1.9
118.98086	45.9
136.99191	7.4
143.29088	1.2
152.01164	4.7
153.00182	3.9
153.01956	10.7
153.05652	1.0
158.57047	0.9
161.04544	9.1
195.03011	8.5
247.61856	1.1
255.05182	8.2
315.11050	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	315.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.6
60.90648	1.0
71.01383	1.9
71.05020	11.0
78.95903	1.8
83.35646	1.1
92.93836	1.1
96.95982	8.9
103.09120	1.0
109.02956	29.5
117.05574	100.0
123.00845	1.2
123.03616	2.3
123.04524	76.0
135.04541	4.7
152.01169	11.6
153.01955	40.4
153.05576	77.9
156.06349	1.2
175.97255	1.2
195.03011	45.4
195.04793	1.7
232.97772	1.8
254.85869	2.3
255.05122	42.5
255.07660	2.2
293.97333	1.4
315.10767	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	315.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.9
60.65308	2.6
65.00340	16.0
69.12260	2.4
76.57532	3.2
87.86169	3.3
89.00330	3.1
89.68849	2.6
90.14405	2.9
90.26498	2.9
95.01398	5.0
97.02956	17.2
117.27539	3.1
121.02930	20.7
134.03751	56.6
135.04556	37.4
139.04185	3.2
149.06081	3.2
164.01146	4.1
165.01939	60.7
178.02692	16.3
179.03546	14.4
191.03477	6.8
210.01733	48.7
239.03458	13.2
241.05093	3.9
250.64633	3.0
254.05875	11.7
267.02948	5.3
282.05389	33.3
284.03229	5.3
285.04166	24.0
297.07785	76.4
299.05615	30.3
300.06430	24.1
315.08801	100.0
339.60471	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	315.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08525	0.4
54.97306	0.6
56.41967	0.4
59.01402	2.7
71.01417	0.5
72.51727	0.5
92.10725	0.7
95.01408	0.5
96.96016	0.8
97.74316	0.5
108.02209	3.7
109.02961	98.4
117.05562	0.7
117.49940	0.6
123.04526	1.1
152.01138	6.1
153.01950	100.0
158.59523	0.5
195.03009	16.6
210.02463	0.6
227.47893	0.6
255.05135	15.8
315.07230	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	315.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66547	0.4
57.03454	1.8
59.01390	5.0
72.07623	0.4
79.89993	0.4
80.20815	0.5
81.03471	0.7
82.02805	0.4
85.02975	0.4
89.02449	0.7
99.04532	1.8
101.02470	0.7
101.96581	0.5
105.04578	0.4
108.02190	4.6
109.02959	100.0
110.03368	0.4
117.05593	1.0
127.29479	0.5
129.82831	0.5
135.06636	0.6
152.01175	0.8
153.01944	96.3
154.19370	0.5
161.37769	0.4
195.02950	0.6
241.56619	0.5
279.10837	1.0
295.87616	0.5
315.07224	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.01923	0.8
59.01386	45.3
64.47443	0.9
65.01102	0.9
71.01379	18.8
78.01912	0.9
83.01376	1.0
85.02974	5.6
89.02451	12.8
101.02419	7.3
108.02199	1.7
109.02956	64.9
111.00880	1.2
113.02470	7.6
117.05592	1.1
119.03500	2.1
119.19826	1.0
123.04579	1.4
128.78128	1.0
152.01190	9.9
153.01939	100.0
167.03455	1.5
195.01291	1.1
195.02997	28.5
255.05135	17.3
279.10941	4.3
315.07272	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85358	1.7
59.01382	14.8
71.18239	1.8
74.99092	27.0
87.00842	1.7
101.47880	1.8
109.02971	21.5
111.00858	2.1
117.97286	2.4
118.98090	100.0
120.35012	1.6
120.99628	11.5
123.04581	1.9
134.03769	2.8
151.03987	2.8
152.01155	9.9
153.00169	8.5
153.01936	24.8
153.04527	2.3
158.66504	1.9
163.07260	1.9
167.03497	3.2
169.03360	2.5
186.11340	4.4
187.11646	3.8
195.03023	23.7
228.23517	2.0
255.05174	19.5
314.12378	3.1
315.12704	8.1
317.15744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88080	0.5
59.01396	4.0
65.40736	0.5
69.13168	0.6
71.01400	0.8
81.41224	0.6
92.10876	1.5
93.03452	100.0
109.03017	0.8
115.56698	0.5
121.02959	2.5
124.05942	0.5
126.03757	0.5
137.02441	50.9
179.03546	0.7
218.34482	0.7
236.44592	0.6
300.79739	0.7
313.09381	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	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98848	0.6
65.00335	0.5
69.70383	0.4
80.26407	0.4
83.01398	0.5
85.94373	0.4
94.00603	0.4
95.01402	3.9
107.01418	0.6
110.00117	0.7
111.00891	3.6
116.46716	0.4
119.01394	1.6
121.21341	0.5
123.00888	11.9
124.01659	2.1
125.02428	2.7
132.02162	1.0
133.03030	0.4
134.03729	0.5
139.00357	3.4
140.01154	0.8
143.87463	0.5
144.58110	0.5
145.33655	0.4
146.03772	0.7
147.00890	31.3
147.02066	1.0
148.01689	3.4
148.05345	0.8
149.02477	0.9
151.00444	0.8
159.04509	0.6
159.38611	0.4
160.01649	3.0
161.02460	2.9
162.03244	1.9
172.05295	0.7
174.03233	0.6
175.00374	100.0
175.03888	2.2
176.01173	7.9
176.04793	1.0
183.04520	0.7
185.02298	0.6
186.03192	0.7
189.01941	3.2
190.02727	16.5
191.03487	2.9
199.04057	2.0
200.04793	1.0
202.02734	0.7
204.04280	0.7
210.03326	0.6
211.04132	0.8
212.04774	0.5
213.01974	2.9
214.02779	2.2
215.03653	0.5
227.03604	3.5
228.04320	2.3
229.05106	1.7
230.02324	1.1
232.03734	6.1
239.03767	0.6
247.06181	1.7
255.02950	0.7
256.03763	7.5
271.02588	0.6
271.05981	0.6
272.03369	2.1
273.04190	0.7
300.02710	4.9
315.05136	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	313.0722
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.97607	0.6
54.68406	0.8
58.16023	0.8
59.01389	5.6
65.00334	3.3
95.02187	0.7
97.02934	1.8
121.02959	1.8
121.89997	0.8
132.02173	1.1
133.02939	3.4
135.04575	0.8
142.42870	0.8
149.99689	0.9
164.82211	0.7
165.01913	11.2
165.06905	0.7
168.38850	0.8
183.01222	1.6
183.04520	1.8
199.04079	1.3
211.04059	5.1
227.03558	3.0
239.03528	1.2
255.03015	100.0
256.03415	0.9
270.05347	1.3
283.02521	86.2
298.04868	66.1
313.07239	39.5
313.10864	1.7
313.14862	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	313.0721
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.87040	0.2
59.01390	2.0
60.43106	0.2
64.34078	0.2
74.92049	0.2
80.35054	0.2
121.02956	100.0
122.03284	0.3
180.05846	1.2
181.06604	3.8
225.05580	5.9
290.43640	0.2
309.48419	0.2
313.07233	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	313.0723
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
57.00739	0.5
58.01868	0.6
59.01393	2.6
59.57779	0.5
65.00316	8.2
66.24593	0.7
88.79665	0.6
89.00335	2.9
91.01907	1.4
97.02927	6.4
102.38133	0.6
113.36320	0.6
121.02953	4.2
132.02151	0.8
133.02948	11.5
137.85524	0.6
149.99622	3.7
151.00336	0.7
165.01939	23.6
183.04521	3.6
187.04036	0.8
197.06392	0.7
211.04050	4.7
227.03566	5.1
239.03523	0.8
255.03023	100.0
270.05353	2.8
282.01682	3.0
283.02521	87.5
297.04178	4.4
298.04865	84.3
313.07242	65.2
319.66666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10670	2.0
54.82752	2.6
57.52273	2.3
58.08493	2.5
59.01384	5.1
66.91428	2.6
69.81618	2.2
87.55389	2.6
95.41382	2.6
99.17182	2.6
100.11992	2.7
114.46747	2.7
136.04849	6.2
143.48660	2.7
149.00929	4.9
180.03796	3.7
180.27367	2.9
202.85330	2.4
294.21585	100.0
298.45236	3.3
312.22476	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53450	1.0
56.51155	1.0
57.90763	1.3
59.01405	5.5
61.98821	1.1
73.79307	1.1
77.55321	1.3
92.10075	2.0
100.40699	1.1
125.09778	1.6
135.04526	5.3
136.04886	7.3
139.11278	2.4
149.00914	5.0
164.11674	2.6
179.03462	1.5
180.03865	5.1
214.16786	1.2
250.22633	5.7
294.21576	100.0
312.22601	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.04801	0.5
55.65357	0.6
59.01396	5.7
59.01648	0.6
62.02930	0.6
69.39419	0.5
87.00905	2.8
103.00382	0.6
107.45325	0.8
127.11281	1.1
129.09183	1.1
134.03764	1.2
135.04526	21.4
136.04883	0.8
141.13652	0.6
149.00934	11.7
153.12869	5.5
169.12343	4.1
179.03517	12.1
181.12361	12.8
183.01199	11.1
197.02789	13.2
199.13460	1.2
230.02599	0.8
249.22125	0.9
265.21768	1.0
293.21326	9.1
311.16901	32.9
311.22308	100.0
312.22687	1.6
314.09433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.40205	0.5
53.41554	0.4
54.82512	0.4
59.01385	4.2
72.99319	0.7
87.00896	2.4
98.07651	0.7
99.08190	0.6
105.87702	0.5
115.07626	0.8
127.07628	0.8
134.03741	2.4
134.81924	0.5
135.03481	0.8
135.04515	16.9
141.34364	0.5
149.00902	11.1
167.14415	4.3
179.03474	9.1
180.03911	0.6
183.13902	3.6
195.13907	13.8
197.02829	2.2
199.04204	0.5
211.13406	0.6
213.15013	1.0
215.94714	0.6
240.27727	0.7
247.80576	0.6
265.21631	0.8
267.23615	0.9
293.21268	9.3
311.17285	4.2
311.22324	100.0
312.22568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01390	10.0
62.74281	0.8
64.95333	0.8
72.99283	1.4
82.50077	0.9
87.00893	5.4
99.08186	1.7
113.09752	2.4
127.11285	1.1
129.09221	6.7
134.03741	2.3
135.04523	23.5
139.11276	1.6
144.20195	0.9
149.00920	13.7
154.36601	1.1
155.10803	1.3
157.57898	0.9
169.12318	2.4
171.10266	15.2
179.03529	11.6
181.12383	4.6
183.13837	1.6
185.11885	1.2
197.11842	7.6
199.13388	4.4
201.11362	0.9
211.13437	19.1
247.07242	1.0
275.20117	1.7
293.21262	16.4
311.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17265	1.0
58.00620	1.3
59.01389	5.4
72.99329	1.5
80.52454	1.2
87.00871	2.5
99.08168	2.4
113.09729	4.4
129.09230	5.9
134.03789	4.2
135.04543	23.9
139.11256	1.1
148.99847	1.4
149.00952	14.8
149.02084	1.5
165.60928	1.1
169.12323	6.1
171.10284	1.8
179.03529	17.4
180.03722	1.2
181.12384	5.3
183.13821	1.4
193.12357	1.9
197.11894	13.9
199.13348	5.6
211.13435	21.6
275.20139	1.4
293.21237	21.9
311.22333	100.0
312.22787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01386	4.0
69.47635	0.9
71.42796	1.0
72.22035	0.7
72.99319	1.4
77.26635	0.8
79.90517	0.8
83.05038	0.9
84.94184	0.8
85.98568	0.9
87.00903	3.6
87.79519	0.9
95.12676	0.8
99.08163	4.2
103.00377	1.0
113.09750	3.8
114.39104	1.0
129.09229	5.0
134.03755	1.6
135.04559	17.2
148.14827	0.9
149.00923	10.2
163.11327	1.0
169.12340	3.5
171.10284	4.0
171.46140	1.0
179.03491	9.7
181.12355	7.7
183.13976	1.6
189.98956	0.9
193.12317	2.1
197.11867	15.8
199.13431	5.7
211.13428	25.3
213.90233	1.0
293.21277	24.6
311.22336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01392	1.7
60.18047	0.2
62.15396	0.3
64.00072	0.3
72.99326	0.4
73.50177	0.3
77.60388	0.3
79.95364	0.3
79.95711	2.2
83.62335	0.2
87.00900	1.3
96.96001	0.4
98.95615	1.3
106.89668	0.2
110.23547	0.4
119.04991	0.9
134.03737	0.3
135.04515	5.1
149.00928	4.1
162.78751	0.3
170.00453	0.4
179.03561	2.7
182.27206	0.3
183.01221	50.1
184.02013	15.3
197.02777	2.0
215.99077	0.5
216.01018	8.8
216.03094	0.4
217.23517	0.3
225.05907	0.3
293.21307	1.7
311.16922	100.0
312.17194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.2
55.96239	0.2
59.01394	0.6
79.95760	2.1
87.00847	0.5
119.05042	2.5
126.57316	0.3
135.04518	2.1
149.00941	1.7
166.91518	0.4
170.00473	2.2
179.03506	1.5
183.01218	79.7
184.02020	2.7
185.50803	0.3
191.39265	0.3
197.02797	2.4
198.70966	0.4
216.01060	1.0
225.05904	1.1
239.07523	0.6
247.20677	0.4
280.18314	0.4
311.16904	100.0
312.17227	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	311.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.4
63.87379	0.2
72.99337	0.4
79.95724	2.2
82.10342	0.2
87.00886	0.6
90.04177	0.3
111.05003	0.3
119.05029	2.3
135.04530	4.2
149.00951	3.1
170.00470	1.6
179.03505	2.7
183.01216	75.5
184.02023	2.6
184.97733	0.3
197.02841	4.0
198.03557	1.0
211.04291	0.4
216.00975	1.4
225.05984	0.4
230.02571	0.6
239.07664	0.4
247.20792	0.4
258.05435	0.3
311.16913	100.0
312.17166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93991	0.2
59.01384	2.4
59.55209	0.2
61.22688	0.2
62.36314	0.2
72.99326	1.2
74.77583	0.3
76.67477	0.3
79.95771	1.3
87.00891	1.7
95.53446	0.3
96.96020	0.4
98.95605	0.6
99.08823	0.3
103.00378	0.3
117.03453	0.3
119.05028	1.5
134.03758	1.3
135.04524	8.8
149.00935	6.5
179.03520	4.9
183.01218	69.6
184.02034	4.7
197.02832	2.0
198.03664	0.5
211.04330	0.3
216.01024	2.5
225.05933	0.5
230.02551	0.7
239.07501	1.5
247.20753	0.4
293.21130	1.0
311.16931	100.0
312.17197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40458	0.7
54.39611	0.7
57.03441	1.2
58.36031	0.8
59.01381	14.8
64.66971	0.8
66.07362	0.8
71.01400	4.0
72.99306	8.4
75.00867	33.3
83.01414	0.8
85.02979	1.9
87.00872	14.0
89.02456	4.8
92.10097	1.2
93.03450	1.6
101.02453	1.5
103.00378	1.8
117.03483	1.1
119.05025	95.9
129.01976	4.1
131.03499	1.0
133.02954	1.2
134.03767	5.5
135.04533	62.3
137.12222	0.7
142.31630	0.8
145.02972	1.1
147.03011	17.3
149.00929	33.4
149.03551	1.3
149.04549	9.3
161.02443	1.2
163.04024	100.0
165.04050	60.0
179.03510	31.4
181.72118	0.8
184.21600	0.8
196.05025	1.0
239.71790	0.9
311.07755	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.1
59.01381	15.4
71.01369	1.7
72.99299	11.9
72.99612	0.6
75.00863	47.8
83.01402	0.7
84.75233	0.7
85.02964	1.4
87.00869	16.9
89.02462	2.6
97.20738	0.7
99.00906	0.9
101.02434	1.6
103.00380	3.3
105.01918	1.4
107.05034	1.2
109.02929	1.7
117.03438	1.1
119.05016	54.9
128.44955	0.8
129.01952	3.7
133.02937	1.0
134.03711	9.2
135.04521	87.3
138.62051	0.7
139.10149	0.7
145.02945	0.9
147.02988	14.9
148.17567	0.9
149.00906	50.9
153.01942	0.8
153.72997	1.1
163.04007	43.1
163.05399	1.5
165.04030	100.0
171.71277	0.8
179.03497	53.3
299.09222	0.8
311.07761	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01382	16.4
59.01654	0.9
71.01403	3.7
72.99305	11.0
75.00866	36.9
78.82568	0.7
83.01413	0.8
83.55016	0.6
85.02973	3.7
86.24913	0.7
87.00876	19.7
89.02468	3.0
101.02428	0.7
103.00378	3.5
106.03640	0.7
107.05043	3.4
109.02972	1.7
111.00903	0.8
117.03439	0.8
119.05019	13.8
119.12606	0.7
121.03012	3.3
129.01970	2.8
131.03520	2.9
131.82898	0.8
133.02946	7.5
133.06639	0.7
134.03741	11.0
135.04526	100.0
139.03946	0.8
141.73235	0.8
147.03014	7.0
149.00925	57.0
149.02405	3.6
149.04553	13.3
149.05754	1.3
161.02454	13.7
163.04013	14.0
165.04036	72.9
177.05602	3.6
179.03510	66.2
221.04631	4.5
251.05568	6.8
311.07733	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	311.041
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
51.95876	0.5
59.01377	5.7
72.99297	9.1
84.30256	0.6
87.00874	20.9
87.01371	1.0
88.05503	0.6
89.02460	0.7
92.74487	0.5
93.03493	0.7
103.00383	3.5
103.63434	0.6
105.01929	0.7
107.05035	2.5
117.03422	0.7
130.99768	0.6
134.03737	10.4
135.04517	100.0
149.00914	66.9
179.03497	59.1
179.05115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87231	1.7
52.34647	1.8
57.46001	2.0
59.01386	16.3
61.90987	2.3
69.45777	2.0
72.99320	10.6
77.68869	2.4
81.78614	2.2
87.00875	21.6
89.02486	3.6
103.00356	3.2
107.05074	2.6
107.19799	2.2
113.02385	2.4
121.57396	2.1
121.81785	2.0
122.62021	2.1
134.03757	11.6
135.04527	100.0
149.00914	59.7
161.35048	2.2
169.22417	2.3
174.34392	2.2
179.03490	51.1
179.05020	3.0
179.05678	2.2
311.05347	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	311.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25195	0.4
50.59195	0.4
52.20692	0.4
54.89561	0.4
59.01379	5.1
72.99313	7.5
73.02945	0.9
87.00880	18.3
91.05579	0.7
103.00376	4.3
105.01979	0.7
107.05069	3.0
112.98828	0.6
114.39151	0.5
117.01958	0.6
117.03455	0.6
130.99863	0.8
134.03734	9.1
135.04533	100.0
141.28763	0.5
148.99153	0.7
148.99719	1.2
149.00931	58.3
179.03513	63.7
288.92453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0411
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
54.82517	0.6
59.01389	40.1
59.74075	0.6
61.16280	0.7
63.20623	0.5
72.99313	11.4
85.02967	0.8
87.00874	20.3
90.01808	0.7
103.00362	4.9
105.01934	1.2
106.04289	0.8
107.05044	3.1
117.03457	1.1
121.02869	0.7
130.99875	0.8
133.02975	1.4
134.03745	10.3
135.04517	100.0
149.00914	67.2
149.02174	0.7
149.04526	1.0
161.02390	0.8
179.03500	65.1
251.11343	0.8
286.59164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03451	0.5
59.01371	0.6
60.76784	0.4
80.11420	0.5
95.05037	0.5
97.02970	0.8
97.06589	3.1
101.24978	0.5
104.74077	0.5
105.25936	0.6
111.08150	0.8
111.62877	0.5
113.09728	2.2
115.07651	1.2
124.24877	0.7
125.06093	0.9
126.06845	1.8
139.11284	0.9
141.09189	2.1
160.62299	0.5
162.58571	0.6
165.12808	4.2
167.10741	0.7
167.14395	2.2
171.46370	0.5
181.12410	4.3
183.13861	1.9
187.26888	0.5
193.12312	2.3
195.13921	2.8
211.13428	4.9
213.14940	0.8
221.15430	2.7
240.13678	2.8
241.14526	0.6
247.20729	5.7
263.20081	0.6
268.68799	0.5
273.18713	3.7
281.21246	2.4
291.19702	46.0
309.20764	100.0
310.21204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69829	2.3
59.01395	4.5
71.05039	18.4
76.99394	2.4
78.41081	2.6
83.05022	3.7
95.05060	13.1
97.06577	4.0
105.03471	19.7
107.05054	2.9
121.10219	11.7
123.08233	3.9
125.09709	10.2
133.02953	86.9
133.03877	4.5
137.09720	15.2
171.10255	31.7
172.92111	2.8
177.01923	23.8
185.11855	21.6
209.11940	13.3
251.16504	36.2
291.16312	7.5
291.19653	100.0
309.17596	3.6
309.20752	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42891	0.6
71.01379	0.8
71.72976	0.6
76.04935	0.7
76.48713	0.7
78.10203	0.7
78.86626	0.6
80.02710	0.9
81.42004	0.6
97.06584	0.7
98.03660	0.7
101.88676	0.7
102.14413	0.7
111.08174	4.9
121.11185	0.7
125.09682	1.2
127.11263	1.8
130.95955	0.8
151.11348	1.2
152.87103	0.9
153.12854	7.9
153.77707	0.7
155.10828	1.7
167.10846	1.2
169.12325	1.5
179.10606	0.7
179.14445	1.3
181.12379	6.4
193.15993	1.2
197.11797	4.1
199.13411	1.7
207.13945	3.3
215.12859	1.6
227.12932	0.8
247.20673	6.5
263.20273	1.4
265.21643	0.9
273.18616	3.9
281.21066	1.5
291.19711	52.6
304.97495	0.8
309.20770	100.0
310.21274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20413	0.5
57.03460	2.7
59.01375	0.7
62.47123	0.6
68.86447	0.6
69.03458	1.3
71.05028	1.2
81.03472	1.0
92.10777	0.7
94.14244	0.7
97.02955	1.2
97.06599	1.2
98.03735	0.9
106.04281	0.8
111.08162	0.7
125.09709	2.7
140.35239	0.7
141.12921	1.3
142.02708	0.6
150.58199	0.7
153.12805	1.6
158.89784	0.7
163.11302	5.8
165.09233	1.2
165.12846	9.4
166.10052	0.7
171.10294	0.9
179.14465	4.6
181.12306	5.2
184.62242	0.6
185.11909	0.8
187.80124	0.7
193.15999	2.9
195.14206	0.7
197.11842	4.8
202.17987	0.8
209.11832	1.5
209.15535	1.4
223.13382	4.2
247.20749	10.9
263.20187	0.9
273.18600	3.3
291.19696	100.0
292.20090	1.7
309.17654	2.8
309.20755	79.6
310.21017	0.8
311.59244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80165	2.2
54.83002	2.0
59.01404	3.0
59.70380	2.1
111.08173	26.4
111.76149	1.9
133.02895	2.2
148.76932	2.1
165.83173	1.9
169.12311	10.8
181.12239	2.6
197.11845	100.0
199.13515	3.5
211.13435	12.8
214.48022	2.3
222.00720	2.2
236.85727	2.3
263.20114	9.5
291.19662	17.9
298.65604	2.1
309.20731	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61641	1.2
59.01398	1.1
59.47836	1.1
63.50511	1.2
111.08175	25.3
111.60574	1.3
129.03329	1.4
169.12297	10.4
183.13919	1.5
197.11852	100.0
199.13440	1.5
211.13486	9.0
227.12941	1.7
240.16429	1.4
263.20340	2.0
269.59052	1.5
291.19781	16.9
309.20786	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23583	1.7
57.74349	1.8
59.01388	21.4
69.03506	2.2
71.05045	5.2
80.07089	2.4
85.06608	2.1
95.52649	2.2
97.06579	3.5
99.02782	2.1
105.03484	13.7
121.42318	2.6
125.09715	2.6
132.60390	2.4
133.02943	58.6
177.01955	15.2
195.13896	23.5
207.17609	5.0
211.13370	11.4
221.15570	4.9
223.17062	30.1
233.15482	19.2
251.16550	100.0
251.19226	3.5
262.70462	2.9
273.18497	3.1
291.19751	39.3
306.91742	2.7
309.20749	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37990	0.5
57.95031	0.5
64.02563	0.5
69.03458	13.9
79.06458	0.5
83.05038	2.7
92.10095	0.8
93.03440	0.7
96.14100	0.6
105.03469	1.0
107.08709	1.1
108.05810	5.1
119.08660	20.0
125.09749	0.6
127.11332	1.3
133.02980	5.3
135.08160	3.8
137.09727	64.2
151.07738	0.7
160.51100	0.7
162.10556	0.7
171.10274	100.0
172.10599	0.7
177.01903	0.8
179.10800	2.9
180.07854	0.7
201.11293	5.0
273.18588	2.8
291.19641	5.9
309.17181	1.6
309.20728	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.81712	3.7
57.03458	8.2
57.84385	3.7
59.01399	19.8
67.18603	4.0
68.03046	4.3
83.05072	5.1
94.35252	5.1
95.05063	6.8
97.06618	5.6
105.03477	5.2
111.08160	46.6
113.09763	8.3
133.02988	46.5
151.07765	5.6
151.11349	10.5
152.08417	7.8
165.12860	9.3
167.10809	5.9
177.01965	11.3
181.12323	18.7
193.13654	4.7
195.13939	27.9
202.85330	4.7
209.11839	34.7
209.15453	10.4
245.78682	5.2
291.19687	100.0
309.17447	6.3
309.20691	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	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.00564	2.3
59.01391	11.7
59.43710	2.0
71.05037	14.2
78.47532	2.2
95.05054	5.0
97.06616	3.6
102.02153	2.8
105.03458	25.6
121.10260	11.8
125.09731	9.1
133.02950	85.9
137.09729	13.8
171.10283	39.0
177.01967	22.4
185.11835	16.7
251.06918	4.0
251.16553	43.6
253.44290	2.6
279.06784	4.4
291.19684	100.0
309.20786	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03463	3.4
59.01390	6.1
69.03475	1.7
81.03445	3.4
83.01386	12.3
83.05055	6.4
91.53436	1.7
92.10133	6.6
95.05035	6.1
97.06594	6.2
105.03471	2.4
111.08141	1.7
123.04533	7.1
123.08187	3.5
125.09716	18.8
127.11162	1.5
133.02919	15.9
139.11290	20.0
151.04120	1.8
151.11357	1.7
152.08493	2.0
160.03085	1.5
163.11287	8.6
165.12819	19.3
167.10785	8.3
177.01942	3.6
181.12367	3.1
191.10820	3.1
193.15929	2.9
209.11862	61.7
247.20772	17.2
265.21820	3.1
273.18469	6.2
276.65720	1.5
291.19693	100.0
309.17361	2.5
309.20752	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.98844	6.5
64.80560	1.3
71.05039	2.4
95.05029	3.9
105.03463	7.8
111.08095	1.9
133.02956	32.3
161.30928	1.4
165.12842	1.9
177.01947	12.0
200.65726	1.5
216.52559	1.8
251.16556	10.3
273.68918	1.5
291.19592	8.7
309.17203	3.3
309.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01888	2.5
58.00597	1.8
59.01384	100.0
69.03461	1.2
70.02987	1.1
71.01379	25.9
72.99312	1.9
73.02937	1.7
78.95907	1.2
83.01396	6.5
83.05047	1.7
85.02956	11.6
86.00108	1.5
88.91969	1.1
89.02440	27.3
94.40845	1.1
95.01384	1.3
95.59036	1.2
99.00881	7.2
101.02442	19.8
101.06067	1.4
105.03487	5.6
111.04509	2.0
113.02445	9.8
115.04001	2.8
119.03489	12.2
123.04454	1.4
129.04614	1.7
129.05565	19.6
132.94569	1.2
133.02956	24.3
143.03584	1.7
145.98846	1.5
147.06654	2.2
156.10342	1.2
161.04605	1.4
177.01906	8.8
179.05591	2.3
213.96884	1.3
227.19745	1.2
288.82672	1.3
309.11975	85.8
319.84189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58228	0.3
59.01395	0.4
60.82989	0.3
60.97578	0.3
66.64460	0.2
88.25853	0.3
96.92906	0.3
105.03482	1.4
108.63110	0.3
110.64183	0.3
131.26616	0.3
133.02962	4.8
148.05319	45.5
149.05978	0.4
152.08470	0.6
165.05582	0.7
177.01930	1.6
179.01746	7.6
180.04294	100.0
181.04593	0.5
197.02853	0.4
208.21770	0.3
209.15550	0.4
265.21716	2.1
291.19821	0.4
309.15195	6.1
309.20746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05146	0.4
57.03458	7.9
59.01390	20.9
62.33562	0.4
64.67719	0.4
67.63793	0.4
72.99316	16.4
73.02963	3.0
74.24857	0.4
79.51373	0.5
80.25464	0.4
83.84422	0.4
85.02964	39.9
95.05042	0.7
101.02440	5.1
103.04031	3.1
105.03471	0.7
129.01944	21.1
133.02953	6.3
134.03752	0.7
135.04529	24.0
147.03011	100.0
151.02771	0.5
161.02390	0.5
163.04080	0.5
164.34634	0.6
177.01926	2.4
179.03508	11.8
240.20070	0.5
315.10474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21942	0.5
55.20447	0.5
57.03458	8.1
69.54288	0.5
72.99310	19.9
72.99690	0.9
73.02956	3.2
73.21089	0.5
85.02958	39.1
101.02444	4.4
103.04012	2.3
105.03465	0.7
107.05041	0.9
129.01944	19.5
133.02945	5.4
134.03769	5.3
135.04524	51.9
147.03009	100.0
177.01927	0.9
179.03502	23.5
194.21567	0.5
203.37720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	6.1
59.01393	11.3
61.13021	2.3
67.60566	2.7
69.03461	3.3
75.08205	2.5
83.01412	2.8
83.05061	3.2
95.05034	4.8
97.02972	4.2
97.06606	14.5
107.08637	3.2
123.04526	15.3
125.09737	29.8
135.08174	11.3
137.09752	19.3
141.27003	3.3
159.81352	2.9
163.11307	14.9
181.12350	4.1
185.11824	16.3
191.14516	12.4
207.10355	12.5
209.11932	27.1
217.16019	3.1
225.11275	3.4
231.94936	2.9
245.19092	57.3
263.20227	5.0
279.19809	4.4
289.18109	78.7
307.19186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
51.89029	0.3
53.60333	0.2
60.38086	0.3
64.77640	0.3
70.28917	0.3
113.09739	0.6
122.33602	0.3
151.80537	0.3
185.61908	0.3
189.78098	0.3
214.49615	0.3
229.60249	0.3
307.22852	100.0
308.23123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.2
60.63594	0.5
72.71381	0.5
72.99301	20.8
73.02950	3.7
78.09412	0.6
85.02946	42.2
90.12261	0.5
92.10796	1.1
95.30825	0.6
101.02434	6.4
103.04027	3.5
105.03463	0.9
107.05018	1.2
129.01938	21.5
129.03520	0.5
129.92152	0.6
133.02927	8.7
134.03770	6.1
135.04521	53.8
147.03000	100.0
177.01892	3.1
179.03505	25.5
204.74002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.41069	3.2
54.82354	3.4
59.01384	7.3
69.23174	3.3
76.57128	3.7
92.10181	9.8
109.06576	4.9
109.81124	3.8
123.04484	3.6
137.06081	4.1
151.11275	4.8
153.09250	5.7
155.10767	8.0
191.14424	4.2
207.45280	3.8
245.19113	30.4
251.73039	3.9
263.20071	13.4
289.18115	42.2
307.19205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03460	20.6
57.73717	2.7
59.01392	13.5
69.03458	6.3
71.01385	17.0
80.02684	5.6
83.05037	11.9
92.10735	6.9
95.05017	6.4
97.06600	28.9
111.08183	15.9
114.38902	3.8
123.04517	6.5
123.08202	4.9
125.09741	5.9
149.09665	4.8
151.11255	41.1
153.09296	4.2
153.12892	6.1
155.10791	12.4
163.11255	15.6
165.12816	37.2
167.10809	4.1
177.12808	3.8
179.10803	12.2
181.12354	66.6
191.10754	27.9
191.14384	7.3
192.59756	3.4
195.10222	4.0
209.09926	3.2
209.11852	100.0
211.13437	6.5
233.89224	3.2
245.19107	32.8
271.17120	4.0
273.51785	3.6
279.19644	4.6
289.18124	24.3
307.19193	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09203	1.2
57.03434	1.2
59.01380	3.3
66.63116	1.2
66.77122	1.4
67.24145	1.3
71.09852	1.3
94.37121	1.5
96.31866	1.4
98.03753	2.7
109.06599	6.1
111.08136	1.5
125.09702	2.1
127.07678	1.9
127.11223	1.6
132.42700	1.4
132.73395	1.4
149.09717	2.8
151.11288	3.4
153.09155	3.1
155.10767	8.6
162.10440	1.6
167.10805	2.8
170.17613	1.6
177.12767	2.3
191.14421	7.1
197.11876	3.1
205.12402	1.7
239.09447	4.4
245.19098	35.0
263.20081	7.8
271.16891	1.7
279.19644	1.8
289.18112	43.3
307.19180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40990	6.0
59.01390	7.1
76.26369	6.6
81.03499	8.2
83.01401	11.7
97.06612	8.1
104.69857	6.5
107.61938	7.3
123.04534	12.6
125.09733	34.7
137.09682	27.2
148.81520	6.5
152.49609	6.3
163.11325	12.0
185.11853	14.6
191.14445	26.8
206.32663	6.6
207.10251	10.9
209.11896	77.5
225.11293	9.5
245.19102	61.5
289.18195	100.0
307.19254	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	20.5
59.01382	18.7
60.14691	2.2
65.05732	2.5
66.30905	2.6
69.03462	3.9
71.01408	12.6
79.05143	2.5
80.02700	2.8
81.03477	2.4
83.05044	10.5
85.68598	2.5
95.05064	3.1
97.06605	27.2
97.62899	2.7
98.68951	2.4
109.06611	4.0
111.08168	16.0
113.84506	2.3
121.06581	4.4
123.04526	11.8
125.09757	11.5
137.09734	5.3
138.06926	2.8
145.10283	3.2
149.09731	3.5
151.11302	34.2
153.12885	4.1
155.10794	5.1
158.22437	2.3
163.11276	17.5
165.12842	34.6
165.60912	2.2
167.10812	5.2
171.10356	5.4
174.67839	2.5
179.10822	14.2
181.12355	58.3
185.11861	5.5
190.51402	2.5
191.10847	22.1
191.14426	4.3
191.19348	2.9
195.10408	2.5
205.12346	3.3
209.11862	100.0
209.13737	4.6
211.13417	10.5
242.95662	2.5
245.19131	32.5
261.18591	3.0
263.20111	4.7
271.17084	3.2
289.18082	34.8
292.08481	2.4
307.19119	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77784	1.4
53.73631	1.6
54.21396	1.3
57.03457	2.4
65.44969	1.9
66.63687	1.4
69.03457	2.1
71.71783	1.5
81.03469	3.8
97.02961	4.3
99.29263	1.7
102.46501	1.7
109.29874	1.5
121.06627	2.1
123.04537	8.4
125.09715	9.2
136.61642	1.6
137.09708	13.1
162.10530	2.4
163.07690	2.7
163.11317	14.9
172.85158	1.7
177.12856	2.5
179.10757	2.1
181.12340	3.6
185.11850	21.0
191.14372	15.9
207.10240	13.1
217.16144	2.6
225.11311	10.2
245.19102	42.5
249.94475	1.8
271.16968	2.7
279.54279	1.7
289.18127	100.0
307.19174	44.8
316.03146	1.9
324.81277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Albocycline
Peak:m/z	Relative Intensity
59.01411	8.5
79.40627	6.9
98.64502	8.4
109.06610	9.1
114.39087	8.2
125.06084	10.6
143.07104	17.2
153.12817	11.5
155.10770	12.3
167.48914	8.4
177.12723	8.0
181.12271	15.7
193.41946	8.1
209.11937	32.8
245.19049	35.9
289.18042	60.4
307.19202	100.0
311.13269	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.3
57.03455	7.4
59.01394	3.0
59.43421	1.4
65.03967	70.2
65.04314	2.3
69.03458	2.3
71.05019	43.7
75.28125	1.5
76.82227	1.5
83.05035	2.9
93.03432	1.4
95.11675	1.5
97.06585	77.1
98.40086	1.5
99.14909	1.5
117.07069	1.8
119.08687	17.7
121.06593	100.0
123.08139	8.3
125.09726	49.6
128.64745	1.6
135.08141	9.5
137.09770	11.4
171.10236	8.2
185.11829	70.3
209.07823	1.6
209.11862	35.0
211.13429	37.7
233.15471	3.1
235.13423	76.6
235.15750	2.8
245.19095	2.7
249.14955	2.5
257.06396	1.6
289.18109	36.2
307.19171	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	49.3
61.98838	4.7
65.03973	68.6
65.62259	4.5
65.87032	4.7
67.40805	4.2
69.03550	4.9
70.81369	6.3
71.05019	63.7
82.58237	4.9
95.05029	7.2
97.06580	67.3
110.36963	5.0
119.08649	8.1
121.02979	7.1
121.06583	92.5
123.08186	6.1
125.09680	41.5
185.11835	62.0
209.11848	29.3
211.13390	48.5
228.03629	5.8
233.15517	11.8
235.13438	100.0
289.18076	59.7
307.19183	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56075	0.4
58.02771	0.5
59.01391	2.1
74.99078	6.2
91.02208	3.6
93.00121	6.2
109.06628	0.6
149.00980	4.9
155.10774	1.0
159.08476	8.3
161.06436	3.9
167.10751	0.6
191.14378	0.9
206.99797	1.8
209.01311	4.0
214.41284	0.5
215.80632	0.5
217.07187	0.5
223.02879	51.3
224.02882	0.5
241.03905	1.0
245.19144	3.1
282.40652	0.5
289.07608	2.3
289.18176	4.1
291.09164	100.0
307.12354	3.3
307.19202	12.2
309.10312	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39883	0.8
57.11489	0.8
59.01376	1.0
61.99408	0.8
74.99085	5.9
91.02245	1.8
91.93201	1.1
92.10131	1.0
93.00148	6.5
95.68679	1.0
149.00992	2.3
159.08481	6.3
161.06435	2.0
206.99707	1.9
209.01389	1.3
217.07137	1.7
223.02859	49.8
289.07477	2.4
291.09149	100.0
307.12241	2.2
307.19290	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	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14014	0.3
56.63611	0.4
59.01390	100.0
71.01392	1.6
75.98243	0.4
79.38021	0.4
89.02445	1.9
92.10068	0.5
101.02422	0.9
145.06923	0.4
152.70303	0.4
174.17595	0.4
179.05666	0.4
180.89224	0.4
182.44569	0.4
226.14391	0.5
273.32385	0.4
305.81088	0.4
307.13947	1.5
315.65515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01393	16.2
70.69784	2.7
76.49691	2.7
104.28992	3.0
141.01672	3.9
199.53836	3.2
257.37881	3.5
298.65561	3.3
305.24939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11386	0.6
57.03450	15.2
59.01376	9.2
59.20842	0.6
63.24630	0.7
68.99558	1.2
71.01379	6.4
72.99316	1.1
75.00875	4.4
78.95896	7.2
79.95732	0.9
83.01379	3.4
85.02937	7.3
87.00871	63.3
89.02457	3.0
92.65088	0.7
96.24174	0.7
96.96001	100.0
96.96915	12.3
98.95584	1.3
99.00874	3.7
101.02450	4.5
111.00851	5.0
112.98535	1.1
129.01941	17.0
135.04181	0.7
145.93353	0.7
147.02998	15.8
191.01976	30.5
209.03021	12.2
209.06654	1.2
227.68813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80701	4.1
59.01387	6.8
67.40321	3.5
72.04562	22.8
76.39311	4.2
87.05659	8.6
88.04034	6.1
91.05543	8.8
92.10112	12.0
100.04047	100.0
115.05152	48.4
144.03079	32.5
146.83217	4.2
176.07195	9.8
190.05090	4.5
201.10313	5.0
234.78185	5.4
235.10863	32.8
245.09337	19.9
246.48174	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28468	1.6
53.87403	1.8
55.63293	2.0
57.03473	3.7
58.79063	1.8
59.01393	38.8
60.40142	2.2
61.00542	1.7
67.48979	1.8
69.03447	1.9
71.05027	80.0
72.65701	1.8
74.40460	1.9
80.02691	2.3
80.85137	2.0
81.03460	10.1
81.90904	1.9
82.66994	2.2
83.05025	2.9
93.03515	2.6
95.05035	34.7
96.93654	2.1
104.09361	2.0
106.04280	5.1
107.05076	3.3
109.06596	33.8
111.04530	5.2
115.12966	2.2
119.05018	3.0
121.06586	10.8
126.19781	2.2
127.07696	2.4
135.08171	5.1
141.01674	4.6
147.08159	8.1
150.06824	2.1
161.06102	3.6
165.09224	14.1
179.14401	2.4
189.12865	29.2
205.16069	17.4
227.72375	2.2
231.13776	2.2
233.11865	9.9
243.17583	14.1
249.14996	19.3
262.46124	2.1
269.15369	3.3
287.16586	100.0
305.17596	92.6
314.04120	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	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82382	5.7
59.01383	44.6
60.37498	4.3
80.79456	5.2
81.75676	4.7
101.85766	5.0
106.67904	6.2
107.05049	7.6
121.02966	7.1
121.06583	7.3
124.05305	5.4
128.10745	5.6
141.01678	13.4
153.09242	13.1
167.10847	7.1
243.17616	62.7
261.18582	22.3
287.16470	42.9
305.17596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.20539	1.7
54.05738	1.6
54.82475	1.3
54.82762	1.8
56.91277	1.6
59.00611	1.9
59.01383	14.0
64.68538	1.8
81.84220	1.9
85.90612	2.1
112.45150	1.6
176.57623	1.7
305.21396	4.0
305.24887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.0
59.01390	9.6
59.51943	0.9
61.04524	0.9
64.82301	0.9
69.03436	0.9
70.16409	0.8
71.01431	1.0
74.22057	0.9
80.02702	1.6
81.03481	1.0
83.05038	1.5
93.03470	1.2
95.05014	1.7
97.06613	2.0
97.82123	0.9
102.99703	0.9
105.07091	1.7
106.04293	1.1
107.08686	11.6
109.06657	1.1
117.07168	1.4
123.08169	6.3
125.09698	7.9
133.06601	1.3
135.08131	10.9
137.09691	2.1
140.25729	1.0
146.07431	1.4
149.06088	1.1
149.09773	2.0
151.07681	1.1
151.11302	2.1
153.09248	1.6
161.06090	1.0
161.09720	1.9
163.07521	1.2
171.10287	1.2
177.09259	1.2
179.10893	1.0
181.12381	1.6
189.12837	5.5
198.08864	1.0
207.13930	3.9
213.11447	1.4
243.17567	26.9
261.18466	7.5
269.15552	3.8
277.18161	1.5
287.16556	31.2
305.17618	100.0
306.18082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
53.33601	2.9
59.01400	5.1
66.59650	3.4
67.28229	3.0
91.05524	29.1
92.10859	3.3
97.06604	4.4
106.04247	26.1
107.08678	5.9
117.07100	26.5
119.05045	26.2
123.98333	3.6
125.09703	26.2
135.08157	100.0
161.06094	20.8
170.47977	3.6
171.10274	4.2
178.90111	4.0
185.11740	4.6
243.17511	4.6
261.14832	7.8
269.15414	7.0
277.18134	17.0
287.16550	31.4
305.17612	90.8
305.88766	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61897	1.9
57.03463	9.7
59.01388	4.4
60.05630	1.8
62.88126	1.9
69.03482	3.5
73.04745	2.0
77.05950	1.9
84.34293	1.9
84.74697	1.9
93.03460	2.6
97.02965	2.4
97.06603	10.7
100.03323	2.1
109.06605	3.5
111.48228	2.7
117.07198	2.2
119.05041	8.5
119.87170	1.9
120.05808	19.8
120.14346	2.1
123.04543	18.2
123.08134	2.5
125.09735	18.4
135.08165	94.0
137.09686	3.1
141.12866	4.8
147.04549	4.4
151.87682	2.2
161.09689	3.2
163.11198	2.1
163.60880	2.0
175.07622	5.2
184.40872	2.2
185.10193	3.0
185.11848	95.2
189.12846	8.3
192.95088	2.1
193.94867	2.0
203.03703	1.9
205.16255	2.2
207.10474	2.0
243.17548	36.2
245.15527	3.1
269.15524	4.1
287.16559	100.0
305.17639	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01386	7.7
71.39913	0.6
80.02693	1.7
81.03487	3.1
82.93904	0.7
83.05025	9.6
95.05034	3.0
106.90388	0.7
109.06604	1.3
115.57131	0.7
118.29839	0.7
121.02988	2.9
122.03741	0.9
125.06039	0.8
125.09768	1.0
133.02962	2.9
135.04532	4.8
135.08167	4.5
147.04552	3.7
161.06049	0.8
163.11305	8.3
165.12849	4.8
175.93002	0.7
176.08458	6.7
177.09222	1.1
178.09988	4.0
181.12440	2.6
190.10112	0.8
191.10799	1.5
192.11555	1.0
207.10280	1.5
209.11864	100.0
211.13409	2.5
236.10576	3.3
243.17494	1.6
245.15283	0.9
261.18555	5.7
263.96802	0.7
269.15549	0.9
274.91525	0.7
287.16571	9.2
305.17621	71.7
320.71268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01892	1.3
57.03459	2.3
59.01390	13.4
62.48106	0.7
65.03982	4.1
71.05027	9.0
79.05535	16.7
93.03465	1.1
95.05045	1.5
97.06586	18.6
106.04261	9.8
107.05027	4.1
109.06611	2.1
117.07102	3.9
119.05049	1.1
120.05807	6.3
121.06579	5.4
123.08168	7.5
125.09732	16.4
128.57175	1.1
133.06618	1.3
135.08165	100.0
137.09746	4.3
150.66161	1.0
151.11249	1.2
152.64308	0.9
161.09610	0.9
162.06876	1.5
178.80551	1.0
185.11803	1.5
189.12807	1.4
205.15987	6.6
207.10368	1.6
209.11844	1.8
210.57126	1.1
217.27409	1.2
221.11836	1.9
249.14993	47.8
287.16568	9.7
305.17627	57.5
305.21155	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	305.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12974	0.2
55.01882	1.3
56.82740	0.2
57.03453	0.4
58.74532	0.2
59.01383	100.0
63.97129	0.3
64.79894	0.3
71.01379	4.9
72.99332	0.4
73.02946	1.5
78.54759	0.3
79.70319	0.3
83.01391	1.8
85.02950	3.6
92.10128	0.9
94.88735	0.3
95.01386	0.3
99.00874	1.2
101.02445	6.8
113.02454	2.1
128.77322	0.2
161.04544	1.3
165.83403	0.3
241.40698	0.3
246.11105	0.3
263.15039	6.3
274.29434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.9
65.82585	1.2
69.03465	6.1
82.93599	1.0
83.05027	2.0
93.03450	1.6
95.05032	1.6
97.06611	4.8
102.04755	1.9
107.05041	2.5
109.06635	1.4
113.08434	1.2
117.07098	100.0
119.05053	1.8
123.08134	1.8
125.09695	16.3
135.08141	16.9
140.11772	1.3
141.01680	1.4
143.05086	1.4
151.11316	1.3
155.07457	1.3
167.10809	5.3
179.10837	1.3
179.14417	6.2
185.11798	4.4
195.13911	16.1
205.12337	13.2
209.11902	2.6
223.13408	94.2
243.17444	2.1
244.51923	1.2
245.11633	8.1
245.15392	1.3
268.84186	1.1
277.18005	6.8
287.16559	88.7
305.13690	10.2
305.17523	12.0
315.38745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82571	0.8
57.03457	0.9
59.00922	0.8
59.01385	29.3
63.42181	0.7
63.56716	0.8
66.17152	0.6
66.21829	0.7
68.24050	0.6
69.03466	5.1
70.31837	0.7
80.47723	0.7
80.91692	1.0
83.05053	0.8
95.05048	1.6
102.04747	1.2
109.06602	1.6
117.07102	24.5
119.05023	1.3
119.79314	0.8
121.61823	0.9
125.09731	5.5
135.08163	5.6
139.49730	0.8
141.01770	1.1
149.09669	1.0
167.10753	4.6
177.12781	1.5
179.10770	1.7
179.14471	5.8
188.82979	0.7
195.13887	16.7
205.12379	13.5
223.13412	100.0
224.47707	0.8
245.11638	6.9
277.17908	1.4
287.16534	29.4
305.13721	12.7
305.17572	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
55.18582	1.1
56.97650	1.1
58.81173	1.1
59.01385	100.0
71.01390	5.7
71.05043	2.2
73.02932	2.4
74.99088	1.3
85.02967	6.1
101.02448	2.8
101.06068	5.4
102.98594	1.9
111.40504	1.1
130.08748	5.2
158.27299	1.3
161.04495	1.8
233.13304	1.5
241.15610	1.8
257.76791	1.4
263.11349	5.6
280.17825	1.3
304.53806	1.6
305.15567	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	305.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	62.1
65.00331	2.9
65.96267	2.3
68.99814	3.5
71.01379	5.5
73.02939	4.3
75.98434	2.8
77.55201	2.7
79.00475	2.3
83.01369	21.0
85.02961	12.0
96.95453	2.5
96.95994	26.6
97.02917	3.4
101.02452	4.7
101.06069	5.1
107.67902	2.9
109.02941	6.0
113.02383	2.7
120.99677	35.9
123.04514	4.4
125.02438	29.8
131.07143	3.3
141.01776	2.9
143.01707	5.0
151.00345	30.9
151.03993	4.8
153.00703	3.2
153.01950	100.0
161.04561	5.7
161.08188	4.0
259.08307	14.9
263.11328	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47994	1.1
55.01886	2.1
57.03453	1.9
58.00595	1.8
59.01382	97.6
71.01377	36.2
72.99326	1.9
73.02931	2.1
74.99062	1.5
79.95734	27.0
80.96548	1.5
81.07104	15.1
83.01393	2.8
85.02953	11.8
87.00869	2.3
88.04061	2.8
89.02435	35.6
89.02937	2.0
92.10156	2.0
95.01402	1.8
99.00889	1.5
101.02444	17.0
106.27280	1.7
109.02946	2.3
113.02447	15.5
119.03487	13.3
121.02954	40.4
122.03722	2.9
125.06091	2.7
128.90744	1.5
135.04512	2.0
146.06090	5.7
161.06081	1.4
163.07625	9.0
165.05569	100.0
186.19284	1.4
189.06670	2.8
225.07724	44.8
245.01256	6.7
261.22003	1.5
276.39545	1.5
287.52759	1.5
294.25616	1.4
300.41220	1.6
305.03397	99.1
305.06940	3.2
305.12512	29.8
305.15799	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0338
Annotation	DIF-1
Peak:m/z	Relative Intensity
58.00604	2.9
59.01380	35.8
71.01369	13.9
73.02959	2.1
79.95728	23.8
83.01398	3.2
85.02982	2.7
87.00870	2.7
88.04059	2.6
89.02493	3.4
99.00860	3.7
101.02459	10.0
106.47968	2.2
109.02982	3.6
111.04482	2.4
115.00395	3.0
115.03995	2.5
115.60359	1.8
121.02955	33.7
122.03726	3.7
123.82606	2.0
125.02429	4.4
135.04498	4.6
146.06120	3.4
158.06081	3.0
161.06232	2.3
161.62416	2.1
163.07690	11.3
165.05573	98.9
179.03554	2.0
189.06763	3.1
205.62750	2.5
225.07733	38.2
243.03235	3.7
245.01212	3.0
261.13705	2.4
275.08630	2.3
305.03421	100.0
305.06891	7.3
305.12460	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	304.2284
Annotation	Samandarine
Peak:m/z	Relative Intensity
59.01397	2.3
61.98836	0.5
66.72534	0.4
67.31160	0.4
86.06111	42.8
111.80452	0.5
115.53754	0.5
130.05066	0.7
141.01617	0.5
262.21729	2.1
304.22842	100.0
305.23019	0.6
313.73502	0.5
317.66522	0.6
318.95877	0.4
319.40289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55491	1.7
56.64144	1.8
58.02982	62.3
67.28645	1.8
73.98703	1.8
81.59784	1.8
107.36061	2.2
107.52369	2.1
110.12927	1.8
124.65074	1.9
143.83476	2.4
168.13943	100.0
180.52847	1.9
183.74504	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
73.89905	2.1
83.10390	2.4
85.35832	2.3
97.67444	2.3
102.00262	2.9
119.07447	2.6
119.86768	2.6
133.47533	2.3
134.09763	100.0
158.28308	2.7
160.07683	2.7
162.23813	2.3
189.11667	5.0
190.12386	57.9
205.34572	3.1
260.20193	95.4
262.20340	3.4
304.19275	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	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
52.90424	0.6
65.54721	0.8
67.99149	0.7
75.38652	0.8
78.40543	0.7
82.42844	0.7
105.62823	0.8
115.24677	0.6
128.89368	0.7
138.10176	0.8
207.62634	0.7
303.23312	100.0
313.03757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	64.0
60.01730	5.7
61.01830	0.9
61.98839	100.0
73.18300	0.9
73.36639	0.7
74.09219	0.7
80.94187	0.8
112.96647	0.8
116.02635	1.6
117.00472	1.8
117.02246	1.3
118.00521	1.3
119.00196	3.4
142.65170	1.0
158.03636	1.1
159.01508	9.5
160.01613	21.8
161.01213	23.5
161.98952	17.8
162.01660	5.0
183.64319	0.9
201.02563	1.2
202.02724	3.8
203.02315	3.1
203.99997	5.2
210.86461	0.8
262.01538	1.7
303.99469	9.8
304.03030	19.1
309.78830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59725	1.2
59.01383	100.0
66.43314	1.1
72.99306	1.8
76.32782	1.2
80.55005	1.3
81.69563	1.3
83.09316	1.3
92.10828	3.3
111.08174	15.4
125.06001	1.4
125.09673	2.0
127.11318	1.6
137.09703	19.6
139.07678	9.1
141.09241	22.2
153.09225	47.0
155.10796	9.5
183.10239	7.1
205.12978	1.3
211.09818	31.5
217.50620	1.3
221.96977	1.3
230.85519	1.2
246.19841	1.4
296.36081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2332
Annotation	omega-3 Arachidonic Acid
Peak:m/z	Relative Intensity
53.19469	0.6
59.01391	13.2
71.01389	0.9
71.55910	0.7
73.00943	0.6
74.48992	0.7
76.57237	0.6
86.25906	0.7
87.02172	0.6
96.13290	0.7
134.05721	0.7
205.19696	1.6
231.57111	0.7
259.24365	13.7
303.23325	100.0
304.23660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
59.01384	100.0
63.70958	0.4
69.03478	0.4
70.31107	0.5
71.01380	11.0
72.99293	0.5
73.02944	9.7
81.51483	0.4
83.01396	2.0
85.02954	2.5
89.02437	4.8
101.02443	7.3
109.02943	0.5
113.02468	3.3
119.03510	0.7
120.99615	0.7
133.02908	0.6
135.04495	1.5
153.01982	0.5
161.02480	1.0
179.03400	0.6
238.54721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2176
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
51.93318	1.4
53.85766	1.3
59.01382	23.3
71.73161	1.4
79.39289	1.6
133.33916	1.3
164.71992	1.6
165.41676	1.6
203.18083	9.1
218.46512	1.9
257.22775	35.5
274.47122	1.6
301.21762	100.0
317.89307	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94431	0.2
57.03467	2.3
59.01385	6.1
71.01368	2.4
73.02948	4.3
76.44476	0.3
79.05496	0.4
79.95718	0.6
83.01393	0.6
85.02938	0.5
93.03522	0.3
95.05033	0.4
99.04512	100.0
100.04803	0.4
100.17742	0.4
101.02423	0.6
110.41801	0.3
111.04491	0.4
113.02470	0.6
113.06081	1.5
121.02936	0.8
123.04517	2.2
130.26599	0.3
141.05579	0.3
144.04605	0.3
146.06078	0.4
153.05508	0.4
179.07153	2.4
259.02838	0.7
297.14905	0.3
303.05557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1598
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
54.82549	0.7
60.52962	0.5
68.12302	0.6
69.13186	0.6
70.54098	0.5
74.22894	0.5
110.65409	0.5
178.91167	0.6
286.13724	2.2
301.15991	100.0
302.16394	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.82782	1.3
134.99413	6.9
136.97330	2.7
159.08435	1.6
161.06424	11.5
203.05608	4.5
215.05646	1.5
217.07245	100.0
285.13507	37.1
301.16650	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	301.1599
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
53.42543	0.4
61.98843	0.7
93.19018	0.6
137.30174	0.5
183.13893	3.7
217.07356	0.9
218.96162	0.6
271.11298	19.9
286.13669	67.8
287.13904	0.8
301.16025	100.0
302.16360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.145
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
59.01392	2.0
60.20522	1.2
71.01390	5.5
83.05022	1.2
93.28762	1.4
97.02952	5.9
159.04510	1.9
172.05305	16.5
173.06068	1.9
185.06036	2.1
187.07635	5.0
199.03957	1.6
200.04810	59.8
200.08403	6.1
201.05621	3.0
201.09196	8.2
204.32898	1.4
211.07683	2.1
213.05518	3.0
215.07083	1.7
216.07860	2.5
225.09180	1.6
228.07991	12.7
229.08713	100.0
269.92203	1.4
272.10553	10.8
301.14490	52.1
301.19937	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	301.0937
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
50.54362	0.2
53.27205	0.2
53.37219	0.2
64.34313	0.2
73.42829	0.2
74.99135	0.3
77.39001	0.2
92.22530	0.2
93.03442	6.9
96.96014	0.5
98.52450	0.2
103.21320	0.2
119.17896	0.2
121.02944	10.8
123.00881	4.6
124.01650	0.4
138.03217	2.3
139.04012	100.0
140.04321	0.3
165.01842	0.3
175.13861	0.2
177.60945	0.2
255.58698	0.3
301.09232	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1448
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
50.16492	1.0
54.82193	1.0
59.01392	4.6
62.43492	1.1
65.19619	1.0
66.13692	1.1
71.01400	6.0
78.95940	2.8
80.30494	1.1
86.12385	1.2
89.82748	1.1
97.02950	5.4
101.73403	1.0
134.06145	2.6
143.55238	1.2
163.48961	1.2
172.05280	14.2
185.06046	1.9
187.07677	2.0
196.05341	1.6
199.04048	1.9
200.04822	62.5
200.08493	2.9
201.05594	1.6
201.09232	6.3
211.07689	2.0
213.05592	2.3
215.07277	1.6
216.07808	4.0
225.09253	2.3
228.07909	10.5
229.08722	100.0
253.91924	1.2
272.10504	10.6
301.14505	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	99.6
57.48592	0.7
59.01386	70.8
60.71233	0.7
65.05883	0.8
70.51256	0.8
71.01379	3.5
73.50188	0.8
78.95921	0.9
80.27992	1.0
80.56982	0.8
87.00865	1.7
89.02442	2.0
96.96017	7.2
99.04514	100.0
101.02426	19.9
103.04014	4.7
121.05087	9.1
125.02435	15.2
139.03986	4.8
143.03479	4.6
150.03197	1.5
158.99713	1.2
162.05244	0.9
163.06090	7.6
165.05624	1.3
203.09274	4.4
219.94522	1.0
261.56113	0.8
265.09286	61.6
271.91431	1.0
279.68265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1607
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
60.95829	0.3
63.38283	0.3
69.03458	1.7
79.45533	0.3
86.28421	0.3
92.10863	0.6
99.61240	0.3
101.13047	0.3
135.09660	0.3
143.08647	0.4
145.06589	3.2
194.51624	0.4
198.09241	2.1
212.10803	0.7
213.07997	0.3
214.08760	55.7
215.09177	0.7
224.26802	0.3
225.12831	0.5
226.12434	0.8
227.09445	0.5
240.10236	3.4
241.24541	0.3
268.13452	30.3
269.13806	0.4
300.16083	100.0
301.16302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16811	17.9
59.01387	100.0
65.34296	20.6
68.43987	18.3
72.99311	31.0
73.21300	19.2
96.96018	80.3
101.06087	91.8
102.58808	21.1
103.32482	20.0
210.86406	23.9
210.98737	36.5
227.07233	22.7
230.30760	22.7
261.29971	26.5
286.56464	20.0
299.08841	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
59.01396	0.5
59.43930	0.2
64.39680	0.2
64.99743	0.2
66.75880	0.2
71.02373	0.3
72.67921	0.2
75.64350	0.3
81.16497	0.2
86.44871	0.2
88.78618	0.2
104.75080	0.2
105.56990	0.2
115.76980	0.2
145.71487	0.2
216.32457	0.3
217.00333	0.6
299.20203	100.0
300.20551	1.5
300.48114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.82298	0.5
55.01880	0.6
55.88107	0.4
72.99323	1.0
76.87038	0.5
78.90536	0.5
86.48514	0.7
92.10151	0.6
100.90040	0.5
116.92870	2.8
117.87693	0.5
121.27309	0.6
225.22224	0.8
249.22169	1.2
251.23860	6.9
253.25391	83.7
260.15906	0.5
281.24896	2.2
299.25958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91130	0.2
53.74244	0.2
58.48162	0.2
59.01385	1.0
60.46579	0.2
61.98848	1.1
63.02994	0.2
68.01434	0.5
70.57954	0.3
95.05010	0.3
105.68427	0.2
123.03267	15.1
137.04858	1.1
138.05614	100.0
139.05931	0.5
144.04662	0.3
146.06102	0.4
152.07175	0.6
165.04305	0.3
167.05901	0.4
180.06644	1.7
181.02440	0.3
189.39177	0.3
236.07849	0.3
240.02864	0.4
300.10944	4.8
313.13132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48515	0.3
58.67811	0.3
59.01385	2.2
59.19935	0.3
68.01408	3.2
71.01385	0.4
74.41987	0.3
75.77116	0.3
83.97766	0.3
92.65511	0.4
122.02479	1.6
123.03259	8.6
124.07697	0.5
136.07695	0.5
137.04829	0.5
138.05606	100.0
138.90880	0.4
152.07231	1.8
158.33217	0.4
166.08676	0.4
167.05887	2.5
180.06639	4.3
181.12863	0.4
232.09723	0.3
268.76276	0.4
300.10895	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	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
51.27387	0.2
59.01383	6.9
59.01662	0.5
65.96933	0.2
68.56046	0.2
81.03474	0.5
90.35784	0.3
92.10675	0.6
93.03458	1.3
108.02174	0.7
109.02948	1.3
136.01685	3.3
137.02443	100.0
174.99287	2.3
217.00320	5.3
284.42892	0.4
299.07727	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44561	34.7
59.01388	58.4
67.14425	39.8
72.01847	39.5
75.66290	42.0
101.06110	100.0
108.19672	43.8
108.82469	38.4
116.33273	37.7
127.49836	38.1
133.02904	44.2
137.02432	44.0
181.03241	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.63464	1.1
59.01382	92.5
62.31339	1.1
71.01373	30.8
71.59579	1.0
72.99324	1.3
75.00890	1.5
78.58166	1.2
79.78056	1.4
81.03487	1.3
85.02965	5.9
89.02436	30.9
89.21665	1.3
92.10754	1.7
93.03454	22.7
93.15712	1.2
95.01394	1.9
101.02437	14.6
113.02439	12.4
119.03509	8.9
123.04494	2.4
134.03769	1.4
135.03032	1.7
136.01642	8.2
137.02446	100.0
137.03365	5.1
149.02505	1.7
151.04031	5.2
166.01807	1.3
174.99240	2.4
179.03488	28.0
217.00256	7.6
239.05608	12.7
299.07739	55.3
324.22488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
57.03468	1.2
58.00599	2.0
59.01383	100.0
65.08258	1.4
71.01386	35.2
72.99313	2.2
73.02950	1.4
75.00883	1.9
83.01418	1.3
84.22638	1.4
85.02948	10.4
89.02444	37.7
93.03461	24.0
95.01397	5.5
101.02445	17.8
105.01930	5.1
113.02456	14.6
119.03500	10.3
121.02921	2.6
123.04542	5.2
135.03049	1.3
135.04483	1.9
136.01666	8.0
137.02443	93.5
137.03496	3.1
151.03993	5.1
163.04005	1.3
174.99174	2.9
179.03496	32.6
217.00308	11.5
239.05614	13.6
291.94763	1.2
299.07758	55.3
310.62299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.47147	1.2
58.76506	1.2
59.01397	5.4
59.60353	1.2
60.11706	1.5
68.64162	1.3
70.40151	1.3
71.99397	1.7
85.97062	1.5
89.44315	1.6
106.67413	1.7
114.39994	1.4
116.92912	1.8
155.10757	13.5
183.01288	1.6
267.71243	1.7
279.23355	20.5
297.15366	1.7
297.24414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Koparin
Peak:m/z	Relative Intensity
55.45500	0.4
59.01412	2.5
65.00338	0.8
68.99844	0.9
79.24567	0.5
92.10103	0.5
107.01403	0.9
108.02252	0.9
119.05097	0.5
132.02229	0.8
133.03000	0.5
134.03758	1.9
135.00938	2.5
136.01682	1.1
144.19066	0.5
151.00421	0.8
153.01912	1.7
155.05072	0.5
158.03816	0.6
171.04539	0.6
172.05309	1.0
176.01137	0.7
183.04553	2.0
184.05278	0.6
186.03181	0.6
199.04008	8.2
200.04799	9.5
211.04001	6.5
212.04759	3.6
214.02660	0.6
217.00302	1.0
227.03528	31.1
228.04257	3.9
239.03502	8.1
240.04231	0.7
255.02998	10.8
256.03769	14.6
268.44080	0.5
283.02347	0.6
284.03290	100.0
285.03656	0.7
288.02820	0.8
299.05640	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83999	1.1
59.01399	3.2
70.88531	1.3
88.44041	1.2
116.92807	1.9
127.11298	1.5
127.98411	1.2
139.76334	1.3
153.12894	1.5
171.10252	16.7
232.30481	1.5
239.05327	1.3
279.23358	15.7
297.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01406	1.4
60.06115	0.2
62.75894	0.3
63.96786	0.2
79.01895	2.1
79.95356	0.4
79.95773	1.9
87.74188	0.3
119.05024	2.5
149.05997	2.1
154.47940	0.3
170.00456	2.1
171.04536	0.4
183.01231	74.6
184.02101	2.9
193.05107	1.6
197.02826	0.7
212.05119	0.4
216.00980	2.3
225.05931	0.7
233.19099	0.6
239.07437	0.3
250.92142	0.3
253.12381	1.1
257.09070	0.3
269.87872	0.3
272.12384	0.3
297.11526	8.9
297.15314	100.0
298.15567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2643
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
54.90539	6.9
58.35112	6.7
64.61024	8.3
70.17092	7.2
86.47898	8.2
101.40851	8.0
119.05058	16.5
120.87489	8.2
134.61006	8.9
144.04813	8.1
147.93237	9.2
162.66209	8.5
295.26379	100.0
309.98544	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	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95560	0.4
56.60999	0.4
59.01385	5.1
63.51181	0.3
71.01397	1.0
72.99306	5.1
75.00871	44.3
78.25209	0.4
83.05031	3.5
87.00890	1.8
89.02448	7.0
92.10148	0.5
107.05009	0.7
109.02980	0.8
117.01963	3.8
119.05004	3.0
120.05428	0.5
121.05637	0.5
121.07656	0.4
125.26706	0.4
133.02957	2.8
134.03746	1.0
135.03004	100.0
135.04501	14.4
143.31558	0.5
161.02467	4.3
161.78816	0.4
163.04005	1.9
164.04353	0.8
165.04478	1.0
179.03519	7.0
297.13388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22106	0.9
53.28536	0.8
55.01908	1.3
57.03452	38.7
57.03710	1.6
59.01383	100.0
71.01383	24.4
72.99326	1.1
73.02975	1.4
83.01373	1.4
85.02976	5.8
89.02441	23.8
99.04514	43.8
101.02439	20.1
103.00399	4.1
106.41650	0.9
107.31853	1.0
113.02435	7.7
115.00394	5.4
115.04011	1.2
119.03496	7.2
125.02431	11.1
133.05045	4.0
151.06123	21.7
161.04567	15.7
185.36681	1.0
193.07207	6.2
215.07640	1.1
233.10275	1.0
295.10361	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01383	4.2
72.53429	0.6
74.36370	0.5
87.00910	0.9
92.58223	0.7
109.50494	0.8
113.09745	2.7
119.05019	9.6
149.00864	1.1
163.04028	9.0
179.14355	1.0
195.13918	18.7
234.99434	0.7
260.88120	0.7
277.21741	19.3
295.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.96907	1.0
55.20940	1.3
56.08967	1.1
59.01387	5.8
62.53017	1.1
67.47994	1.1
72.16196	1.2
80.14483	1.3
80.49157	1.1
87.00871	1.8
116.92828	1.6
119.05032	19.0
123.84814	1.3
134.04128	1.2
141.12860	11.5
149.00908	2.0
155.14438	5.2
163.04024	20.0
223.46014	1.3
249.22203	13.1
295.22806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
52.42801	0.5
59.01377	7.7
60.29068	0.5
65.96785	0.5
67.87154	0.6
67.88482	0.6
72.99319	3.0
87.00870	12.2
103.00380	3.6
109.77567	0.7
112.98811	2.9
119.05019	100.0
128.85884	0.6
149.00916	24.9
163.04007	96.0
195.09392	0.6
295.04700	1.2
302.46350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.35329	1.6
60.25247	1.9
68.19785	2.3
81.09853	2.2
85.45637	1.9
92.10903	4.2
96.96015	3.6
131.87558	2.3
197.81752	2.2
220.14771	15.2
221.15468	25.2
236.10591	8.9
293.17960	3.5
293.24857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
53.19550	0.4
53.68554	0.5
57.29805	0.5
59.01389	8.2
72.99316	2.7
73.46352	0.5
76.04643	0.5
87.00868	13.0
92.64054	0.6
93.03450	0.7
103.00333	2.6
109.20669	0.6
112.98822	6.0
119.05023	90.6
137.19682	0.6
149.00926	14.7
154.68378	0.5
163.04018	100.0
176.85913	0.5
227.54060	0.7
227.69633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
59.01388	7.1
84.99311	0.9
85.91589	0.6
86.71284	0.6
87.00865	7.9
93.03495	1.3
95.39092	0.6
99.96885	0.5
103.00374	1.4
112.98814	5.7
119.05022	87.6
149.00964	1.3
163.04012	100.0
163.86369	0.6
164.04381	0.7
231.33801	0.6
287.40390	0.6
295.04428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96237	1.1
54.20875	1.1
57.03452	6.8
59.01385	1.7
62.65810	1.1
66.52840	1.3
68.99593	2.2
73.83086	1.4
82.56544	1.4
94.03734	1.4
113.09727	26.2
139.11244	2.0
176.46930	1.3
179.10867	1.4
187.05115	1.4
195.13934	5.6
207.81569	2.0
220.14757	1.9
221.15506	7.8
236.10527	2.6
275.20285	1.6
293.17859	3.5
293.21268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74301	0.6
72.99334	0.8
79.95750	1.6
92.10847	0.9
96.96004	100.0
106.76698	0.7
139.11333	1.4
189.07430	1.0
191.18069	3.6
193.15875	0.9
206.20917	0.8
220.14847	2.3
221.15489	4.2
236.10547	1.0
247.20757	1.6
293.17960	60.5
293.21295	58.7
293.24722	1.4
294.18289	1.1
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
51.41031	0.4
51.41281	0.4
56.68273	0.4
57.03449	1.0
57.71904	0.5
59.01393	0.8
59.34980	0.4
79.95753	0.8
96.96005	20.7
97.06561	1.1
113.09782	0.5
114.38586	0.5
123.08244	0.5
125.09746	3.7
135.55803	0.4
140.19701	0.5
141.12825	1.0
149.09711	2.0
160.36122	0.5
179.37906	0.5
183.13846	1.0
185.11812	11.0
192.11673	0.6
195.13824	0.7
197.11905	4.0
198.39830	0.5
217.59215	0.5
220.14670	0.8
221.15416	3.3
236.10464	0.8
238.73120	0.5
275.20258	0.9
280.10684	0.6
293.17963	14.9
293.21216	100.0
294.21506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	1.1
89.89837	0.9
93.69913	1.0
94.46834	1.0
99.11095	1.0
111.08141	1.1
141.66328	1.0
174.13612	1.0
195.13914	15.3
205.12401	1.4
223.13445	9.3
242.27603	0.9
256.13190	5.7
275.20288	7.6
293.21277	100.0
310.83478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82648	1.2
59.01392	4.8
66.16087	1.2
66.84835	1.0
93.39344	1.5
103.08746	1.5
109.66605	1.3
121.10248	29.7
126.68774	1.5
171.10278	55.7
183.13919	7.2
211.13530	1.8
231.21117	6.7
249.64061	1.4
268.56186	1.5
275.20206	100.0
293.21280	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11717	0.2
68.99564	0.3
76.14945	0.3
79.95737	2.7
82.87090	0.3
92.56831	0.3
95.95197	1.0
96.96004	100.0
100.47031	0.2
103.72028	0.2
106.50785	0.3
173.31555	0.3
192.11603	0.5
193.45859	0.3
199.17047	0.6
220.14674	0.5
221.15509	1.7
236.10556	1.2
293.17953	65.9
294.18210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92395	1.4
57.36383	1.8
66.45576	1.5
67.07626	1.7
68.99553	3.2
72.31532	1.5
92.66061	2.1
96.96017	4.2
126.72365	1.6
145.10577	100.0
148.05325	2.6
149.06075	15.7
165.73473	1.6
180.04192	2.8
220.14664	8.8
221.15433	14.8
236.10635	2.7
293.15656	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35752	0.2
58.57606	0.2
64.34307	0.2
71.01379	4.6
92.65228	0.3
107.09633	0.2
124.73327	0.3
140.91594	0.2
148.05284	2.4
164.08401	1.2
177.09206	7.6
192.11572	8.4
193.12210	0.3
205.12352	10.5
207.13814	0.6
217.08681	0.5
218.09525	2.1
220.14705	56.5
221.15482	100.0
222.15665	0.5
235.13371	0.6
236.10553	52.2
237.11243	1.0
293.17612	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
56.38233	0.9
57.35387	0.8
58.00594	2.0
59.01385	74.5
65.79224	0.9
71.01386	29.9
72.99353	1.2
73.02957	1.1
83.01406	2.5
85.02976	7.2
85.06596	5.2
87.00894	1.3
87.08228	1.4
89.02453	29.0
95.01419	1.4
95.42555	0.9
101.02447	21.3
113.02467	12.5
113.06111	5.5
119.03487	11.6
131.07141	18.7
187.40089	1.1
206.55777	1.3
285.73438	1.1
293.12463	100.0
310.41068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50994	0.8
52.32207	0.8
55.01888	1.5
57.03467	0.9
58.00616	1.1
59.01391	85.1
60.01740	0.9
71.01391	29.2
72.99317	2.2
73.02966	1.1
83.01411	4.4
85.02963	8.9
85.06584	6.8
87.54411	0.9
89.02447	27.5
95.01404	2.2
99.00909	1.6
101.02439	18.5
111.55640	0.9
113.02456	9.2
113.06086	7.3
119.03500	9.0
131.07146	21.3
158.34425	1.1
235.72423	0.9
240.87871	1.0
262.73166	0.9
293.12463	100.0
294.12814	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	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.4
57.82911	0.5
58.52825	0.4
66.84592	0.4
72.99313	14.7
73.02951	2.3
74.02390	0.5
80.41630	0.4
85.02960	46.0
90.63503	0.5
94.76421	0.5
101.02461	4.8
103.04011	2.8
119.04140	1.1
119.05022	65.2
129.01933	19.0
147.03006	100.0
151.13881	0.6
163.04019	37.8
183.88504	0.5
238.51758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84440	0.6
59.01382	0.7
68.50056	0.6
85.02950	17.0
87.60265	0.6
91.38191	0.6
92.10168	1.2
93.03463	0.7
102.34676	0.6
111.00910	0.6
116.66566	0.6
119.05027	95.8
129.01973	1.6
133.02956	0.8
163.04016	100.0
183.63686	0.7
196.33487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.69075	0.5
54.82940	0.5
55.05684	0.4
58.02980	0.5
61.75120	0.5
64.34708	0.5
92.32965	0.5
92.66100	0.5
94.71834	0.5
95.29865	0.5
96.99599	0.4
132.69794	0.5
155.56712	0.5
156.13945	100.0
200.12949	4.8
221.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.0
63.31316	0.5
71.05724	0.5
79.95748	0.4
98.44247	0.4
106.55578	0.5
156.13948	100.0
200.12927	3.4
206.54039	0.5
213.08394	0.5
221.15469	0.6
243.42078	0.5
260.45642	0.6
292.11450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.8
67.04724	1.4
76.76473	1.4
109.08321	1.5
109.34423	1.4
119.72386	1.5
125.09711	8.6
127.11268	2.5
151.11313	2.3
153.12875	2.9
220.35899	1.9
229.19582	3.3
247.20674	9.0
257.37122	2.0
263.20145	23.6
273.18643	22.0
291.19705	100.0
294.20493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75930	0.7
57.03454	15.2
57.38892	0.8
59.01396	7.2
82.45092	0.9
83.05036	1.1
84.82390	1.1
86.37454	1.0
101.23721	1.1
101.52918	1.0
109.06654	1.2
121.02967	1.5
125.09712	10.5
151.11301	4.5
163.11267	3.9
165.09192	1.2
181.12280	1.9
247.20671	6.1
291.19699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.37577	2.0
59.01394	5.1
59.34178	2.1
60.14747	2.1
60.39618	2.1
61.39589	2.2
61.98841	2.5
65.54202	2.2
71.01385	2.5
71.33216	2.4
85.91360	2.4
97.06586	100.0
99.98605	2.5
116.92873	2.8
121.03004	2.4
123.21851	2.3
146.57780	2.4
183.13788	3.3
193.12367	32.6
194.13142	2.9
211.13443	65.6
263.19922	3.0
291.19672	98.0
292.19943	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
71.01387	0.5
73.33388	0.6
80.76075	0.5
83.05038	1.0
93.07085	0.8
97.06585	1.4
101.37492	0.5
111.08165	1.1
113.09728	0.6
117.30251	0.5
121.10227	21.4
123.08160	1.2
125.09721	8.7
128.55846	0.7
139.11258	0.7
141.12860	1.0
147.08113	0.8
163.11263	0.7
165.12833	2.3
171.10327	0.7
185.11827	14.1
194.09505	0.6
197.11819	3.2
209.11803	0.8
211.13408	1.0
223.13370	1.0
245.18965	0.8
247.20718	4.2
273.18591	8.3
289.18256	0.7
291.19687	100.0
292.20081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63385	0.4
54.79317	0.3
57.03455	0.6
59.01389	0.8
59.85954	0.3
60.36524	0.3
69.03461	0.4
70.15289	0.4
75.50092	0.4
79.05522	0.6
88.20538	0.4
93.03432	0.4
111.08150	0.6
120.01028	0.4
120.38892	0.4
123.08183	0.6
125.09696	0.8
141.09232	0.4
142.86760	0.4
145.47719	0.4
163.11288	0.7
165.12831	5.7
181.12415	0.5
183.13954	0.4
191.10791	0.5
217.16045	0.8
247.20697	2.1
273.18625	5.1
291.19699	100.0
292.20151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.00188	0.4
59.01392	1.0
59.04203	0.4
73.02943	73.5
79.82532	0.4
91.48566	0.4
92.10786	1.5
115.55870	0.5
121.02949	0.7
137.67372	0.5
291.19705	100.0
292.19794	0.7
305.85529	0.6
313.72452	0.5
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	12-OPDA
Peak:m/z	Relative Intensity
58.05225	1.3
59.34084	1.2
73.91107	1.3
92.10145	2.0
94.65564	1.5
96.51828	1.6
139.96062	1.5
142.03265	1.5
150.10559	1.8
151.79456	1.5
165.12856	30.8
247.20615	11.1
273.18640	6.4
281.52890	1.7
291.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	9.8
56.80027	1.8
59.01383	100.0
68.99820	3.3
71.01385	18.0
72.99306	2.5
75.62454	2.2
80.65484	2.3
81.05602	2.0
83.01377	21.8
85.02973	4.0
86.00108	16.3
87.00908	2.9
89.02456	9.3
92.28484	2.3
97.02965	14.9
99.00876	74.2
101.02446	19.7
113.02466	5.5
114.03296	2.0
115.04030	11.7
119.03471	19.3
128.74936	2.1
129.43230	2.1
143.03459	3.2
217.36983	2.1
291.10904	9.9
313.73410	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	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01887	5.4
55.42905	1.0
57.03464	1.4
58.00602	2.0
59.01386	100.0
66.02004	1.1
67.05538	18.6
70.04136	1.3
71.01384	54.3
71.17445	1.3
71.43170	1.2
71.77298	1.1
72.99323	3.0
73.02956	2.4
75.30817	1.5
77.04976	1.6
83.01417	3.0
84.35313	1.2
85.02953	16.1
89.02444	47.4
91.16532	1.2
95.01377	3.2
96.96021	2.5
96.97000	1.3
101.02442	23.5
111.04516	6.3
113.02457	14.1
119.03492	18.9
129.05560	7.1
135.99480	1.4
161.04607	2.7
179.05615	2.1
180.69168	1.6
204.99268	1.5
210.18665	1.7
239.06517	1.7
247.11821	1.9
291.10886	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	12.5
57.03472	4.0
57.58323	2.5
59.01384	100.0
69.03480	5.2
71.01373	32.4
73.02959	3.6
74.01367	2.0
78.08459	2.3
81.03452	18.9
83.01414	10.8
83.05044	4.5
83.09871	2.1
84.02168	3.6
85.02944	85.7
89.02412	19.1
95.01398	3.7
97.02961	5.5
99.00873	3.6
99.04502	26.9
101.02454	32.0
109.02943	2.6
111.00885	27.4
113.02474	14.1
119.03489	4.8
127.04054	16.5
129.01944	61.1
139.04051	4.6
165.00166	2.9
291.07162	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	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	12.2
57.03458	7.8
58.00614	1.8
58.84061	2.0
59.01388	100.0
69.03458	4.1
71.01385	32.1
71.05032	4.5
72.99301	3.0
73.02962	4.3
78.95912	57.0
81.03453	25.0
83.01407	9.9
83.05042	10.1
84.02165	4.0
85.02454	3.3
85.02959	84.9
87.00874	4.6
89.02453	19.4
95.01407	2.7
96.96439	2.2
96.96945	18.7
97.02953	7.6
99.00870	4.5
99.04523	26.0
101.02458	32.2
109.02958	3.0
110.98534	39.9
111.00883	25.6
111.04579	2.0
113.02448	17.8
119.03500	3.2
123.04424	2.2
127.04044	21.5
129.01938	59.0
291.07352	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	290.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01856	0.7
51.75299	0.6
54.60061	0.7
59.01388	1.1
61.98834	100.0
68.82931	0.8
72.13425	0.7
85.02941	0.9
165.44943	0.8
166.64474	0.8
223.03870	0.9
283.13214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.69100	0.3
56.49552	0.4
58.47263	0.4
79.02525	0.4
84.44673	0.4
87.92393	0.4
92.36497	0.4
96.99091	0.4
121.97627	0.4
128.54140	0.5
164.31744	0.5
229.15993	5.5
233.55191	0.5
241.49619	0.5
257.15451	10.5
289.18121	100.0
290.18439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1085
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
59.01378	3.6
86.72345	2.3
89.36936	2.1
107.04993	2.4
109.02968	13.2
115.95919	2.7
122.03789	3.7
135.04544	4.4
142.57382	2.1
159.04500	5.2
172.05301	26.2
173.06102	3.1
174.06906	2.2
185.06102	9.8
187.04002	11.3
187.07681	10.2
197.06190	16.5
198.06883	9.1
199.04022	3.2
199.07626	2.4
200.04910	8.2
201.05608	3.2
201.07965	1.8
201.09311	28.9
211.07690	3.0
213.09241	37.5
215.07184	5.4
217.05051	9.8
229.08675	13.5
230.09523	14.1
245.08231	2.7
245.11932	4.8
289.10895	100.0
299.55408	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	289.1811
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
59.01386	13.2
88.92434	3.6
95.05058	5.6
105.89246	3.4
110.02396	3.1
145.06577	3.6
154.85229	3.1
155.79724	3.5
156.06323	3.4
163.11307	53.5
165.12895	4.3
189.12949	3.8
191.14447	59.9
203.43198	3.2
217.15933	16.8
245.19104	50.5
271.17053	7.9
289.18100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27180	1.7
54.25489	1.8
55.01895	13.0
58.00612	9.3
59.01383	100.0
68.99841	11.2
69.03471	13.7
70.84422	2.6
71.01392	16.5
72.99311	5.3
83.01384	18.0
85.02990	2.5
86.00104	19.6
87.00885	14.7
89.02462	14.9
92.10367	7.8
92.64991	2.2
95.01373	31.6
96.96006	22.7
97.02959	16.7
99.00873	81.8
101.02446	24.0
101.12267	2.2
111.00935	3.4
111.04533	3.0
113.02461	32.3
113.99599	2.4
114.52641	2.3
115.04011	14.1
119.03500	31.8
125.02457	2.4
135.30965	2.2
137.02463	12.5
139.07608	2.6
140.37146	2.2
143.03528	4.3
155.03560	5.5
160.58841	2.7
163.15732	2.5
191.05673	2.5
225.99124	2.6
249.79092	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	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52976	0.3
50.77602	0.3
57.03460	2.4
60.21694	0.3
60.44997	0.3
65.00319	2.8
67.01888	0.9
68.99824	2.5
69.03471	0.5
76.65501	0.3
81.03476	0.9
83.01385	17.8
85.02943	0.5
93.03468	0.6
107.01391	5.6
107.05032	0.7
108.02128	0.6
109.02955	8.5
111.00872	0.8
115.22682	0.5
117.03476	2.5
120.02157	1.0
121.02978	0.8
123.04551	0.7
124.57823	0.4
125.02448	7.9
133.02892	0.6
135.04539	2.6
137.02440	8.7
149.02463	0.7
151.00378	27.5
153.01947	100.0
153.79344	0.4
157.06587	1.0
163.00444	0.8
164.01166	15.4
165.01860	1.7
185.06020	3.1
208.05508	0.4
209.06090	1.0
211.04056	0.7
225.05542	0.9
253.05042	8.0
271.06165	2.2
289.07220	17.7
289.10068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71273	0.4
57.03450	2.8
65.00321	3.6
67.01892	0.7
68.99814	3.0
69.03462	0.4
75.57510	0.4
81.03431	0.5
83.01384	20.0
85.02927	0.5
93.03429	0.6
107.01391	6.1
107.04992	0.4
108.02194	0.4
109.02948	7.7
111.00893	1.9
117.03475	2.2
120.02168	1.0
121.02940	1.0
123.24960	0.4
125.02454	7.8
128.35748	0.5
129.23044	0.4
135.04515	1.8
137.02446	6.8
151.00381	25.3
153.01941	100.0
157.06587	0.6
163.00356	0.5
164.01146	13.1
165.01900	2.3
185.06059	2.2
200.72316	0.5
203.07268	0.5
208.05235	0.4
209.06088	0.6
211.04007	0.7
225.05653	0.6
253.05083	7.7
271.06091	2.0
289.07202	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	289.072
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03453	10.5
59.01393	1.0
59.68446	0.6
68.44682	0.6
68.99803	0.9
69.03461	2.9
80.02688	1.3
81.03459	11.9
83.01383	9.0
84.53734	0.6
92.10035	0.7
93.03471	4.7
95.01385	1.5
95.05019	14.2
97.02937	20.8
99.04488	1.1
108.02158	4.7
109.02944	83.3
111.04516	1.0
117.03487	1.4
121.02957	10.7
122.03712	7.0
123.04507	63.7
124.01673	0.8
125.02431	41.0
131.05019	0.7
135.04523	6.2
137.02432	29.1
138.03206	3.0
139.04002	12.6
143.05067	0.9
145.02956	4.8
146.03722	3.5
147.04559	1.1
149.02417	12.8
150.03259	4.2
151.03993	28.0
157.06549	1.2
159.04503	11.5
160.05299	5.5
161.02437	3.6
161.06090	12.7
162.03246	6.6
163.04012	4.0
164.01157	11.3
165.01950	8.0
166.02792	0.9
167.03490	5.1
168.63087	0.6
173.06078	3.3
174.03169	0.7
174.06712	0.7
175.03992	5.1
175.07628	6.7
177.05501	1.5
179.03523	12.2
185.06140	2.8
187.03979	12.7
188.04803	8.2
192.83524	0.8
201.05589	2.8
202.06345	6.5
203.07156	30.8
205.05092	15.3
211.09911	0.7
212.04886	1.0
219.31230	0.7
221.08195	10.6
227.07126	4.7
230.05701	1.2
245.08189	43.2
247.06075	1.7
263.44861	0.8
271.06058	2.9
289.07196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72497	0.1
55.01880	0.3
57.03455	1.0
59.01390	2.9
59.01665	0.3
67.01889	0.4
69.03460	0.2
69.15641	0.2
71.01390	2.3
72.99325	0.3
73.02968	0.3
75.00883	0.2
78.95905	4.4
80.51055	0.2
81.03462	0.2
83.01383	0.3
83.05031	0.3
85.02950	12.5
87.00876	7.6
89.02457	0.8
92.10120	0.4
92.88232	0.2
93.03446	3.9
96.96022	2.9
96.96956	6.7
97.93414	0.2
99.00910	0.3
101.02430	1.7
103.65316	0.2
109.02950	1.0
111.00872	0.4
111.04527	1.7
127.03973	2.8
129.01981	1.1
129.05638	0.2
137.02448	0.2
147.02988	0.5
155.03482	0.3
168.91167	0.2
171.03011	1.0
173.00870	0.2
173.04559	1.7
173.05885	0.2
178.75975	0.2
191.05624	100.0
192.05902	0.4
289.03418	0.4
290.88123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07853	0.4
54.23472	0.4
54.24131	0.4
57.03454	0.4
59.01388	1.8
70.57442	0.3
71.01385	0.7
78.95900	11.5
78.96369	0.4
83.01387	0.4
85.02950	11.7
87.00875	4.2
92.92799	3.8
93.03456	2.8
94.92511	6.3
96.96948	13.4
108.90210	0.9
109.02950	0.6
109.79557	0.4
110.98544	0.9
111.00871	0.4
111.04527	0.8
127.04006	2.4
135.77827	0.4
136.91742	0.8
154.91605	0.9
154.92816	1.6
168.94427	0.6
173.04559	1.5
191.05624	100.0
199.00163	0.5
205.52046	0.4
251.60263	0.5
289.03250	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	287.1655
Annotation	Hynapene B
Peak:m/z	Relative Intensity
56.40036	5.5
56.45602	6.0
59.01390	11.1
61.19656	5.8
91.00778	6.2
97.36224	5.9
188.78862	7.3
189.12930	14.2
192.35071	7.6
207.05142	6.1
241.21677	26.6
243.17506	43.5
279.86411	7.2
287.16565	100.0
287.22153	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02610	1.1
53.05406	1.2
57.01486	1.1
59.01381	1.7
61.98839	16.5
71.08952	1.2
91.61249	1.2
102.04771	2.9
115.05563	2.4
117.07095	100.0
125.09713	8.4
287.16537	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	288.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98830	100.0
74.41960	0.3
77.80280	0.3
78.71188	0.3
87.81057	0.3
95.01321	0.2
99.00596	0.3
119.05061	0.3
153.01967	0.4
165.09276	0.3
210.13129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.84232	1.5
57.03454	20.9
59.01389	9.3
63.02419	10.3
65.00325	15.8
72.77412	1.7
75.51840	1.6
79.10385	1.9
80.70586	1.7
81.03455	4.0
83.01398	19.3
93.03458	3.6
93.70403	1.8
97.02962	2.4
99.27536	2.0
107.01390	18.5
109.02968	22.9
109.39228	1.8
113.06102	3.9
117.03455	2.1
123.04529	3.4
124.01640	4.3
125.01505	3.3
125.02438	100.0
133.02951	11.9
134.03729	3.1
135.04524	83.3
137.02411	2.4
149.06049	2.3
151.00375	41.5
152.01207	16.7
153.01945	12.5
161.02406	15.7
172.05223	2.8
173.06113	3.4
177.05611	16.0
178.99820	4.0
179.03497	3.7
195.03024	4.5
197.05893	2.2
201.05562	9.1
208.03757	3.3
213.05632	2.9
215.07222	7.2
227.12860	7.4
238.04787	4.4
243.06673	11.5
255.05260	2.8
259.06131	59.1
269.04572	2.9
287.05646	42.9
304.68958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01394	11.4
59.23310	1.8
60.93677	1.8
61.98833	2.0
78.95947	2.2
85.30651	2.4
137.86041	2.3
142.95915	2.5
184.72554	2.7
203.02353	2.4
221.48488	2.1
223.20697	84.4
267.17001	3.5
267.19687	45.5
285.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.82965	0.4
55.67765	0.3
57.60875	0.3
59.01388	0.8
61.98850	0.7
70.02994	1.6
74.06121	1.8
75.73030	0.4
83.42517	0.3
88.04021	0.4
92.33287	0.3
107.20016	0.4
113.03267	0.4
116.24948	0.4
118.05091	0.4
143.05295	0.3
144.65781	0.4
154.08733	0.4
169.17186	0.4
240.23383	3.8
242.21321	2.7
265.62711	0.4
268.22809	0.8
284.15143	0.4
286.23901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24879	0.7
52.91075	0.7
53.24331	0.8
58.30247	0.8
59.01386	16.9
89.02456	1.7
105.01991	1.4
119.05025	89.6
120.99650	100.0
144.76662	1.0
150.67847	0.9
163.04050	7.4
225.16017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02416	2.3
63.62438	0.4
65.00324	5.2
65.00582	0.3
66.69294	0.4
77.06457	0.4
83.01395	3.2
88.63543	0.4
95.01423	0.8
105.03471	0.9
106.99571	0.4
107.01398	7.6
109.02993	0.6
117.03501	0.5
119.05022	0.6
121.02998	0.5
125.02478	0.5
131.31261	0.4
131.51169	0.4
132.02138	0.8
133.02962	24.8
135.04539	6.0
143.05049	1.8
145.02948	0.6
147.04533	0.9
149.02455	2.9
151.00392	9.9
151.04031	0.8
156.02122	0.4
157.02963	0.6
157.06546	0.6
167.05029	0.7
169.06590	0.4
171.04521	1.7
173.02573	0.6
174.03241	0.6
175.04042	3.6
176.01097	0.5
177.01898	1.0
185.06065	2.4
187.03899	0.6
189.05659	1.7
195.04509	1.8
197.06082	0.7
198.03246	0.9
199.04042	4.7
201.01981	0.9
211.04068	2.0
212.04781	0.5
213.05652	1.8
214.02731	0.6
215.03551	0.8
217.05115	0.6
227.03610	0.6
229.05045	2.3
239.03500	0.9
240.04306	0.5
241.05092	2.5
243.03038	0.7
257.04715	3.3
268.03677	0.7
285.04080	100.0
286.04425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.17532	0.3
58.35554	0.4
59.01165	0.3
59.01392	4.2
61.98845	0.4
70.06465	0.4
92.08524	0.4
104.49708	0.4
107.05034	95.3
118.43976	0.4
155.53331	0.5
163.11298	100.0
183.01518	0.4
201.02556	1.8
283.17068	65.3
283.22937	3.6
283.26468	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86458	9.5
58.01521	10.3
59.01389	26.1
66.31357	10.3
104.81698	13.1
109.73687	11.5
114.49277	10.9
119.05042	17.1
121.02975	100.0
163.04097	14.1
179.36107	11.4
245.47682	15.5
283.26276	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19626	0.2
57.03473	0.4
59.01393	100.0
61.33801	0.3
61.65345	0.3
62.85744	0.3
67.28305	0.3
71.01340	0.3
75.66106	0.3
85.83292	0.3
86.74596	0.3
92.10774	0.4
121.06622	0.6
165.09193	1.6
283.11948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17909	0.4
58.83435	0.4
59.01382	100.0
70.56293	0.4
92.10786	0.6
101.02457	0.5
112.92321	0.7
118.11663	0.5
123.96285	0.5
133.03642	0.5
139.94186	0.6
157.03546	5.2
159.01511	5.9
200.19145	0.5
201.02571	67.9
221.22098	0.5
283.26428	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	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.8
76.60303	1.3
86.41185	1.5
87.00874	97.2
95.42836	1.4
96.96032	1.7
99.96989	1.7
108.02206	2.3
119.05030	5.9
121.02976	2.4
121.06621	7.7
123.04533	7.0
125.14194	1.4
130.61046	1.4
135.04552	16.7
136.05278	16.8
151.03995	2.8
151.07620	8.0
195.06653	100.0
221.08281	3.8
268.07205	2.1
283.08264	23.1
283.26385	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
65.36329	0.2
71.01405	0.3
72.99313	0.6
73.02967	0.6
75.00884	1.8
80.72279	0.3
86.82897	0.4
87.00881	0.4
91.02011	0.3
93.82442	0.3
113.02528	0.4
117.14603	0.3
119.03497	10.3
119.05019	1.4
121.02937	2.1
129.45599	0.3
133.02979	3.8
134.03740	71.8
135.02989	1.2
137.02440	11.5
139.04013	3.7
147.04518	0.4
149.04890	0.8
149.06087	21.7
150.03236	0.8
161.02472	3.3
178.02722	49.6
193.05072	100.0
260.34274	0.5
281.06708	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94792	0.3
58.19390	0.3
59.01381	1.6
59.25284	0.3
61.06805	0.4
75.00883	0.3
79.11192	0.3
79.21812	0.3
87.00884	0.7
87.94239	0.4
93.03470	0.5
119.05026	0.9
121.02956	1.9
133.02957	2.5
134.03738	76.7
135.02980	0.4
137.02438	11.8
139.04012	3.4
149.02458	0.4
149.04877	0.7
149.06088	21.3
150.03206	0.9
178.02722	52.7
193.05067	100.0
227.65576	0.4
272.88342	0.4
281.06702	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31792	0.6
59.01384	9.8
60.36518	0.7
71.01389	3.7
72.99328	3.5
73.02617	0.8
73.02945	6.5
75.00871	21.8
87.00874	12.5
89.02435	4.0
90.86232	0.7
93.03428	0.7
101.02415	0.8
105.01839	0.8
114.98310	0.8
117.01927	16.3
117.03406	0.9
119.05024	87.3
133.02937	3.7
135.02992	43.7
135.04471	6.4
145.02934	1.3
149.06070	2.9
161.02431	7.9
163.04010	100.0
177.05542	3.2
179.03494	3.1
188.98709	0.8
221.04449	2.8
248.86172	0.9
281.06693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35765	1.8
51.23629	1.7
52.99403	1.8
53.01829	1.8
57.30162	1.8
59.01390	8.9
64.94839	1.6
67.21028	2.2
72.40690	1.9
92.10203	2.9
135.57191	1.9
140.05080	15.5
176.02734	100.0
192.02202	11.2
220.01802	26.9
238.02803	43.7
249.09212	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	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29855	0.7
55.71207	0.9
59.01382	3.6
59.66095	0.7
65.62727	0.7
66.07416	0.7
89.13081	0.7
90.06284	0.7
102.32745	0.7
111.13879	0.9
153.36122	0.9
279.23306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57219	0.7
64.65874	0.8
64.87496	0.7
81.79028	0.8
81.89638	0.7
104.02658	0.8
120.65337	0.8
127.83048	0.8
134.89507	1.4
198.84975	0.9
243.79077	0.9
254.31276	1.1
279.23322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
65.10509	1.1
71.19369	1.0
279.23312	100.0
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
64.55898	0.6
66.06185	0.6
71.01375	26.1
72.99311	5.2
87.00900	2.3
89.02473	3.1
99.88673	0.6
115.00372	61.7
116.70650	0.6
119.05019	62.1
133.01428	100.0
147.04631	2.0
163.04010	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.2
55.83754	1.0
57.03453	10.1
57.47979	1.0
58.00581	1.1
59.01384	100.0
68.99837	1.7
69.03439	1.2
71.01378	36.9
72.99296	1.3
73.69838	1.2
83.01399	7.1
85.02941	9.5
86.00109	3.0
89.02440	31.0
95.01396	2.1
99.00870	15.7
99.04543	6.2
101.02440	20.0
113.02464	10.8
115.04005	2.1
117.05558	1.5
119.03487	15.6
135.06677	1.5
137.13742	1.2
143.03540	1.4
147.84105	1.2
279.10864	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03456	83.7
59.01386	100.0
59.73231	1.4
60.65030	1.5
62.73626	1.6
68.52520	1.7
70.21322	1.5
71.01384	14.6
81.12537	1.9
83.01392	1.6
83.17757	1.7
85.02967	4.1
87.08540	1.7
89.02450	15.1
99.00928	2.0
99.04523	70.6
101.02438	23.4
113.02451	3.4
117.05633	2.8
119.03504	8.3
125.02449	15.0
135.06659	12.0
139.63831	1.8
143.03513	2.6
161.04555	2.4
177.07651	2.3
182.49947	1.7
255.26729	1.8
279.10919	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43092	0.9
58.27484	0.8
59.01391	100.0
60.80732	0.8
64.85227	0.8
67.44483	0.7
70.81055	0.9
156.56311	0.9
178.44582	1.1
194.92780	1.2
205.15952	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	277.1663
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.82401	1.9
59.01393	15.8
76.81770	1.7
80.17964	1.8
100.56157	2.2
114.39574	3.0
121.03150	2.2
134.89496	4.0
147.08484	2.5
153.19057	2.6
165.00401	15.4
166.65320	2.1
191.05698	19.3
205.15959	2.7
233.10379	100.0
277.16376	61.0
284.12341	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
63.03060	1.8
72.69380	1.5
77.13324	1.8
86.29401	1.5
92.10793	6.5
123.95857	1.6
180.92157	1.9
277.21741	100.0
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
54.47453	0.4
55.76192	0.4
56.03661	0.4
56.67538	0.3
59.08985	0.4
59.17876	0.4
71.01380	22.8
93.03452	1.6
96.29032	0.4
97.36452	0.5
100.79100	0.4
115.00391	6.4
115.91826	0.5
119.05028	96.5
131.35129	0.4
163.04013	100.0
164.04390	0.5
176.01125	1.7
191.03590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65595	0.2
58.32840	0.2
59.01385	0.6
62.89230	0.2
63.57988	0.2
65.68979	0.2
71.01378	0.5
78.61906	0.2
78.95902	50.2
92.10107	0.7
96.96954	100.0
107.22433	0.2
129.71172	0.3
140.65106	0.3
142.99864	1.7
176.23241	0.3
179.56451	0.3
202.08502	0.3
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
51.35504	2.5
53.03989	2.6
55.01889	16.9
57.03460	13.1
59.01383	93.1
71.01379	100.0
71.05025	11.1
73.02946	34.7
75.57129	3.0
83.01412	16.9
85.02946	55.3
85.96526	2.9
88.84624	3.7
89.02455	26.2
95.01390	12.3
96.96014	3.8
96.96952	5.0
97.02961	3.6
99.00873	5.3
101.02435	60.5
110.72594	3.0
113.02447	31.6
115.04012	66.3
121.05905	3.1
125.86720	3.4
161.04524	20.3
233.10326	4.0
277.09351	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	277.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
76.77361	2.0
78.95895	17.3
87.04563	2.5
92.10822	4.1
96.95995	21.4
96.96938	16.6
102.52793	2.4
115.03989	5.1
120.99667	2.5
135.05701	3.2
136.94040	3.6
145.42659	2.1
152.91724	12.4
172.05190	9.0
190.06204	14.8
194.92842	13.7
201.04222	2.8
212.93759	3.4
215.05757	29.2
218.04405	2.8
233.06761	17.9
234.08859	3.5
277.09439	100.0
277.12442	3.3
278.10254	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	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
50.18340	0.6
51.31456	0.5
66.61101	0.6
78.00341	0.6
82.32751	0.6
117.03514	1.0
134.03738	2.9
135.04509	2.3
146.03708	1.0
151.07742	0.8
157.36307	0.7
158.03770	3.5
159.04541	7.7
159.08167	0.9
162.03320	1.5
172.05322	14.2
173.06062	11.8
182.99226	0.8
187.04083	7.5
187.07654	100.0
201.05630	12.0
202.06377	20.2
204.04268	3.9
213.09282	1.6
216.07782	0.7
219.24704	0.7
224.31073	0.7
231.10284	17.3
271.99286	0.7
275.09274	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	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98911	0.4
59.01382	6.6
63.68554	0.4
66.61073	0.5
78.95896	100.0
79.26124	0.6
95.95219	1.2
96.95993	41.7
96.96950	36.6
102.44608	0.5
118.94202	33.7
122.81102	0.5
134.91557	2.3
134.96072	2.5
136.94006	26.8
136.95096	3.1
151.92673	0.6
152.91745	1.2
178.94882	16.4
178.96303	1.9
178.97607	1.0
179.01138	0.7
194.92764	3.1
196.92587	1.0
196.97096	0.7
198.90553	63.8
214.93675	11.9
216.90610	98.4
223.68120	0.7
234.91696	24.1
238.70580	0.5
240.91626	16.7
258.92645	30.3
276.84705	16.4
276.92911	0.6
276.98834	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	276.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
69.22864	0.2
70.80091	0.2
71.01384	0.9
78.95908	8.8
79.95750	1.4
87.00879	0.4
96.96011	100.0
96.96923	14.2
111.01442	0.2
112.94476	0.2
115.92052	0.3
117.39389	0.2
133.03015	0.2
142.99879	3.3
224.89850	0.2
240.97505	0.2
276.98749	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	275.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72034	0.5
59.01382	0.6
64.00664	0.5
68.01395	0.5
68.40642	0.5
69.00923	0.4
104.01877	0.5
116.92853	0.7
120.04540	1.0
123.00744	2.3
134.06148	0.8
135.05719	0.7
147.03214	0.5
162.05621	5.2
162.06792	0.8
176.03409	4.3
177.06705	1.1
189.04211	1.0
189.06664	0.8
191.02116	0.9
192.95779	0.7
203.05769	0.8
204.07823	4.3
205.03773	0.7
214.06395	0.6
215.05756	3.0
217.03584	4.0
229.07309	0.6
231.05190	6.0
232.05696	2.4
232.07336	3.9
233.06758	1.1
243.05206	3.9
247.08359	1.0
257.06537	0.9
260.05603	5.3
264.18649	0.5
275.07883	100.0
276.08228	0.5
299.28348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03635	0.9
58.97016	0.8
67.28577	0.9
71.04338	0.9
91.11519	0.9
92.10153	1.4
92.10654	2.0
96.96027	5.1
116.92873	3.9
120.04534	1.3
162.05589	4.1
164.66156	0.9
176.03423	1.9
177.06715	1.6
191.02063	1.3
204.07811	1.8
215.05725	3.7
217.03687	4.9
231.05179	2.2
232.05650	1.3
232.07594	2.6
243.05241	2.2
247.08405	1.7
253.82307	1.1
260.05472	4.0
275.07886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0562
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
59.01392	2.8
61.87386	1.2
65.03971	1.4
67.01902	10.9
79.86137	1.3
82.13139	1.5
82.13589	1.5
84.26295	1.2
93.03486	1.5
96.22713	1.4
98.06264	1.6
103.05518	1.6
109.02957	9.9
117.07132	10.0
119.04995	7.7
121.02949	2.1
121.06604	3.1
122.03735	9.3
131.03473	2.9
133.06598	2.6
135.04556	2.1
135.08165	7.4
137.02353	1.5
143.05005	7.0
144.05792	3.1
145.02954	2.9
145.06564	12.8
146.03746	6.3
147.04498	2.6
157.06546	2.9
159.04546	12.7
159.08142	11.5
161.06085	66.3
163.04019	2.8
163.07614	8.1
171.04480	5.5
172.05269	1.5
174.03204	3.3
174.14317	1.6
175.07585	2.2
185.06001	5.6
187.04012	69.7
187.07597	12.6
188.04796	10.6
189.05598	36.4
201.05563	2.0
203.07158	18.9
213.05553	6.5
216.04228	2.1
231.06635	100.0
275.05661	5.9
285.92984	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	273.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.5
67.08328	1.1
76.57999	1.2
83.06520	1.3
99.02743	5.4
115.05518	25.5
117.03423	9.8
117.83096	1.2
118.43265	1.2
119.04992	4.0
129.07101	2.3
131.05025	10.1
133.06615	7.1
141.07211	1.6
143.05066	8.0
145.02971	5.5
145.06497	1.5
146.03745	18.2
146.55342	1.3
149.02458	6.8
149.43517	1.5
156.05840	2.1
157.06581	19.7
158.03787	2.3
159.04521	100.0
161.06093	23.3
167.05014	8.3
169.02905	2.2
173.06113	8.7
183.04532	6.1
185.06079	15.6
187.04004	12.9
201.05614	10.9
204.93764	1.4
211.04022	7.1
227.03523	1.5
229.05070	74.4
273.04083	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	273.0019
Annotation	3-Dehydro-L-gulonate 6-phosphate
Peak:m/z	Relative Intensity
52.25253	0.6
52.57840	0.5
58.71288	0.5
59.01380	0.8
63.55758	0.6
65.79021	0.6
71.01387	1.4
78.95905	67.5
87.00882	1.3
96.96054	9.6
96.96962	100.0
99.92588	1.5
115.92111	0.8
116.92880	1.2
122.92162	0.8
142.99850	1.5
168.99948	1.0
201.68762	0.6
243.07436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.09024	0.2
70.93967	0.3
95.81917	0.3
96.18073	0.3
105.54198	0.4
106.98347	0.3
118.07480	0.3
118.22363	0.3
136.18938	0.3
208.49364	0.3
225.22258	6.3
253.21715	1.6
266.98798	0.3
269.21304	1.2
271.22812	100.0
271.69873	0.3
272.23212	1.1
278.32828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01385	100.0
76.95834	1.2
87.95432	1.5
99.28904	1.5
118.01337	1.5
207.63954	1.6
223.79320	1.4
252.56244	1.6
271.22806	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.69009	0.8
57.97007	0.9
61.31326	0.9
82.02100	1.1
86.66560	1.0
93.32359	1.0
147.10904	1.1
223.20694	7.0
225.22276	84.7
253.21741	1.2
271.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01405	0.8
63.02400	16.9
65.00330	26.7
83.01396	15.7
93.03467	16.4
107.01395	40.6
119.05027	100.0
145.02957	1.6
150.99161	2.3
151.00385	69.3
161.06049	1.8
165.01884	3.6
169.01459	1.7
177.01927	12.6
187.04088	4.1
223.04657	1.1
228.28856	0.9
271.06152	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.13261	0.6
56.66568	0.7
57.33008	0.6
59.01396	5.2
60.75760	0.6
63.02401	17.1
65.00329	22.8
71.54930	0.7
75.04645	0.6
83.01392	16.5
93.03448	14.4
107.01398	36.1
119.05026	100.0
121.02989	1.0
125.02413	1.1
130.90796	0.7
143.05017	1.0
145.02977	1.6
151.00381	67.4
161.06033	0.9
165.01930	4.6
169.01451	3.5
177.01907	8.2
177.05649	1.1
185.06145	1.8
187.04028	3.8
191.03638	0.8
221.65265	0.7
246.55495	1.0
271.06168	85.9
277.87955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1297
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01369	0.4
71.06980	0.3
72.99342	0.3
85.78316	0.3
92.05072	0.3
93.21870	0.4
94.02988	0.5
95.73270	0.3
120.04545	3.8
134.06119	0.7
136.07689	0.8
172.07681	0.4
174.07950	0.5
198.12975	0.7
211.08794	6.6
214.12462	0.4
216.43748	0.4
225.06789	1.4
225.10300	6.7
226.10808	0.7
226.12589	1.3
236.09688	0.7
239.08286	4.9
240.09029	1.4
241.13484	6.3
251.11961	0.5
253.09869	4.1
254.10619	14.5
267.11279	0.5
269.12976	100.0
270.13290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0227
Annotation	2-epi-5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
59.01368	0.4
60.55063	0.3
65.20329	0.3
71.01396	1.3
72.99322	2.0
78.95912	53.6
88.98801	0.4
93.08691	0.4
96.54313	0.4
96.96053	12.0
96.96964	100.0
111.04525	2.3
116.05512	0.3
120.03788	0.3
124.48697	0.4
124.98853	0.6
129.05585	1.9
132.20319	0.3
142.99869	7.9
155.03572	3.6
173.00940	3.2
173.04552	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01384	5.1
80.77840	0.4
89.51233	0.4
90.06535	0.4
92.65238	0.4
153.97678	0.4
267.23318	100.0
268.23737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.08799	0.4
51.50598	0.4
54.48577	0.4
63.02401	7.6
63.07721	0.4
63.54420	0.6
65.00333	3.8
65.09951	0.4
83.01357	0.9
93.03473	1.1
105.03505	0.6
107.01398	5.9
117.03466	23.5
135.04530	2.0
139.04297	0.5
149.02431	6.3
151.00369	4.6
159.04503	4.6
161.02463	2.2
169.02974	0.9
181.06535	0.9
182.03737	0.6
183.04498	2.7
196.05240	0.9
197.02469	1.0
197.06044	2.1
201.05618	1.2
224.04993	0.6
225.05580	3.0
227.03436	0.8
269.01166	6.2
269.04572	100.0
270.04950	0.7
291.28427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28452	0.7
58.63536	0.7
59.01389	7.8
63.17020	0.9
69.31954	0.8
70.15908	0.7
87.00874	46.1
100.18420	0.8
105.01971	1.5
119.05045	1.4
135.04521	4.1
145.02924	3.1
146.03752	100.0
147.04498	3.8
155.85631	1.0
161.06079	25.4
163.04030	3.3
164.04797	63.7
179.07150	87.8
232.27338	0.8
267.08734	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	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.92185	2.5
56.62206	2.0
59.01384	59.0
62.24427	2.1
69.03475	3.9
71.05018	28.0
84.29179	2.2
92.10181	8.2
97.06594	12.9
98.39310	2.6
99.00905	3.3
113.83925	2.5
120.99717	2.2
137.04315	6.0
177.05530	2.9
179.14418	3.9
205.12274	3.0
223.13417	100.0
249.11391	10.2
267.12387	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83679	0.5
54.61392	0.4
59.01382	13.5
59.01652	0.7
61.79260	0.5
67.55203	0.5
72.99328	0.8
75.00896	0.7
76.56859	0.5
77.76905	0.5
78.95900	56.9
93.03453	1.1
96.96955	100.0
104.57635	0.5
105.01927	14.0
119.05006	2.3
133.02951	0.9
135.04503	0.7
161.02475	5.3
177.05579	4.5
183.27405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54121	0.4
59.01389	4.1
61.43682	0.4
62.95766	0.4
72.99306	6.9
75.00878	4.6
105.01932	100.0
115.10419	0.4
133.02957	12.6
135.04549	4.8
161.02443	36.4
179.03476	1.1
218.92117	0.5
234.55388	0.5
267.05020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35778	0.4
52.32911	0.3
59.01390	6.6
59.80846	0.4
69.13974	0.4
70.16013	0.3
72.99306	6.6
75.00868	5.9
105.01939	100.0
116.39176	0.4
133.02965	13.7
135.04512	5.0
148.47339	0.4
161.02449	33.4
169.78920	0.4
174.34805	0.4
177.05766	0.6
179.03474	1.9
267.05215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87117	0.9
57.03457	100.0
59.01386	64.3
61.47305	1.0
62.89255	1.0
71.01411	2.6
80.40535	1.0
89.02465	2.4
97.98112	1.1
99.04522	83.0
101.02454	12.8
121.05100	7.7
125.02425	10.2
125.57748	1.0
143.03456	1.3
161.04497	2.1
163.06207	2.5
180.17754	1.1
219.95676	1.2
265.09387	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14470	0.2
59.01394	0.3
67.00661	0.3
79.95721	2.5
95.95210	0.4
96.96007	100.0
108.57952	0.3
190.66112	0.3
191.14310	0.3
205.16046	0.4
265.14801	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2175
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
50.67163	1.7
52.88198	1.7
59.01389	3.9
59.12815	1.9
61.98861	2.9
70.87693	2.1
96.95968	5.3
131.61269	2.0
135.59404	2.0
182.54648	2.2
183.51451	2.3
205.15958	10.2
210.78748	2.4
265.21741	100.0
272.92273	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	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01887	5.9
56.22203	3.1
57.03446	8.0
58.00606	17.4
59.01379	100.0
64.34511	3.6
68.39648	3.5
71.01378	77.9
71.05021	39.9
72.99277	4.1
73.02944	39.8
73.06578	5.0
83.01384	9.0
83.05029	22.2
83.77721	3.3
85.02948	51.8
87.00883	4.1
89.02449	24.2
95.01372	4.1
95.04990	5.4
99.00880	8.9
99.04520	7.1
101.02438	55.2
101.06068	71.5
108.72362	3.5
112.01656	7.6
113.02441	33.1
113.06094	7.7
115.27070	3.4
125.99701	3.5
130.64738	3.1
131.07126	71.0
141.74437	3.6
161.04530	36.7
161.08208	50.7
181.00079	3.4
185.08170	3.8
193.29697	3.9
263.11407	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.75720	2.6
56.57154	2.7
56.98907	2.5
59.01379	3.8
63.92329	2.5
68.40201	2.8
210.82274	3.0
236.38475	2.9
263.17380	4.4
263.20193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01382	81.8
71.01397	4.4
89.02453	2.7
92.10106	3.2
99.04514	92.7
101.02438	15.2
112.69500	1.1
121.05083	8.7
125.02448	12.9
140.52213	1.1
143.03568	1.4
145.61653	1.2
154.25027	1.1
163.06140	4.5
164.80748	1.1
190.22746	1.2
203.09332	1.5
230.22910	1.3
237.24707	1.1
265.09293	10.1
266.08008	1.3
266.95419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.40079	1.0
76.44489	1.0
116.66432	1.0
124.09204	1.1
129.39534	1.3
130.22340	1.2
139.91864	1.2
188.22237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62806	0.3
59.01383	100.0
63.53537	0.3
73.02950	0.4
78.56762	0.3
83.95528	0.3
92.26842	0.3
101.06077	1.8
159.06418	0.6
182.21059	0.3
203.05504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
92.10130	0.8
116.05967	0.8
126.91553	0.7
131.06961	0.9
148.84576	0.8
158.06053	6.2
159.06441	12.1
174.05586	0.9
175.05994	1.7
203.05389	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	262.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
61.86195	0.4
86.09380	0.4
115.05534	8.5
116.05058	5.5
128.05090	1.8
130.06621	14.4
131.03729	0.9
132.04564	4.2
144.04518	5.3
146.06123	10.1
157.05344	1.0
158.06116	100.0
159.06364	0.6
174.05600	26.8
202.05122	37.5
205.27808	0.5
220.06168	3.0
226.13161	0.5
241.27853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21974	0.3
59.01385	100.0
61.49697	0.4
73.02936	0.6
116.60859	0.4
120.99600	0.4
130.09119	0.3
133.03076	0.5
158.06087	0.6
159.06506	2.5
161.02452	0.7
178.18491	0.3
203.05405	0.5
263.02060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0076
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
56.04876	0.7
58.54572	1.0
59.01397	1.6
62.69388	1.1
72.99306	20.6
75.00882	5.8
79.41364	1.0
79.95730	8.8
80.96497	1.2
81.03475	1.8
92.10142	1.3
93.03457	33.4
96.96015	1.7
107.05009	3.8
119.05026	64.7
128.88635	1.1
131.01736	2.4
134.03671	1.4
135.04527	36.3
137.06056	1.3
142.04924	1.1
163.04007	47.3
165.82892	1.1
172.84781	1.0
181.05081	100.0
187.50038	0.9
199.00739	14.2
215.00304	7.9
239.14754	1.2
261.00763	85.4
280.40085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30200	0.4
54.82433	0.6
59.01385	9.8
75.00893	0.4
78.94025	0.5
92.10880	0.5
102.55144	0.5
103.97256	0.5
115.05550	8.1
116.05068	4.6
125.34342	0.5
128.05089	1.2
129.05847	0.6
130.06618	13.1
131.03748	1.1
132.04539	3.5
144.04570	4.7
146.06152	9.1
157.05356	2.1
158.06122	100.0
159.06548	0.5
159.28433	0.5
172.04059	0.6
174.05602	25.0
202.05128	35.5
220.06189	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	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
52.39632	1.1
59.82543	1.0
72.99310	18.6
74.27848	1.2
75.00879	7.4
75.01328	1.0
78.95924	4.8
79.95744	11.1
81.03441	2.0
81.94212	1.0
93.03459	35.5
96.20032	1.1
96.95975	1.4
96.96966	4.4
106.51836	1.0
107.04984	1.9
112.31490	1.0
117.01920	2.1
119.05022	66.9
120.27140	1.4
135.04526	45.2
135.05502	2.5
137.06075	1.3
163.02705	2.2
163.04012	51.3
181.05074	100.0
199.00710	15.8
215.00224	10.4
261.00745	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94711	0.3
59.01394	0.6
66.51118	0.3
73.74380	0.3
80.02700	2.1
81.03474	1.6
83.05035	6.8
84.02176	5.1
95.05054	0.9
109.06591	0.5
135.08168	0.7
163.11316	7.5
165.12868	3.9
181.12331	0.6
191.10817	0.9
205.26367	0.4
209.11858	100.0
217.05339	0.4
220.19958	0.4
227.12903	8.9
248.74971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63084	1.3
59.01381	20.6
64.63229	1.5
71.01412	2.7
73.02950	1.9
92.64943	1.6
95.19107	1.7
99.67643	1.7
115.07616	1.8
125.09724	2.3
127.11292	3.4
137.09731	10.5
143.22154	1.6
145.06587	1.8
155.10789	100.0
171.10287	31.3
183.10266	3.3
197.11731	2.3
199.09758	23.2
217.10843	77.0
223.09741	8.6
239.57498	2.0
259.06076	3.3
259.11935	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	259.0822
Annotation	Latifonin
Peak:m/z	Relative Intensity
55.01893	13.9
56.22440	2.0
57.03466	2.6
58.00617	2.8
58.99615	9.4
59.01384	100.0
71.01379	25.5
72.99324	3.7
73.02950	62.6
73.03355	2.9
78.95935	13.3
83.01401	5.2
85.01202	15.1
85.02974	22.3
87.00870	3.1
92.10413	4.8
96.96989	14.5
101.02448	36.6
102.98591	48.4
129.00148	20.1
137.75920	2.2
139.86247	2.1
161.04572	45.5
252.37903	2.5
259.08234	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.42287	0.3
57.03452	0.5
58.99611	1.6
59.01392	1.8
67.63953	0.3
69.26318	0.4
71.01382	1.8
76.86224	0.3
78.95905	83.2
85.01197	0.9
86.29327	0.4
87.00896	1.6
92.10863	1.3
96.96051	8.7
96.96957	100.0
99.00871	0.6
99.04476	0.4
100.73691	0.4
102.98592	7.2
110.98580	0.4
112.98797	0.6
123.03852	0.4
124.94351	0.4
129.00139	2.1
130.91953	0.4
138.98050	4.2
142.99863	6.0
143.03508	0.7
161.04597	1.7
168.99084	0.7
196.36368	0.4
199.00128	1.5
259.02274	8.0
267.63303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
52.76360	0.2
52.76646	0.3
55.99978	0.3
62.17720	0.3
71.01381	0.4
73.77985	0.3
78.95909	91.1
80.17841	0.3
85.48199	0.3
89.81113	0.3
92.10261	0.5
96.96961	100.0
101.02430	0.5
127.42591	0.3
129.70082	0.3
130.46120	0.4
138.98035	5.6
162.38504	0.3
168.99028	2.4
198.90640	0.4
199.00163	1.7
199.12204	0.4
222.99953	0.4
241.01314	0.4
259.02240	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	258.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42109	0.5
59.01365	0.8
83.24374	0.7
93.62106	0.7
99.92570	7.2
114.93486	0.8
116.92866	100.0
147.13548	0.8
156.90849	6.1
176.98161	0.9
198.91919	4.0
214.97862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1761
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.53915	1.7
55.03064	1.8
59.01410	2.1
74.45689	1.8
149.77568	2.1
152.32990	2.0
158.79944	1.9
195.17561	60.2
195.19145	2.2
198.42299	1.9
223.80946	2.1
239.16548	53.3
243.97318	2.2
257.17599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16451	0.3
59.65454	0.3
76.62965	0.4
78.03498	1.3
80.05056	100.0
85.77573	0.3
88.15874	0.3
88.27522	0.3
94.03005	1.4
95.52541	0.3
96.04548	57.1
110.06119	65.9
122.02460	1.5
138.02298	0.4
147.04535	8.2
188.04004	0.3
209.60092	0.3
218.31488	0.3
258.11377	15.1
258.14029	0.8
258.20840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.192
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
57.53894	0.6
59.01385	4.3
61.98832	3.7
62.31922	0.7
62.99281	0.6
65.19067	0.7
72.04534	0.7
72.90701	0.7
74.02471	100.0
74.08019	0.8
104.21918	0.8
152.25864	0.9
164.53349	0.9
206.13560	0.8
212.20232	4.1
256.19214	38.2
256.23294	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	257.0821
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
56.77914	0.3
57.46088	0.3
65.14571	0.3
71.44160	0.4
113.47659	0.3
117.03431	0.3
122.11823	0.3
122.13158	0.4
141.07118	0.6
143.04999	0.4
169.06506	0.4
171.04480	1.6
172.05309	4.3
173.06027	0.9
180.05873	1.5
183.04588	0.5
185.06071	7.1
195.04535	0.8
196.05293	1.4
197.06099	9.7
198.06834	0.5
199.04048	9.1
204.04240	0.8
212.04892	0.7
213.05580	11.3
214.06453	0.8
217.81927	0.4
224.04826	5.9
225.05609	2.0
240.04276	0.4
241.05087	100.0
242.05859	16.5
257.08218	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61216	0.2
59.01384	100.0
59.38544	0.2
60.92824	0.2
64.32607	0.2
65.47269	0.3
86.30464	0.2
92.10815	0.5
123.53417	0.2
166.56709	0.2
255.23299	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	256.0827
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
59.01011	2.0
59.01389	8.8
61.98844	4.9
71.05013	2.6
71.09346	1.9
72.04553	4.7
72.39342	2.1
76.57111	2.9
82.02977	40.7
84.04560	3.5
84.58654	2.3
93.03474	4.6
96.04504	2.2
98.02470	22.2
98.06105	16.5
100.04044	19.3
110.06078	2.4
110.82500	2.3
111.03249	2.3
111.04521	3.9
112.07687	2.2
123.59660	2.0
126.05613	10.4
126.25798	2.0
128.07202	24.8
130.06610	2.1
140.10815	8.9
148.07710	17.6
150.09253	25.9
154.05130	2.4
160.23860	2.3
166.08675	4.2
173.88347	2.3
184.09796	3.4
210.07736	23.9
212.09325	15.0
228.08635	4.6
242.89990	2.8
255.23477	5.0
256.08286	100.0
256.23517	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.1
59.01659	1.9
65.08840	1.6
71.01386	1.5
72.99319	2.3
78.95903	16.3
95.01401	2.2
96.96005	6.4
98.55463	1.6
108.02195	10.6
108.62360	1.7
109.02941	41.0
109.03571	2.1
111.00890	9.6
123.04510	5.2
124.01677	8.9
152.01169	40.9
152.91754	31.7
153.01942	30.9
165.19978	1.6
167.03499	7.8
167.90437	6.4
194.92746	33.8
195.02992	100.0
212.94009	2.9
245.16118	1.7
255.05145	36.5
255.23373	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	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.0
63.81045	1.0
64.34599	1.2
69.05322	1.1
71.01392	2.4
83.01385	1.0
83.04338	1.0
92.10701	1.4
95.01354	2.7
108.02184	8.2
109.02954	40.9
111.00874	9.8
123.00867	3.0
123.04509	2.2
124.01644	6.1
133.79167	1.2
139.00316	1.5
149.02393	2.3
151.03986	2.7
152.01155	33.6
153.01949	39.2
195.03004	100.0
254.33614	1.2
255.05148	32.1
255.23358	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.18122	0.4
67.21362	0.3
70.03843	0.3
71.01380	1.6
85.02944	0.5
87.00861	0.5
87.67647	0.3
89.02446	1.5
90.98798	0.4
119.03486	0.4
120.99632	0.7
157.54948	0.4
161.04552	1.5
165.02222	0.7
173.65164	0.4
193.07246	3.0
253.03845	1.7
253.09294	0.6
266.79666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2176
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
50.34377	5.3
58.75220	6.2
59.01389	100.0
77.38447	6.8
82.74198	7.5
115.46672	7.1
161.26048	6.9
180.21532	7.5
187.96471	6.6
253.21669	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	254.9495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73614	0.5
59.01384	5.1
62.38329	0.5
70.20705	0.5
78.95898	29.6
79.95744	1.1
96.91279	0.6
96.96004	77.4
98.60391	0.6
114.95520	0.6
125.76858	0.6
129.70087	0.6
131.87555	0.6
136.94034	3.9
141.79495	0.6
152.91766	97.2
167.90459	18.9
170.92822	3.6
194.92795	100.0
212.93893	20.7
254.85339	24.6
254.87900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82571	0.6
58.61464	0.5
59.01383	100.0
61.51776	0.5
71.01374	0.7
72.99305	6.8
73.02950	1.0
83.01349	0.5
85.02961	1.1
87.00883	1.0
99.00891	1.3
101.02417	1.0
105.05588	1.0
106.04245	2.2
114.76506	0.6
121.02972	3.0
122.03715	0.9
125.02407	1.0
134.03741	47.6
137.02455	3.5
149.02457	0.9
149.06070	6.5
150.03247	3.4
161.04556	5.6
165.05518	1.1
178.02802	5.4
180.52597	0.5
193.05075	20.6
193.07175	11.2
211.06145	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02779	0.3
59.01386	100.0
60.43780	0.3
71.01379	0.5
71.34188	0.3
72.78438	0.3
72.99343	0.4
73.01183	0.8
74.99107	2.2
76.07426	0.3
89.02464	0.5
99.79059	0.3
101.02382	0.5
103.00404	0.3
106.07066	0.3
117.00189	1.3
120.99660	1.4
121.03236	0.3
165.02255	1.5
190.12354	0.3
193.07195	0.8
250.76419	0.3
253.03922	1.4
258.50766	0.3
259.57425	0.3
259.71335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
69.39304	1.9
73.02949	8.5
73.47263	2.0
78.19910	2.4
112.94264	2.5
187.14906	15.2
214.31239	3.1
249.14983	100.0
257.37735	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	250.1448
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
56.28772	0.1
58.98112	0.1
61.98819	0.2
94.66042	0.2
117.19681	0.1
163.43213	0.2
171.76459	0.2
191.86981	0.2
205.12358	0.7
206.93765	0.2
220.09746	0.4
220.14696	0.7
234.11404	1.8
246.53214	0.2
250.14502	100.0
251.14861	0.9
267.11200	2.2
269.16574	0.2
272.34549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1134
Annotation	Trolox
Peak:m/z	Relative Intensity
56.47531	0.5
57.50280	0.4
59.01382	0.5
61.98832	0.4
73.02962	0.7
74.56110	0.4
77.39823	0.4
79.52390	0.4
79.95757	2.8
107.59161	0.4
110.59203	0.4
114.39115	0.5
147.04520	0.5
156.09410	0.4
175.07664	9.8
178.29803	0.4
184.00223	0.9
184.50375	2.5
185.00096	1.8
189.09235	11.1
190.09972	6.2
193.08702	1.6
195.10297	0.8
217.08731	11.4
248.58165	2.5
249.11340	100.0
249.14957	4.3
250.11826	0.7
259.21893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
50.07586	1.9
56.21391	2.1
59.01386	9.2
60.90160	1.6
65.41696	1.7
69.03461	40.9
73.02946	2.4
74.29855	2.0
74.57626	2.5
76.56722	1.9
79.95718	2.6
95.05032	5.2
119.05012	2.9
161.13292	2.1
164.85413	2.1
165.63229	2.4
167.10779	2.7
184.50348	2.1
193.12355	5.1
205.12375	4.8
205.16032	11.5
221.15538	18.4
231.13905	27.4
249.15022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.76297	0.1
52.28936	0.1
53.65009	0.1
62.98592	0.2
67.89775	0.1
92.65341	0.2
95.43186	0.2
108.10637	0.2
205.15945	0.3
231.13861	0.2
247.17049	100.0
248.17455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82676	0.2
59.01379	0.2
61.98846	0.5
66.73254	0.3
69.03468	0.5
79.18600	0.2
83.05022	0.3
101.62613	0.2
119.05062	0.3
132.55249	0.3
155.10777	0.4
167.14398	1.3
183.13916	11.4
193.12340	2.6
193.41040	0.3
211.13434	100.0
212.13786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
57.47843	1.0
59.01382	15.9
60.37045	1.0
71.01393	5.5
72.99284	1.7
78.95901	100.0
80.96554	1.4
89.02435	7.0
92.92780	9.8
94.92490	13.1
94.98080	2.5
96.92197	1.7
96.96957	33.3
101.02415	9.9
108.90200	40.6
110.98504	2.1
113.02458	1.3
119.03485	12.5
135.15068	1.1
137.68526	1.2
146.02158	1.2
149.04601	1.5
152.98343	2.0
152.99588	53.6
170.90344	2.5
170.99196	2.1
171.00624	27.5
209.06702	2.5
233.45667	1.3
245.04356	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0455
Annotation	hispidin
Peak:m/z	Relative Intensity
57.68717	0.4
59.01389	1.0
65.00358	0.5
73.86998	0.4
79.04331	0.4
83.01398	0.6
85.06167	0.4
89.55164	0.5
102.48905	0.4
110.69773	0.5
112.10406	0.4
113.04050	0.5
115.05479	0.4
127.11292	0.7
130.04242	4.8
131.05017	9.3
133.02954	4.6
135.04532	6.6
141.03477	2.9
143.05067	4.8
145.06635	0.5
158.03767	5.4
159.04523	100.0
160.04935	0.8
161.02448	2.2
163.11345	0.5
172.05275	0.6
173.06111	3.4
183.04544	3.3
199.03897	0.6
200.04846	0.9
201.05612	26.3
201.11301	5.4
203.03500	0.9
209.11885	6.0
227.12938	1.7
245.04564	18.7
257.62402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01899	0.8
57.03464	0.6
59.01387	1.1
71.05029	3.8
82.65456	0.4
83.05040	1.9
84.49510	0.4
88.97601	0.5
97.02946	7.1
97.06598	2.1
99.00880	19.5
99.01524	0.7
109.06608	2.7
110.03773	3.0
118.83075	0.4
123.08182	1.0
125.09715	9.3
128.73053	0.4
135.08185	1.8
136.05360	1.7
142.02660	1.0
145.10223	0.5
149.25771	0.5
155.14433	2.6
161.09720	0.6
163.11284	10.6
179.10776	0.6
181.12343	22.9
197.11887	0.9
199.13416	14.9
207.10289	54.8
220.88126	0.5
225.11345	83.8
226.11633	0.6
243.12379	100.0
244.12788	0.9
244.79758	0.4
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 1a
Peak:m/z	Relative Intensity
55.28839	1.1
57.03448	1.5
59.01379	2.2
71.05030	6.7
74.97678	1.2
97.02942	11.4
99.00866	21.5
100.90807	1.4
103.78215	1.6
109.06641	1.6
110.03766	2.6
123.04504	1.4
125.09734	10.3
127.11299	2.1
136.05386	1.7
142.02739	1.8
144.34650	1.4
155.14420	2.8
156.50800	1.7
163.11287	15.4
181.12392	33.1
183.67641	1.4
191.20927	1.3
192.28453	1.4
197.11963	1.6
199.13429	28.3
207.10300	72.6
225.11345	100.0
243.12396	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
50.10345	0.2
59.01394	0.3
62.45718	0.3
67.43518	0.3
68.86938	0.3
78.66682	0.3
81.03453	0.3
84.05592	0.3
95.24895	0.3
107.05026	1.6
109.02949	0.5
119.24949	0.3
121.02962	0.4
129.07120	1.9
130.04216	1.1
131.05031	2.2
133.02966	1.2
135.04523	3.2
137.02426	0.4
141.03432	0.4
143.05038	2.4
145.06621	1.6
147.08186	0.3
155.05075	0.5
157.06622	2.2
158.03772	1.7
159.04532	47.6
160.04889	0.5
161.02470	2.5
171.04486	0.4
171.08188	0.6
172.05281	2.5
173.06090	7.8
175.07652	7.3
180.05847	0.6
181.06570	2.4
183.04549	4.2
184.05280	0.4
185.02405	0.4
185.06058	1.8
192.36676	0.4
196.05267	0.4
197.06111	2.9
198.06862	1.6
199.03995	0.5
199.07664	7.5
200.04849	1.7
201.05602	25.4
215.07188	1.3
225.05598	5.6
228.04323	0.4
241.05061	1.3
243.06644	100.0
244.06940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0662
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
52.50166	0.9
59.01397	1.1
68.96788	0.8
78.66547	0.8
81.03477	1.1
107.05029	1.1
109.02945	1.5
109.06574	1.4
129.07074	1.2
130.04210	1.0
131.05029	3.6
133.03009	1.3
135.04521	4.9
143.05002	3.2
157.06581	3.4
158.03725	1.9
159.04523	59.1
161.02454	1.7
161.54477	0.8
171.10320	1.4
172.05298	1.6
173.06071	10.3
175.07668	9.2
181.06581	1.3
183.04593	3.1
197.06096	3.1
199.07631	6.9
201.03815	1.5
201.05603	30.2
207.10313	3.3
215.07152	1.3
225.05586	5.9
225.11307	3.9
241.04979	1.3
242.05611	1.6
243.06631	100.0
244.06915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03434	1.0
69.03455	2.7
71.05023	2.6
75.60713	1.1
84.38693	1.0
125.09678	1.9
151.11359	1.3
153.12866	3.8
163.96996	1.1
179.10759	6.0
179.69102	1.2
197.11839	100.0
200.36896	1.1
223.09662	1.6
241.10822	71.0
242.11145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1763
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
51.93938	0.4
61.98837	3.7
67.50002	0.4
78.53955	0.5
82.60536	0.4
88.40514	0.5
92.65014	0.4
181.15990	36.0
182.16302	0.6
198.18614	2.0
206.15477	0.7
224.16606	8.0
225.14980	40.5
235.36258	0.6
235.72702	0.4
237.62602	0.5
242.17628	100.0
243.15967	11.5
243.18115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0873
Annotation	Cannithrene 1
Peak:m/z	Relative Intensity
56.82528	1.0
59.01394	6.2
61.98842	1.7
68.81573	0.9
71.01383	4.1
89.02441	2.3
99.95642	0.9
101.02444	3.8
123.47427	1.0
144.05743	0.9
164.74596	1.0
169.06526	1.4
179.14423	9.7
180.05878	2.4
181.06908	17.6
182.07376	2.3
182.84578	1.1
183.04541	6.3
184.05289	1.5
197.06093	8.8
197.15509	1.8
198.06856	5.1
204.93517	1.1
212.38951	1.0
225.05603	100.0
226.06380	19.4
241.08745	66.3
241.14342	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	240.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98296	0.6
59.01384	7.4
61.46854	0.7
78.03490	1.4
80.05056	88.1
81.37675	0.8
85.02956	1.2
96.04550	39.3
104.37227	0.8
110.06120	100.0
112.96188	0.8
120.78965	0.7
149.19504	0.9
178.08676	1.7
196.09816	35.0
225.77112	0.7
240.08798	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0508
Annotation	4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid
Peak:m/z	Relative Intensity
51.72020	2.1
56.08207	1.8
59.01395	8.9
68.22346	2.0
71.01393	9.1
73.02953	2.4
85.02956	2.0
87.00914	2.6
89.02471	2.5
93.92387	2.4
101.02459	5.0
115.05519	3.5
116.54016	2.5
120.17743	2.0
131.05002	2.6
141.07098	13.8
143.05023	44.5
145.06609	10.8
151.05591	2.5
157.06549	9.9
161.06081	4.3
167.04932	8.3
168.05858	2.9
169.06604	15.0
171.04517	43.9
173.06064	14.6
181.07141	18.3
183.04558	3.3
184.05290	3.1
185.06075	62.5
189.05565	4.4
195.04518	23.1
196.05309	17.6
197.06102	34.4
199.04025	38.1
211.04025	3.7
212.04779	14.1
212.06772	2.0
213.05594	93.2
240.04207	3.1
241.05106	100.0
241.10857	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	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56762	1.5
54.01889	1.5
55.01889	8.9
57.03453	20.2
59.01389	39.3
67.01895	13.2
69.03466	7.5
70.76086	1.7
71.01386	20.6
71.05017	2.5
80.02674	2.3
81.03474	8.5
83.01382	2.5
83.05034	24.6
84.02181	11.0
85.02954	100.0
85.03461	4.0
89.02447	16.3
92.73107	2.0
93.66132	2.0
95.05032	2.8
95.08540	2.2
97.02950	41.4
101.02420	2.5
109.06630	4.1
110.03766	2.3
113.02460	3.6
119.03493	2.9
123.04477	2.7
127.11208	2.5
136.05420	2.5
142.02715	8.3
155.10760	3.6
168.08604	1.8
171.10257	26.0
177.12831	11.7
179.05666	3.3
193.12413	8.5
195.13901	7.4
221.11867	76.2
239.12927	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.56762	1.5
54.01889	1.5
55.01889	8.9
57.03453	20.2
59.01389	39.3
67.01895	13.2
69.03466	7.5
70.76086	1.7
71.01386	20.6
71.05017	2.5
80.02674	2.3
81.03474	8.5
83.01382	2.5
83.05034	24.6
84.02181	11.0
85.02954	100.0
85.03461	4.0
89.02447	16.3
92.73107	2.0
93.66132	2.0
95.05032	2.8
95.08540	2.2
97.02950	41.4
101.02420	2.5
109.06630	4.1
110.03766	2.3
113.02460	3.6
119.03493	2.9
123.04477	2.7
127.11208	2.5
136.05420	2.5
142.02715	8.3
155.10760	3.6
168.08604	1.8
171.10257	26.0
177.12831	11.7
179.05666	3.3
193.12413	8.5
195.13901	7.4
221.11867	76.2
239.12927	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11866	0.7
55.20314	0.7
56.36026	0.9
58.00606	1.7
59.01383	100.0
71.01381	45.5
71.01775	1.3
72.99320	1.3
73.02960	0.8
84.75709	1.0
85.02957	7.2
87.00883	1.2
89.02439	52.2
95.01391	2.3
101.02429	10.3
113.02455	10.8
119.03497	16.0
132.98068	0.9
143.03619	1.3
161.04610	1.4
179.05630	8.2
257.38364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
58.04564	3.0
59.01389	94.5
71.01387	43.5
71.01663	2.7
72.99327	6.5
73.16878	2.9
84.44464	2.9
85.02969	5.6
87.00901	12.7
89.02443	49.4
92.07026	3.0
92.86300	3.2
97.97937	3.2
101.02473	5.1
103.92056	5.3
106.04229	3.6
107.05046	24.7
108.02160	4.4
113.02453	4.7
119.03476	5.2
122.03758	5.2
123.04562	4.9
133.06599	6.3
135.04474	4.6
136.07695	3.9
137.02438	14.9
141.87105	2.8
144.98322	3.6
149.06084	36.6
150.03223	100.0
159.81787	3.7
161.04584	6.0
163.04068	3.6
165.05528	15.3
177.05534	38.8
179.03513	43.7
179.05617	17.2
180.04195	3.0
192.53731	3.4
195.06552	3.1
209.04597	29.2
239.05624	89.3
242.84026	3.5
256.41077	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	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01385	1.6
69.36947	0.8
72.99307	2.4
78.95897	32.3
85.02974	5.8
87.00871	100.0
94.92506	12.9
96.95996	3.7
96.96956	67.1
115.69205	1.0
116.97302	1.3
124.70410	1.0
129.01945	17.4
136.91780	13.7
154.90698	1.0
154.91634	1.7
154.92838	34.4
228.41310	0.9
237.06165	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	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34612	1.1
71.01392	1.8
71.05046	1.3
73.02945	74.8
73.03351	2.6
87.04513	80.3
87.16807	1.1
89.06080	91.3
121.02954	100.0
130.47101	1.2
148.31982	1.2
203.47124	1.5
237.07719	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95499	0.9
59.01388	4.2
59.50291	0.9
60.62394	0.8
61.98841	5.6
72.85179	0.9
98.68392	1.0
104.88802	1.0
108.40308	1.0
109.32410	1.0
115.80430	1.1
128.95995	1.0
129.10861	1.3
136.05382	1.1
148.05339	18.8
149.09674	1.9
176.08409	1.3
177.09210	76.8
190.10034	1.6
192.11572	46.9
215.58409	1.1
217.08789	4.6
218.09564	11.9
236.10551	100.0
237.11017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
53.66392	0.7
56.21693	0.8
58.25657	0.7
59.01376	1.4
68.06879	0.7
71.01389	0.8
73.11784	0.7
93.03410	0.8
96.05702	1.4
106.04230	1.4
111.45621	0.7
121.02927	3.5
129.01979	1.2
133.02956	7.7
134.03740	100.0
135.04060	1.0
137.02444	15.4
137.64119	0.8
139.04034	6.9
149.02458	1.5
149.06088	12.7
150.03249	1.3
178.02731	42.9
193.01311	1.1
193.05070	13.6
222.01738	10.5
237.04050	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	236.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82578	3.6
59.01399	13.8
61.98842	17.0
71.01398	3.8
72.68945	3.6
72.89694	3.5
72.99312	40.8
87.00871	28.3
92.05061	46.3
116.92882	5.2
118.06640	8.0
120.04540	29.4
120.99673	4.1
128.05090	17.7
130.06659	14.5
131.03775	18.5
134.06073	5.1
144.04564	100.0
146.02492	36.8
146.06142	31.5
148.04045	28.3
172.04007	7.5
174.05623	40.9
179.03453	4.3
190.05139	20.1
196.32108	3.8
218.04660	6.2
236.05684	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
59.01386	47.4
63.85799	1.5
69.03455	100.0
74.16113	1.4
75.82119	1.3
77.97057	1.5
78.72752	1.5
83.05035	2.2
95.05024	9.7
99.98772	1.5
133.50015	1.7
135.11813	3.0
135.62402	1.5
137.09737	3.0
148.93953	1.5
153.09195	1.8
161.79607	1.4
173.13295	2.3
188.22275	1.6
191.10815	3.8
191.14420	15.8
198.84898	1.9
207.13849	6.2
214.71054	1.6
217.12363	13.4
235.13492	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.15
Annotation	Huperzine W
Peak:m/z	Relative Intensity
54.82790	0.7
59.01385	8.0
60.66220	0.6
64.34563	0.7
65.04323	0.5
65.04729	0.6
114.38821	0.7
123.30395	0.7
155.57066	0.6
179.07207	0.8
204.15103	0.8
218.11888	4.5
234.15005	100.0
251.11693	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	235.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90504	0.3
53.69674	0.3
58.94958	0.3
59.01392	1.6
64.34435	0.3
64.79338	0.4
65.16134	0.3
68.37618	0.3
79.95731	35.3
80.96529	2.1
84.02162	0.6
87.21787	0.4
92.10237	0.4
98.73682	0.3
159.04433	0.4
171.08160	45.5
181.84297	0.4
235.04358	100.0
236.04771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0612
Annotation	STELLATIN
Peak:m/z	Relative Intensity
52.98060	0.5
59.01387	1.1
63.95485	0.5
73.02943	5.7
76.61942	0.5
88.98034	0.5
105.44656	0.6
130.04269	4.5
131.05054	7.1
133.02951	23.8
135.04501	8.5
141.03493	2.2
158.03786	2.3
159.04524	100.0
160.04909	0.9
161.02457	48.1
181.21562	0.7
193.05074	1.2
203.03528	6.2
235.06155	37.7
258.07727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1185
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
59.01389	100.0
69.03465	25.4
69.03804	1.4
75.00906	2.2
93.03448	7.7
95.05035	13.8
106.04263	3.9
107.08712	2.3
119.05020	2.0
121.06609	5.4
125.26785	1.1
133.10249	7.5
134.07394	5.4
135.08186	2.6
158.52893	1.2
161.09738	1.2
171.11862	1.5
172.88104	1.3
173.04539	5.2
188.98645	4.8
189.12891	20.5
190.98860	2.2
232.97704	2.2
233.11760	7.3
233.15468	10.4
239.23222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1547
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.13266	0.1
56.73684	0.1
59.01393	1.2
62.21735	0.1
81.40184	0.2
92.05582	0.1
93.03419	0.2
94.45435	0.2
95.56714	0.1
116.96964	0.1
126.95116	0.2
139.12262	0.2
141.35115	0.1
217.12349	0.7
233.15480	100.0
234.15750	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	233.082
Annotation	Bhimanone
Peak:m/z	Relative Intensity
53.31484	0.8
54.82629	0.8
59.01386	26.7
60.06880	0.8
64.42975	0.7
74.13382	0.8
88.56780	0.9
92.10041	0.8
93.03461	1.9
106.63457	1.0
109.02943	1.0
121.72359	0.9
147.04509	4.3
148.05345	1.0
149.06050	3.4
159.04497	10.2
161.02452	54.4
161.06070	2.1
169.06607	2.0
171.04491	5.3
172.05307	44.7
172.06726	1.9
173.04619	1.2
173.06084	3.6
174.03224	5.9
175.04002	100.0
176.04829	10.4
177.05449	1.2
185.06049	4.5
186.06888	1.9
187.07655	42.4
189.05600	12.8
197.06065	2.0
200.04820	15.8
203.03447	2.1
204.04260	5.5
205.08774	11.1
208.03717	3.3
215.07156	82.6
231.06567	1.0
232.03799	3.6
233.08197	63.9
233.15530	1.8
234.08443	1.1
249.70456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.5
67.01884	0.6
74.99067	6.4
75.00867	0.8
80.73283	0.5
91.02207	0.7
93.00130	3.5
93.03424	1.9
101.24724	0.4
120.05746	0.5
134.99397	9.6
136.97348	4.1
139.46362	0.6
149.00969	76.2
150.00957	0.5
150.98920	1.4
159.08444	2.5
161.06415	5.2
162.30626	0.4
173.04570	1.7
188.98563	1.7
215.05757	0.7
217.07242	100.0
217.78893	0.4
218.07298	1.0
232.97601	0.6
233.10373	71.2
233.15277	4.7
234.10422	0.7
235.08214	0.7
248.46774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.1
57.03445	6.7
57.08622	0.7
58.00605	1.7
59.01382	100.0
60.06394	0.7
67.01889	0.9
68.87485	0.8
68.99860	0.9
71.01379	39.2
72.47411	0.8
72.99309	3.7
73.02953	1.4
79.84558	0.8
81.03481	1.3
83.01394	2.0
83.05026	1.1
85.02946	16.0
87.00876	1.2
89.02443	10.3
93.03469	5.4
96.96013	10.8
99.00879	36.2
99.04504	2.0
101.02426	18.0
101.03016	1.2
101.30154	1.0
109.02972	3.3
111.00896	1.7
111.04534	1.0
112.98811	1.6
113.02442	11.5
119.03492	14.9
127.04085	0.9
129.01926	1.2
137.02446	4.1
145.00894	4.8
152.24292	0.8
155.03514	1.7
173.04543	1.4
188.99878	1.0
194.57584	1.0
232.98970	1.3
233.15305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.4
57.03465	2.0
58.00611	1.6
59.01384	100.0
69.03475	0.9
71.01377	35.9
72.99318	4.6
81.03470	1.1
83.01418	4.4
83.05051	1.7
83.23231	0.9
85.02950	12.3
89.02427	9.1
92.90588	0.9
93.03460	2.0
96.96011	9.9
99.00876	30.6
99.04522	1.9
101.02432	17.4
103.74939	1.0
109.02959	1.8
111.00912	1.4
112.44303	1.0
113.02464	11.7
119.03494	14.0
125.02494	0.9
137.02480	5.9
145.00911	1.7
162.96133	0.9
173.04579	1.5
193.16447	0.9
207.35725	0.9
218.26321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02294	0.4
54.82328	0.6
59.01389	1.3
68.10889	0.5
68.99622	0.5
71.01382	23.6
72.99309	5.2
73.91532	0.5
78.95911	1.0
83.57643	0.5
86.73830	0.5
87.00874	2.6
87.92557	1.1
89.02445	3.7
92.10741	1.1
96.96008	15.2
96.96970	0.7
100.67869	0.5
101.59100	0.6
111.91999	0.5
112.98817	0.8
115.00377	66.4
133.01439	100.0
134.01776	0.6
142.99835	0.6
161.00874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71854	0.4
59.01388	7.4
64.34109	0.4
67.01902	6.4
76.98271	0.5
77.63705	0.4
83.06431	0.3
91.16455	0.3
94.99306	7.3
101.01978	0.4
103.81882	0.3
104.97731	2.2
108.06447	0.3
111.00881	0.7
117.01395	1.7
118.99294	0.9
119.76812	0.4
120.72509	0.3
121.52894	0.4
145.00882	100.0
146.98830	1.8
148.64917	0.4
161.00363	7.6
170.98799	0.6
188.99857	42.4
232.98854	41.9
233.15726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20142	2.1
59.01384	48.0
71.01381	29.5
72.99332	2.2
73.02943	17.7
73.43906	1.9
78.92018	1.7
78.95906	37.9
81.84456	1.7
85.02973	3.5
87.00877	100.0
89.02444	12.0
96.96969	38.8
99.00887	23.2
99.46336	2.0
103.00385	2.2
105.01936	2.1
111.00870	8.3
112.98824	30.9
115.00369	49.4
117.01944	27.4
129.01950	4.8
142.99890	21.2
161.00926	30.4
164.15984	2.1
173.00858	3.8
178.97496	2.8
191.05615	18.5
211.00085	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.17624	1.2
56.04862	1.0
59.01399	1.4
66.03490	1.5
72.90603	1.0
73.01180	9.9
74.89197	1.1
80.05067	2.1
82.02995	8.8
92.10735	1.6
96.04559	32.2
98.99100	5.9
100.07700	1.3
101.67270	1.1
108.04563	36.6
111.36365	1.2
114.00193	100.0
137.94038	1.2
142.03329	87.5
186.02303	34.5
188.09190	1.5
230.01288	67.2
230.10266	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	229.012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	65.0
71.01379	46.7
72.99310	16.6
78.95900	27.9
85.02963	4.0
87.00876	94.3
89.02441	4.8
92.10746	4.7
96.95966	4.8
96.96964	23.1
98.02463	4.6
99.00886	28.6
105.01949	12.7
111.00864	8.0
112.98827	46.5
114.05620	6.9
115.00366	100.0
117.01934	5.0
129.01942	5.3
142.99849	15.2
156.89482	24.0
158.17685	3.9
161.00916	40.0
182.87151	3.9
245.12170	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03477	0.6
125.97195	0.7
153.20729	0.7
165.12848	14.4
179.03174	0.7
183.13901	100.0
184.14197	1.0
209.11804	0.9
227.12886	18.0
232.85219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01884	0.5
71.05026	0.7
80.02648	2.7
81.03474	2.1
83.01418	0.3
83.05026	7.5
84.02165	7.1
93.97427	0.3
95.05035	0.7
125.06090	0.6
127.11267	0.4
135.08150	2.1
145.49664	0.4
163.11288	7.2
165.03200	0.3
165.12860	4.0
179.25987	0.4
181.12413	1.4
191.10796	2.2
209.11862	100.0
210.12177	0.8
227.12914	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.14003	4.1
52.44695	5.0
54.44922	4.3
55.67063	3.9
58.00601	9.0
59.95885	4.3
69.03454	6.0
76.17188	4.8
92.10799	4.8
109.28430	5.6
151.11295	63.2
183.13939	6.9
199.13403	60.3
209.11859	22.1
227.12936	100.0
227.20248	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	227.1291
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
57.66777	1.4
57.79630	1.4
62.65136	1.5
67.01880	1.6
80.19518	1.5
84.92052	1.4
94.79229	1.7
95.01366	1.9
116.92902	2.0
165.12918	16.3
183.13901	100.0
192.94322	1.8
193.65454	2.0
227.12930	18.5
227.20216	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	227.129
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
53.01524	1.5
57.65138	1.6
59.01387	2.8
67.01911	2.3
92.93821	1.8
95.01402	2.7
111.00913	2.2
111.58601	1.7
165.12874	16.6
183.13913	100.0
215.33214	1.8
227.12988	14.2
227.20255	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62119	0.5
59.01387	4.8
76.57658	0.6
81.41350	0.6
83.05036	0.7
89.02413	0.6
106.04276	0.7
108.34074	0.5
109.06639	0.5
110.36537	0.5
163.11292	5.4
181.12361	100.0
181.72617	0.5
182.12775	0.8
207.10345	1.2
225.11278	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	225.1861
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
58.04892	1.5
59.01390	9.7
59.20286	1.3
61.98827	9.1
65.00340	11.1
67.01923	1.5
70.84679	1.3
71.01402	2.0
92.10203	1.9
93.03463	3.6
115.52882	1.7
125.59715	1.6
136.98781	3.6
201.90494	1.8
225.00568	2.2
225.18620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9965
Annotation	AC1NUST0
Peak:m/z	Relative Intensity
55.01874	0.7
57.03443	0.6
58.81467	0.3
59.01378	1.7
61.32290	0.3
63.22862	0.4
67.01883	0.4
71.01378	3.5
73.02940	0.4
74.27015	0.4
78.95900	58.4
83.01380	0.8
85.02950	4.0
87.00874	0.6
96.96954	100.0
99.00869	3.0
111.00900	3.5
112.98813	10.5
129.01920	2.5
136.01637	0.7
142.99849	0.8
151.03999	0.9
173.00885	2.5
191.04109	0.6
191.05637	7.7
226.99683	0.8
227.01987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	1.8
59.01375	16.8
69.03447	3.7
71.64333	1.9
79.21764	1.7
80.02695	4.8
81.03473	11.9
83.05035	3.5
84.02169	4.6
97.02961	10.5
99.04543	2.1
99.83250	1.8
102.99673	2.0
109.06599	73.7
110.03754	10.0
112.98393	2.0
121.06644	3.9
135.08160	10.2
136.05247	3.6
142.02753	4.6
161.09668	4.0
163.11305	43.1
168.04721	2.0
181.12341	14.1
207.10297	100.0
225.11340	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	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	28.8
66.90551	3.7
70.72759	3.0
73.87403	4.0
79.03249	3.5
80.02711	3.4
81.03474	6.9
84.02224	4.5
84.15740	3.7
87.93848	3.6
97.02943	8.2
108.63120	4.1
109.06601	59.8
110.03738	3.9
120.16763	3.7
135.08177	6.3
142.02763	6.3
146.99968	4.1
161.09789	4.8
163.11319	35.0
181.12346	26.1
207.10300	100.0
225.11371	71.2
229.95529	4.1
234.92499	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	224.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
65.08849	3.3
77.60604	3.8
77.61395	4.2
92.10072	4.4
124.12877	3.7
130.18573	3.1
135.08275	4.7
164.19995	3.9
167.40620	3.5
224.12961	100.0
225.11385	5.0
228.64502	3.7
242.67995	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	224.1295
Annotation	N-Methylmescaline
Peak:m/z	Relative Intensity
59.01388	15.4
61.46123	3.6
61.98848	8.6
65.03835	3.4
76.14713	4.2
80.05046	4.0
80.77926	3.5
102.95926	3.6
103.31667	3.6
133.00110	3.8
135.43532	3.8
224.12962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	5.2
59.73302	1.5
68.99828	2.1
69.03449	1.9
69.61088	1.3
71.01404	1.5
78.60108	1.5
81.03455	2.3
97.02957	17.1
99.00918	2.1
104.24708	1.6
109.06591	24.6
110.03743	8.5
115.98386	1.3
125.09718	2.3
135.08145	2.9
136.05315	5.1
142.02693	7.0
161.09763	1.6
163.11278	19.1
173.86490	1.5
179.10777	2.0
181.12364	27.8
207.10284	94.6
225.11339	100.0
242.84114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01391	5.0
66.89616	1.2
69.03477	7.4
72.27511	1.2
76.35557	1.1
86.86237	1.3
87.71770	1.2
112.03476	1.3
135.31596	1.2
135.69388	1.4
149.09727	1.3
151.11436	1.2
167.10773	9.5
177.12813	1.3
179.10803	2.4
179.14413	8.6
191.87810	1.4
195.12134	2.0
195.13895	29.3
205.12349	22.2
223.13428	100.0
224.13702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
55.12746	1.6
59.01384	87.5
62.80234	1.8
67.35597	1.9
74.66572	1.7
92.10825	5.3
107.08692	11.2
116.95897	1.9
135.11790	28.6
160.60199	2.0
161.09721	8.1
177.09186	2.5
179.10786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
56.28868	0.5
57.03464	0.8
59.01389	4.8
60.36639	0.4
71.70684	0.4
75.59120	0.5
85.06618	3.1
93.03478	0.5
95.05047	0.7
96.69256	0.5
101.39310	0.5
109.06602	3.5
122.14464	0.5
135.04526	0.7
137.09732	8.2
149.06088	2.2
150.06903	4.6
151.07677	1.1
159.69670	0.5
161.09731	2.2
163.07625	1.7
164.08459	3.8
179.10788	38.2
208.11095	3.6
223.13432	100.0
224.13765	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	223.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	80.2
59.01651	2.9
82.66501	2.4
92.10099	5.5
102.18410	2.1
106.04245	2.0
107.08686	12.0
110.83711	2.2
135.11774	29.6
150.85381	2.1
159.74141	2.0
161.09679	9.3
177.09065	2.3
179.09312	4.4
179.10797	100.0
190.01385	2.1
200.77667	2.4
238.06807	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	221.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.92958	1.2
65.89455	1.3
70.51657	1.2
71.01396	2.1
71.05020	73.8
73.02971	2.8
73.06593	1.6
75.02412	8.6
85.02974	3.6
88.33549	1.4
89.02457	1.7
92.10801	1.7
93.03468	2.9
101.02476	5.6
103.81480	1.5
106.18069	1.5
107.05064	6.6
119.01466	1.8
121.02950	58.3
124.22878	1.4
129.75583	1.3
131.03444	2.4
132.02048	1.3
134.03737	91.3
134.32140	1.5
135.04506	7.0
147.00893	13.6
149.09724	14.5
161.04581	5.7
165.01979	2.8
177.09195	13.0
190.99794	2.3
221.08220	45.4
239.56274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68911	0.7
59.01385	100.0
69.47332	0.7
71.01378	10.2
71.01671	0.6
71.05012	9.0
73.02943	10.5
83.01389	1.6
84.32085	0.7
85.02959	3.9
89.02464	2.7
92.65363	0.8
101.02437	4.7
107.05062	1.1
113.02448	1.7
121.02936	10.3
131.03503	2.6
134.03743	13.3
137.35403	0.7
147.00838	1.0
148.33820	0.7
149.06029	1.1
149.09737	1.2
161.04541	8.7
177.09254	1.6
221.08260	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	221.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34601	0.3
59.01384	39.2
71.01386	3.0
72.12553	0.3
73.02940	3.5
77.88650	0.3
79.95731	31.6
83.01394	0.6
85.02961	1.7
89.02447	0.7
92.25465	0.4
95.22959	0.3
97.02971	0.4
101.02442	1.3
113.02472	0.6
131.03502	1.4
144.39430	0.3
155.57942	0.4
156.05696	0.4
157.06587	39.8
161.04507	3.9
168.08171	0.4
171.49362	0.3
221.02803	100.0
222.03084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0303
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
55.01885	1.2
55.15036	0.8
57.03453	20.0
58.00605	1.0
59.01383	100.0
60.99298	0.9
69.03453	1.5
71.01377	31.9
72.99298	13.1
73.02969	4.2
75.00871	18.1
75.01259	1.2
83.01398	1.8
83.86186	0.8
84.93739	0.8
85.02941	13.6
85.59023	0.8
87.00873	29.5
87.01371	1.5
87.04515	1.8
89.02444	14.2
94.33059	1.0
96.79767	0.8
97.02975	4.1
99.00885	1.1
100.48544	1.0
101.02444	4.3
113.02443	1.4
115.00377	16.0
129.01939	78.9
131.03519	4.9
133.01414	8.5
141.01978	6.4
145.01430	4.2
159.02979	5.4
161.04594	10.9
191.98959	0.9
194.04106	0.9
203.02016	3.6
221.03120	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	219.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88188	0.1
59.01384	100.0
81.81217	0.2
87.51247	0.1
90.06207	0.1
150.94901	0.1
229.25728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14057	0.6
59.01387	77.9
61.79605	0.6
69.38211	0.6
71.01386	4.2
73.02956	5.0
79.95736	30.6
79.96203	1.0
83.01402	1.2
83.96712	0.7
85.02978	3.2
89.02431	0.7
101.02452	4.2
101.76897	0.6
113.02496	0.9
115.15204	0.6
131.03505	3.2
157.06595	40.4
161.04585	7.4
221.02820	100.0
222.03221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01387	6.7
60.01736	1.5
65.48716	0.8
67.05296	0.8
68.23148	0.8
71.01372	16.6
71.05015	33.6
74.55221	0.9
88.04033	100.0
92.10256	0.8
96.96021	1.5
98.88655	0.9
98.95592	1.7
99.04496	8.5
107.89308	0.8
116.07194	3.9
123.64481	0.9
124.50584	0.8
129.05618	1.6
130.02954	0.9
146.02509	1.4
146.08235	65.8
174.01950	8.5
175.99661	0.9
185.22382	0.9
218.00772	1.1
218.10361	31.2
238.92996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70855	0.4
59.01382	100.0
84.08720	0.5
90.97147	0.8
114.98853	0.7
118.96599	0.5
132.98192	3.6
165.01460	0.5
174.99246	27.9
217.00334	23.4
217.01917	0.5
227.65858	0.5
232.63605	0.6
235.85107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0459
Annotation	5-Hydroxyindolepyruvate
Peak:m/z	Relative Intensity
52.37784	0.6
59.01382	6.9
60.01722	1.5
61.60836	0.7
64.83619	0.6
73.61532	0.6
75.30675	0.5
92.10703	0.9
94.92982	0.6
116.05065	8.8
118.06615	6.2
119.50073	0.7
128.05064	34.0
131.03761	17.6
132.04558	10.7
144.04559	95.4
146.06125	100.0
147.06480	0.9
172.04086	7.4
173.98442	0.7
174.05603	29.7
174.99225	1.2
204.05600	0.7
211.10004	0.7
218.00702	1.6
218.04608	10.4
218.89040	0.7
227.06123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10551	0.5
76.38715	0.5
76.68311	0.5
78.09301	0.5
79.92822	0.5
88.13209	0.5
92.10772	1.0
95.70737	0.6
97.06647	0.7
135.46837	0.5
151.11290	13.0
152.28331	0.6
169.12349	100.0
170.12637	1.2
180.04941	0.6
213.11343	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	213.1136
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.54326	0.3
52.54660	0.3
57.21279	0.3
64.56775	0.3
123.26050	0.4
151.11302	11.0
161.42207	0.3
169.12346	100.0
170.12683	3.2
184.21994	0.4
195.10208	0.5
213.11359	16.3
214.11754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.76437	0.4
59.01413	0.7
64.19508	0.4
66.26952	0.4
81.65920	0.4
85.06598	0.4
92.10786	1.2
95.80859	0.4
119.94749	0.5
165.12856	0.6
183.13901	36.0
195.13910	22.5
196.14523	0.5
213.14996	100.0
214.15388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
58.00599	0.8
59.01383	45.5
66.61057	0.6
69.99005	0.7
71.01379	24.4
72.99311	1.4
73.02943	49.7
78.95899	14.1
78.96316	0.8
87.00873	100.0
89.02441	14.9
92.76170	0.7
96.96954	18.5
97.44057	0.7
97.68656	0.7
99.00867	15.7
103.00388	1.3
103.43745	0.7
112.98782	10.1
115.00369	32.6
117.01939	90.8
142.99869	9.5
155.29869	0.7
161.00926	48.1
214.99631	1.2
215.03282	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.50581	1.1
54.82626	1.2
55.84149	1.1
68.65173	1.3
69.45063	1.4
90.07187	1.6
95.22321	1.3
111.07537	1.6
112.32645	1.4
124.83331	1.3
131.06497	1.4
132.32118	1.5
138.34346	1.6
176.42082	1.4
183.13846	15.9
193.12340	5.6
211.13423	100.0
219.91731	1.8
223.70647	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.87522	1.1
59.01379	1.4
60.27683	1.1
61.98848	5.1
71.01389	1.5
85.50818	1.2
92.10175	1.6
95.01397	9.1
111.08166	1.7
123.00904	3.0
139.00357	1.4
167.14429	3.2
183.13914	15.3
193.12314	1.8
197.38434	1.5
211.13435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.24017	0.6
59.01389	1.2
61.98845	0.9
80.00150	0.6
88.76188	0.8
92.10175	1.1
95.01394	3.4
134.91994	0.6
139.00487	0.7
144.39781	0.7
151.06100	1.3
167.10858	0.8
167.14430	3.0
170.88103	0.7
183.13913	16.6
193.12340	3.8
211.13431	100.0
212.13731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88829	0.8
59.01392	9.3
70.39837	1.0
74.34063	1.0
78.95899	2.1
82.25395	1.0
83.05026	1.5
85.06589	33.1
85.07037	1.6
86.73386	1.2
87.64085	1.0
88.83786	1.0
92.10194	1.7
95.01379	1.4
103.92051	6.1
108.02169	30.1
111.04525	14.4
123.00892	1.8
123.04530	8.5
129.05574	100.0
136.90065	1.2
152.01163	49.1
156.93861	2.0
166.91064	17.2
167.03433	6.8
169.91154	1.2
194.32643	1.3
210.89980	2.0
211.02538	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	211.0249
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
53.53225	1.0
59.01408	4.6
59.37070	1.0
71.01402	1.2
95.01395	4.8
97.99921	1.1
103.92029	6.2
108.02184	69.8
123.04528	11.3
128.21820	1.4
151.06143	1.2
152.01161	100.0
152.71054	1.0
158.50406	1.3
166.91052	20.3
167.03482	12.6
181.05188	1.8
196.00166	6.5
203.96684	1.1
210.89958	2.8
211.02527	39.6
217.22665	1.5
224.67879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1136
Annotation	Mescaline
Peak:m/z	Relative Intensity
51.35482	3.6
53.71480	3.2
56.63464	3.0
63.59633	3.2
73.86954	3.0
94.02950	4.1
101.85094	4.1
121.02985	3.7
122.03296	8.6
124.04055	5.9
171.01210	4.4
210.11378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03469	2.0
59.01398	11.0
63.10927	2.0
65.02551	1.8
69.03463	24.3
75.70975	2.2
86.36258	2.1
88.32393	1.6
92.10172	2.8
93.80145	1.7
95.05057	2.5
108.05866	2.6
109.06568	2.3
111.08212	4.7
112.67812	1.7
121.02977	19.3
147.11810	2.4
153.09216	10.8
165.09265	2.7
165.12851	22.9
181.12364	29.3
191.10799	30.7
204.16002	2.5
209.11858	100.0
215.09883	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	209.1184
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
59.01392	91.7
61.97055	4.2
64.42486	4.8
71.01391	4.7
73.58619	4.6
86.80651	4.7
90.39278	5.0
91.81339	4.7
92.10203	6.6
97.06591	9.9
119.08696	35.8
121.02965	100.0
135.11826	20.8
147.11835	46.1
165.12833	5.6
175.37054	5.1
179.10849	12.1
191.10817	23.0
209.04521	9.4
209.11856	58.5
212.42609	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	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03446	1.5
59.01392	13.1
59.23994	1.1
69.03457	27.1
71.05037	1.9
83.05029	1.9
85.26157	1.4
88.97533	1.1
93.03459	1.6
95.05067	2.6
108.05818	1.6
109.06601	1.3
111.08170	2.9
121.02937	12.5
121.10258	1.2
132.95288	1.2
137.78683	1.3
147.11841	1.7
153.09232	7.2
163.11328	2.7
165.12836	20.2
173.09850	1.4
181.12335	22.2
191.10797	27.3
209.11856	100.0
210.12277	1.7
215.31450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	L-Altarate
Peak:m/z	Relative Intensity
55.01879	0.8
55.49405	0.4
57.03195	0.8
57.03453	14.8
59.01381	14.2
59.45240	0.4
67.01891	2.6
68.99817	0.4
71.01376	10.2
72.99310	1.9
73.02936	0.6
74.12528	0.4
75.00869	4.1
76.57443	0.4
78.95896	2.8
83.01389	4.0
85.02950	7.0
87.00872	100.0
88.01208	0.6
89.02458	3.1
96.96961	2.9
99.00864	4.3
101.02430	4.9
111.00883	6.8
113.58186	0.4
119.03571	0.5
121.02953	3.5
129.01942	14.0
137.02440	0.9
142.06372	0.5
147.03006	7.9
147.34865	0.5
191.01968	4.9
209.03009	0.7
216.54855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.91380	1.5
52.47946	1.6
55.01886	1.9
57.03458	4.3
59.01383	100.0
69.03455	92.0
71.01374	19.3
75.90161	2.1
81.03457	2.1
87.48060	2.1
89.02428	2.7
90.73116	2.0
92.10757	5.0
93.03480	3.0
95.05019	28.8
99.00852	23.9
101.02421	2.6
104.67835	2.0
106.04233	8.9
107.05061	3.2
107.08666	20.0
108.05814	4.0
109.06565	16.2
117.07076	2.0
119.05070	4.9
121.06590	4.2
129.01933	13.6
134.07370	10.0
135.08153	3.5
145.10204	14.6
147.03027	20.4
147.04529	9.8
161.09758	3.9
163.07683	3.2
163.11290	99.3
165.05537	3.1
179.10770	3.0
207.10306	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	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
57.03450	18.4
57.03708	0.8
59.01380	12.9
59.01654	0.7
59.59456	0.6
67.01904	2.3
68.45668	0.5
71.01371	11.3
71.01714	0.5
72.99319	2.4
73.02968	0.5
75.00863	3.8
78.95895	8.4
83.01374	3.8
85.02950	7.9
87.00871	100.0
89.01891	0.5
89.02402	3.8
96.96955	7.4
99.00880	5.9
101.02461	2.8
110.98546	0.9
111.00881	6.8
129.01935	14.8
138.82793	0.5
142.39168	0.6
147.02994	8.8
191.01996	5.6
191.08372	0.6
204.04221	0.6
207.06577	0.6
209.03096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.53923	0.8
55.49224	0.9
56.39119	0.8
58.02981	44.8
59.01400	1.9
61.09011	1.0
70.02974	10.2
72.00920	7.6
88.04218	1.1
91.05540	13.6
93.64593	1.1
147.04539	47.2
149.17941	1.1
149.29875	1.0
164.07185	100.0
178.15421	1.3
205.16046	8.3
206.08250	33.3
206.16341	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	207.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27884	0.4
55.01879	0.9
55.08599	0.4
57.03446	0.9
59.01384	39.1
67.39122	0.4
69.03461	0.8
71.01374	6.3
71.05016	0.7
71.42876	0.4
72.99299	11.4
73.02942	2.9
73.13633	0.4
75.00867	100.0
78.91891	6.9
78.95911	0.9
81.03451	4.2
83.01382	0.5
84.02179	0.5
85.02947	4.7
87.00862	7.0
88.98783	1.9
89.02441	6.5
90.98589	2.1
99.00883	2.2
99.04511	7.8
100.34919	0.4
101.02431	2.6
105.01268	0.7
105.01931	13.6
113.02443	12.7
114.78837	0.4
115.00379	0.5
117.01892	2.1
118.98116	0.5
127.03963	0.4
129.01915	2.3
131.03522	3.4
135.02998	62.1
143.98535	0.5
145.05077	21.5
147.03001	1.1
161.04556	0.7
163.02510	0.6
164.89505	4.4
165.02220	0.8
189.03973	2.3
206.85263	0.6
207.05074	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	205.0871
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
54.82524	0.3
59.01397	0.8
66.32223	0.3
87.73401	0.4
94.33449	0.3
96.58003	0.4
109.02947	0.4
122.03738	11.3
123.00828	0.4
124.01683	0.6
133.06613	0.7
137.02444	0.8
147.04538	13.3
148.05327	1.6
149.06104	0.5
154.02740	2.1
158.03722	0.4
161.06097	2.1
162.89377	1.5
175.04022	28.8
176.04805	100.0
177.05174	0.8
177.09222	0.9
187.07712	0.9
189.12891	0.7
205.08733	29.3
205.16005	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.51217	0.3
54.82901	0.5
57.20819	0.4
57.52573	0.4
59.18520	0.3
64.82557	0.4
73.20277	0.3
74.17387	0.4
76.57906	0.4
86.96444	0.4
97.43636	0.4
175.70274	0.4
189.12979	3.0
194.58560	0.4
205.16000	100.0
205.77469	0.4
206.16347	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	204.0666
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
51.26293	1.0
52.55251	1.2
54.82281	1.3
57.03445	1.0
59.01377	2.7
71.01396	1.0
72.99299	24.2
85.36246	1.1
92.10135	1.4
99.68256	1.1
100.79917	1.1
107.04990	1.0
112.65916	1.4
114.38144	1.1
116.05067	40.6
128.05052	22.0
130.06622	33.9
132.04506	2.4
138.12825	1.2
142.06628	40.8
144.04579	5.3
146.06143	1.6
147.73038	1.1
158.06119	85.7
162.89339	5.0
163.11330	1.3
169.12047	1.2
172.04063	5.6
186.05638	29.5
204.06670	100.0
205.06923	1.9
205.12260	1.4
205.16000	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79295	0.8
55.01890	0.9
59.01391	9.7
63.47159	0.9
67.01921	3.8
71.01398	5.3
71.05025	15.7
72.99315	16.1
73.02956	5.6
79.44600	1.0
79.72568	1.1
81.03476	7.3
81.86970	1.0
83.01388	2.5
83.05044	1.2
85.02940	2.3
87.00880	40.1
99.00897	5.6
99.04536	15.9
101.02449	16.8
111.00887	52.1
112.01242	1.3
112.19842	1.0
112.98798	2.2
115.00385	1.7
115.04056	1.6
125.02442	100.0
143.03514	9.3
145.01407	2.2
154.99870	6.2
164.20944	1.1
173.00928	5.0
187.02467	4.8
205.03575	16.0
205.15947	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	203.0828
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01390	7.4
70.85313	0.9
72.00914	19.4
74.02482	29.9
76.28348	0.8
103.92056	1.3
104.97707	1.2
107.88075	0.9
109.41496	0.8
109.68757	0.9
114.38362	0.8
116.05067	100.0
117.05348	1.0
125.20924	0.9
130.06635	3.9
130.94429	0.9
142.05565	1.6
142.06630	29.6
159.09303	12.4
159.97720	1.0
160.04057	1.2
186.05595	6.0
203.08284	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0303
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
55.83962	0.2
59.01380	0.9
61.98833	0.3
69.48496	0.2
80.28307	0.2
84.44032	0.2
91.01904	0.4
101.03213	0.2
116.05056	23.7
117.03511	0.3
117.05402	0.3
131.03757	0.5
132.04558	3.2
159.03238	3.3
159.91544	0.3
160.04042	100.0
161.04401	2.8
161.89418	0.4
162.89366	1.3
177.05623	0.3
204.03033	10.7
205.16043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01385	100.0
60.01704	0.7
65.79393	0.3
71.01395	4.5
73.02964	0.7
78.11879	0.3
83.01388	0.6
85.02964	1.8
86.62826	0.3
103.92036	1.9
113.02460	0.5
125.02387	0.5
130.94299	0.5
148.95425	1.2
160.89252	0.8
161.89360	1.1
174.99319	0.4
203.05673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32297	1.5
54.73403	1.4
57.03446	3.4
57.03923	1.6
59.01385	8.7
68.71388	1.7
69.03458	57.6
71.01382	53.7
72.99316	7.6
75.00893	6.4
79.01903	6.9
83.01395	2.4
85.02970	8.4
85.40265	1.6
87.00874	9.6
89.87744	1.7
95.01386	8.7
97.02944	86.4
99.00882	2.6
104.17548	1.8
111.00900	1.9
115.00371	3.4
115.04006	2.6
115.16380	1.6
123.00911	2.7
123.04456	1.9
129.01912	2.8
140.45059	1.6
141.01970	22.9
160.89270	9.2
161.89415	2.3
173.46063	1.7
187.08295	1.9
203.01993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.2
57.03455	1.1
59.01384	100.0
59.72331	0.6
69.03455	10.5
71.01381	68.6
73.02953	1.5
77.37113	0.9
81.03469	3.9
83.01389	9.2
83.05032	0.8
85.02950	17.9
87.00879	5.5
89.17465	0.7
92.10160	1.5
92.65692	0.7
97.02969	10.0
97.18094	0.8
99.00887	3.6
101.02470	1.0
103.92065	1.4
111.00832	1.1
113.02457	21.8
115.07642	1.5
115.93188	0.8
125.02454	8.2
127.48727	0.7
130.94356	1.3
143.03531	1.0
148.94333	0.7
155.03531	4.1
159.04611	0.9
165.18550	0.8
172.05319	3.7
173.06085	1.0
187.07680	13.7
188.07982	1.6
201.05637	1.3
202.06261	1.9
203.12981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98834	0.6
68.01989	0.5
69.03464	0.6
70.34409	0.5
71.05019	0.8
72.97211	0.5
80.72757	0.5
86.48154	0.5
89.69499	0.5
92.10180	1.3
97.06588	17.5
99.08157	5.3
109.06600	0.9
122.03728	2.9
137.09709	1.1
151.11311	0.9
151.65793	0.5
153.12865	100.0
154.13203	3.7
179.10791	25.6
197.02011	0.7
197.10155	0.7
197.11841	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1342
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
52.05770	0.4
54.15729	0.4
59.01383	1.0
85.05392	0.5
99.00846	0.6
156.89534	0.9
169.12379	5.6
181.12370	20.9
197.11833	0.7
199.13420	100.0
200.13773	2.8
205.95055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82189	0.4
59.01383	100.0
60.01714	0.7
62.92496	0.3
82.17032	0.4
95.16205	0.3
113.04566	0.3
115.02492	0.4
157.03558	5.3
159.01494	2.6
179.37042	0.4
189.30292	0.3
201.02567	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	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94849	0.6
59.01386	82.5
60.01738	2.7
79.19346	0.6
80.48012	0.6
99.92586	100.0
100.92619	3.3
103.92044	5.0
115.92079	1.4
116.92854	15.8
127.86909	0.7
130.94388	2.5
141.86826	36.9
141.93637	80.6
142.93690	1.4
148.95435	1.6
159.87889	23.7
159.89374	5.0
160.89285	3.9
164.83615	21.9
166.83276	6.8
176.95946	0.7
181.20471	0.7
201.80251	8.5
201.95811	6.2
202.02803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46580	0.6
53.88123	0.6
60.87177	1.2
69.03471	1.3
83.05020	1.1
112.01693	1.5
151.11406	0.9
153.09250	0.9
153.12856	4.5
153.26169	0.8
169.12340	17.0
179.10818	1.3
181.92667	1.1
197.11844	100.0
198.12180	3.9
204.66493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.64147	2.1
57.50574	1.4
58.21796	1.6
64.17747	1.5
70.15686	1.6
78.55077	1.9
92.10679	2.4
98.21399	1.6
115.63306	1.8
132.61377	1.8
153.09161	2.5
153.12900	4.2
169.12360	14.1
197.11848	100.0
197.13728	3.2
198.12230	2.1
214.23381	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	197.0972
Annotation	4-Phenethylphenol
Peak:m/z	Relative Intensity
54.48549	0.6
58.98869	0.6
60.66512	0.6
61.40128	0.6
61.98843	1.3
64.34402	0.6
71.01401	0.9
80.58414	0.6
97.05231	0.6
114.92628	0.6
116.92870	0.8
126.90481	3.6
130.99263	1.0
152.54100	0.7
160.84326	0.8
162.83968	3.0
182.07368	82.5
183.07674	1.2
195.08160	1.6
196.86359	2.6
197.09737	100.0
197.80780	1.2
198.10075	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	197.0457
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
51.41647	0.5
60.01356	0.6
65.40093	0.6
67.01902	10.5
69.03465	14.8
71.01382	0.7
78.95936	3.5
79.05537	3.1
79.09218	0.7
80.02695	1.2
80.96525	1.3
81.03466	15.5
81.49307	0.6
83.05042	0.8
87.02618	0.7
93.03478	1.0
95.01397	6.4
95.05029	17.9
96.96009	12.3
97.02952	29.7
97.06585	0.8
98.95596	9.4
98.96490	1.0
105.03520	0.8
107.05042	1.6
108.02199	1.5
109.02972	8.4
111.04554	5.4
116.92857	6.0
122.03766	5.6
123.04526	100.0
135.04538	1.4
138.94266	0.8
151.00334	0.8
153.01938	4.4
153.05586	58.6
180.09929	0.8
196.89548	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	195.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	27.7
69.03111	6.8
69.03454	100.0
72.65302	3.5
75.00871	4.3
83.05016	5.3
83.30169	3.9
89.16331	3.6
93.03421	5.8
95.05035	6.2
96.96041	10.3
97.43587	3.5
101.45824	3.9
115.24237	3.5
119.80610	3.6
149.09715	5.3
151.11310	49.5
159.08078	3.7
167.10745	17.4
177.09184	23.6
180.04202	4.3
193.54025	3.9
195.10278	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
56.59334	0.7
59.01394	3.8
61.98838	3.5
67.44321	0.7
68.88652	0.8
70.63692	0.7
96.21653	0.9
96.96028	1.8
97.43668	0.9
109.06607	5.2
111.08186	1.8
120.69974	1.0
152.94533	1.4
160.84244	5.0
165.94885	1.0
167.14485	8.5
179.10788	4.3
194.95572	1.4
195.13927	100.0
196.14278	1.2
198.40579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23648	1.7
67.59010	1.6
69.03478	1.8
70.95380	1.4
75.00910	2.1
80.26931	1.4
84.97462	1.5
85.96136	1.5
89.79265	1.3
91.73090	1.6
96.96008	2.8
104.69907	1.6
108.54485	1.6
114.86684	1.5
121.20418	1.5
123.08129	1.6
133.10254	3.8
149.09737	2.3
151.11324	7.5
167.10760	11.5
177.09230	3.7
180.07944	2.0
195.10303	100.0
196.10651	2.6
206.45901	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	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
53.53520	1.0
57.03456	5.4
59.01382	31.2
61.11855	0.9
71.01385	13.4
72.99314	9.4
75.00867	100.0
78.95898	23.6
80.96535	1.6
83.01397	1.3
85.02956	8.3
87.00871	22.5
89.02460	5.5
96.96954	45.5
99.00866	18.0
105.01932	4.4
111.00880	1.7
119.00018	1.1
129.01936	32.8
139.09509	1.0
141.01924	1.6
147.03018	1.4
149.14629	1.1
154.26103	1.1
159.02974	15.3
176.93724	2.2
177.04065	2.1
195.05109	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45901	1.5
57.03458	3.0
59.01377	25.5
66.65965	1.8
71.01365	16.8
72.99311	12.1
75.00867	100.0
76.57453	2.0
78.95902	2.4
85.02967	9.1
86.88105	1.8
87.00880	11.0
87.64153	1.9
89.02486	2.8
96.95999	92.6
96.96951	3.7
99.00870	21.9
111.00900	2.8
129.01930	36.7
159.03023	18.7
195.03455	4.1
195.05103	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22863	0.6
54.82360	0.6
55.01894	0.9
57.03461	9.5
59.01387	9.0
62.94774	0.6
67.01905	4.3
69.80315	0.6
71.01385	9.3
72.99281	1.1
73.02952	1.5
81.03464	0.7
83.01387	2.7
83.05019	0.9
85.02950	44.0
87.00872	65.0
89.02444	1.0
89.06033	0.7
92.10135	2.7
93.03443	9.2
96.32368	0.7
99.00883	1.6
99.04517	1.0
101.02428	2.8
109.02950	3.7
111.00877	49.3
111.04551	3.1
127.04000	6.3
129.01945	3.8
130.99913	0.9
142.40303	0.7
150.80530	0.7
155.03482	0.8
173.04550	1.2
191.02069	5.5
191.05620	100.0
192.06035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.108
Annotation	Ibufenac
Peak:m/z	Relative Intensity
56.80275	2.5
57.03460	6.4
59.01388	48.0
63.42412	2.5
70.18759	2.5
71.05031	12.6
73.02974	4.9
73.90736	2.9
80.60330	2.3
83.05038	3.8
85.02954	32.8
87.00874	42.2
92.10160	6.1
97.06604	18.0
106.04251	5.1
107.05047	10.8
109.62141	2.6
111.00890	63.4
118.99316	11.2
119.05059	4.4
121.02975	6.6
129.01985	3.1
130.19638	2.9
130.21400	2.7
133.06566	4.0
134.07394	6.2
135.08170	100.0
144.05829	4.3
147.08226	3.8
160.05392	3.2
161.09747	4.0
162.06822	19.2
163.11292	11.1
167.59328	2.3
171.08234	6.4
173.09708	14.7
189.09261	49.4
191.01997	4.7
191.03845	5.1
191.05632	47.2
191.07185	6.5
191.10774	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.45261	0.3
59.01391	3.1
61.44279	0.3
62.26598	0.4
64.26824	0.3
69.68051	0.4
73.02972	0.4
80.26052	0.4
84.32178	0.4
85.02955	1.4
85.39528	0.4
87.00896	1.6
111.00887	2.2
114.54653	0.4
119.05020	2.3
121.02957	100.0
121.99585	0.4
122.03269	1.7
147.04532	6.2
191.01942	0.8
191.03542	6.4
191.05453	0.9
196.69742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
58.00613	0.4
59.01391	5.1
62.08905	0.4
66.32229	0.4
67.01897	0.8
71.01408	2.9
73.02970	1.0
81.03472	0.9
83.05053	0.9
85.02959	27.6
87.00878	12.3
93.03461	8.6
99.00868	0.6
99.04568	2.0
101.02436	0.6
109.02956	2.9
111.04535	3.0
127.04024	6.2
127.63056	0.6
171.02946	1.0
172.31206	0.6
173.04530	2.2
189.43620	0.5
191.05629	100.0
192.05977	3.2
204.01918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	9.7
57.03693	0.8
59.01385	13.8
61.98239	0.6
67.01908	4.2
69.03472	1.7
71.01385	1.8
72.99302	19.9
73.02940	0.7
83.05045	5.2
85.02949	32.1
85.03448	1.1
85.06610	1.2
87.00872	56.8
95.82291	0.7
99.04543	1.2
100.70831	0.7
101.02448	1.5
103.42212	0.8
111.00885	100.0
111.04517	12.4
112.01265	0.9
113.02441	27.0
129.01978	5.9
129.05579	47.7
131.03511	6.7
155.03520	26.0
173.00911	1.7
173.04581	7.7
191.02003	10.7
191.05623	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74315	0.5
52.96934	0.5
56.02324	0.5
57.03458	8.4
59.01392	1.4
59.23941	0.6
60.31178	0.5
61.14943	0.6
67.01881	4.5
71.78523	0.5
72.57008	0.6
73.02962	0.7
79.86382	0.6
85.02953	32.5
85.03466	1.3
87.00873	56.0
88.01194	0.6
99.31982	0.6
111.00879	100.0
112.01215	1.0
129.01923	5.6
173.00974	1.5
191.01988	12.5
191.05623	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95676	0.3
54.47224	0.3
55.01875	0.6
57.03196	0.5
57.03453	10.1
59.01382	8.0
66.04704	0.3
67.01888	6.2
69.03436	0.7
71.01388	4.4
71.82095	0.3
72.99302	5.7
73.02956	3.4
75.00856	0.4
81.03458	0.7
83.01380	1.8
83.05032	2.1
85.02949	50.1
87.00871	78.5
89.02436	0.6
93.03439	5.0
99.00815	1.3
99.04509	0.8
101.02431	2.5
106.48727	0.3
109.02971	0.9
111.00881	100.0
111.04479	4.7
112.01218	1.6
113.02457	5.0
117.01930	0.8
127.04010	4.1
129.01924	7.5
129.05579	10.1
131.03535	0.7
140.12332	0.4
154.99869	1.6
155.03529	5.8
171.03024	1.5
173.00871	2.4
173.04604	3.0
173.05852	0.5
187.82468	0.4
188.74309	0.5
191.02007	13.9
191.05617	73.6
192.05986	0.9
197.40422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0557
Annotation	Diplosoma ylidene 2
Peak:m/z	Relative Intensity
54.31151	1.1
54.82394	1.0
55.01889	3.0
59.01387	2.0
71.01385	4.9
71.27574	1.0
72.41174	1.2
72.99315	2.0
91.43618	1.2
102.37362	1.2
115.05547	33.8
117.03462	31.1
119.05025	8.1
131.05026	79.9
132.05342	1.3
133.06599	100.0
134.06856	1.5
143.05005	5.0
145.06572	2.7
147.04523	5.2
161.06078	26.8
171.10283	14.5
189.05573	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01028	0.1
55.01881	1.0
57.03453	3.7
58.00595	0.2
59.01384	8.5
60.99305	0.2
64.30114	0.1
67.01891	2.0
68.99807	0.1
69.03436	0.9
71.01379	7.9
72.99306	1.3
73.02951	1.6
75.00869	0.5
78.95892	0.1
81.03451	1.7
83.01370	1.5
83.05021	1.8
84.05866	0.1
85.02947	32.1
86.03271	0.1
86.48961	0.1
87.00870	36.6
88.01199	0.2
89.02416	1.2
90.04985	0.1
93.03448	10.3
95.01382	0.3
96.02186	0.1
96.58922	0.1
97.02935	0.2
97.09909	0.1
99.00854	1.4
99.04507	1.6
101.02425	2.4
103.00377	0.1
104.05135	0.1
109.02943	3.0
111.00877	2.3
111.04516	3.0
113.02465	0.4
117.01894	0.1
125.02387	0.2
127.04002	6.5
129.01910	1.1
129.05629	0.1
129.16776	0.1
137.02417	0.8
143.03517	0.2
147.03027	0.1
155.03508	0.2
171.03027	1.6
173.04552	2.2
191.05623	100.0
192.05969	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03454	4.1
59.65961	0.4
66.95168	0.4
69.03428	0.5
70.45776	0.4
86.14845	0.4
92.48013	0.4
95.05022	0.6
97.06582	13.2
107.70807	0.4
123.08171	7.8
125.09723	100.0
126.10046	1.0
143.10785	2.4
167.16785	0.4
169.08723	2.8
187.09775	45.6
188.10106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.14690	0.5
55.01899	1.1
55.63709	0.6
57.03461	4.2
59.01395	1.2
68.99821	0.9
71.01402	3.8
75.41529	0.6
96.99324	3.0
97.06590	12.4
99.00892	1.0
115.00394	1.0
120.02353	0.7
123.08181	7.6
125.09721	100.0
126.10063	0.8
141.86780	1.1
143.10777	1.6
159.87701	0.9
168.97794	0.8
169.08656	2.5
186.31073	0.7
187.08072	1.5
187.09770	44.1
192.17549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.31810	0.4
57.30074	0.4
58.45698	0.4
59.01390	0.9
61.98848	2.6
74.74794	0.6
91.61948	0.5
97.00852	0.5
99.92622	1.1
123.94672	0.7
141.86823	7.8
144.04559	100.0
145.04898	3.1
145.57744	0.6
159.87915	4.6
188.03572	2.3
188.85388	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.84449	1.8
51.13880	1.7
51.64422	1.5
55.01903	3.0
57.03467	2.9
59.01397	9.8
61.98851	3.6
71.01398	10.1
82.35323	2.0
96.99329	3.0
97.06606	12.3
99.00915	4.3
99.92601	2.0
105.66579	2.2
123.08130	4.0
125.09717	100.0
127.87032	2.1
141.86874	15.4
142.89412	3.2
159.87877	4.9
187.09752	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.30173	0.6
55.01880	0.9
57.03455	4.0
58.00919	0.8
59.01389	1.3
59.25375	0.6
61.98823	1.3
65.60204	0.6
66.45130	0.7
69.71593	0.7
71.01385	3.7
76.63640	0.7
90.26556	0.7
96.99326	1.8
97.06577	14.4
99.00910	0.8
99.92600	1.0
123.08143	9.2
125.09721	100.0
126.10056	1.0
141.86832	5.2
143.07027	0.8
143.10777	1.4
152.51030	0.8
159.87883	1.4
168.97797	1.2
169.08736	1.2
187.09778	41.9
187.11282	1.5
203.14359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11900	0.8
54.71681	0.8
56.10770	0.9
59.01384	87.7
91.72540	1.1
92.10055	2.1
115.02522	4.5
117.00452	11.4
124.91185	1.0
127.87033	1.1
140.32355	1.3
142.89436	2.5
144.99940	2.0
159.01501	100.0
160.01602	5.1
187.00967	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.62550	0.9
55.01884	1.5
57.03463	4.8
59.01385	2.7
64.72939	1.0
68.99857	1.2
71.01400	5.7
78.45416	1.1
79.77885	1.0
96.99335	2.7
97.06576	13.7
123.08176	7.7
125.09724	100.0
156.41458	1.3
159.87846	1.5
168.97807	2.6
177.60664	1.2
186.98892	1.4
187.09776	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.9856
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
50.27420	0.3
74.19979	0.3
75.71934	0.3
78.95901	100.0
84.95979	0.3
87.00893	0.5
88.95635	0.3
92.10006	0.4
96.96956	99.3
97.02979	0.5
104.16364	0.4
110.98521	5.3
113.24759	0.4
166.97508	2.0
184.98575	7.5
185.02229	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	185.1546
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
59.01389	2.1
68.99831	1.3
77.47680	1.5
80.44930	1.3
89.04642	1.2
97.02970	1.9
112.98810	5.5
122.94930	1.4
123.03030	1.5
140.89685	2.2
143.75212	1.4
185.15488	100.0
186.15813	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	186.0562
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
53.18444	0.3
69.53924	0.4
75.31682	0.4
76.52223	0.4
80.84389	0.4
89.99011	0.4
105.88728	0.4
115.56140	0.5
116.05058	2.0
142.06627	100.0
143.06966	2.3
186.05576	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	183.1028
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.46251	1.4
59.01387	13.7
59.09752	1.2
61.02155	1.6
63.02412	7.1
65.00334	1.8
68.99564	2.1
71.01398	1.6
71.05019	3.4
80.64862	1.5
83.04997	1.5
92.10127	1.8
107.01426	3.9
109.06589	22.0
111.00885	2.0
111.08166	7.6
127.07646	100.0
129.43242	1.5
137.09711	2.0
139.11296	3.6
151.00401	3.1
165.09259	3.7
169.01431	2.4
183.07765	2.3
183.10278	68.7
184.10573	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	183.1028
Annotation	Crocusatin K
Peak:m/z	Relative Intensity
53.66852	4.7
55.01891	10.7
57.03465	13.8
60.93857	4.8
63.24383	4.4
65.19022	4.4
67.01929	5.6
69.14532	5.8
71.01407	8.0
78.92580	5.9
83.01392	5.2
84.02161	43.3
84.61819	5.1
85.01330	4.7
85.02960	100.0
111.00916	9.4
115.07664	53.1
127.59775	6.2
137.02435	6.5
137.09724	36.6
139.11278	12.2
155.10802	71.5
165.01949	10.2
183.10254	30.8
183.13910	63.2
183.78447	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	183.1026
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.27131	2.7
51.97309	2.2
52.95019	3.0
55.67723	2.4
59.01388	100.0
67.05553	3.8
71.01398	18.2
93.07097	30.4
98.32140	2.8
107.08700	3.0
110.26877	3.2
121.10239	35.1
137.09657	3.4
138.91525	3.7
139.11334	6.9
153.09209	22.8
155.10768	6.6
164.35750	2.7
165.09221	42.8
183.00394	3.0
183.10297	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	18.4
58.22993	1.7
60.50588	1.7
65.00348	2.1
67.01925	2.1
70.17942	2.0
81.67899	1.8
83.01396	100.0
83.01883	3.6
85.03003	2.3
85.06617	1.8
88.33968	1.7
103.17407	2.0
111.00887	7.4
113.09726	48.6
113.10444	2.7
121.10244	7.8
165.01942	8.4
189.41356	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	179.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.8
59.01383	100.0
70.57670	1.7
71.01379	33.6
73.56873	2.0
75.51105	1.8
85.02997	2.6
89.02437	17.4
95.36893	1.9
98.20932	2.4
101.02406	2.6
107.15253	2.6
135.04578	9.9
135.11804	4.9
161.09789	2.3
179.10764	11.7
189.08377	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	179.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
71.01379	30.2
89.02445	13.4
107.08640	6.0
135.04570	3.9
135.11821	6.5
179.10796	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	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
51.87399	0.4
53.96169	0.5
54.09302	0.4
60.03162	0.5
65.11436	0.5
79.50580	0.5
79.95739	1.1
92.05071	4.6
94.02969	0.9
94.18247	0.6
108.04562	61.4
109.04897	1.2
120.04560	5.5
122.02482	2.1
123.03296	0.8
136.04089	1.3
138.05612	100.0
139.05949	3.8
150.55698	0.7
182.03069	0.7
182.04593	19.9
197.67282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
58.00599	5.3
58.93743	0.6
59.01382	100.0
59.64281	0.6
66.38470	0.6
67.27632	0.7
71.01378	71.4
72.99319	4.9
75.00883	1.3
77.39039	0.6
82.77930	0.6
85.02950	6.3
87.00869	1.0
89.02440	35.9
92.10854	2.5
95.01418	1.5
101.02444	6.5
113.02415	6.2
119.03463	1.0
166.54778	0.8
174.83284	0.8
179.05696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84369	0.6
55.01880	1.3
58.00592	1.5
59.01383	100.0
71.01377	47.5
71.01778	1.1
72.01701	0.9
72.99318	3.4
75.00892	0.8
80.37054	0.6
85.02934	8.2
87.00851	2.8
87.11560	0.6
89.01883	1.1
89.02434	25.4
90.98589	3.3
95.01377	2.8
95.19181	0.7
99.59235	0.8
101.02434	8.1
113.02434	6.7
119.03484	5.9
121.65862	0.8
135.04518	1.3
142.84100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.00592	0.6
59.01390	28.6
68.68642	0.4
71.01391	19.1
72.99324	0.7
73.61835	0.5
78.95924	2.9
85.02953	0.8
87.00888	0.6
89.02447	11.1
92.10470	4.0
95.01379	0.6
96.96008	23.4
96.96964	2.7
101.02438	2.7
102.18522	0.5
107.05007	0.8
107.88421	0.5
110.31393	0.5
113.02431	2.4
117.03452	0.5
134.03749	7.9
135.04526	100.0
136.04845	1.0
136.94096	0.6
165.89148	0.5
179.03508	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	179.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31397	0.8
55.01888	0.8
55.78525	1.0
58.00602	3.6
59.01382	100.0
69.97556	0.7
71.01379	56.7
72.88094	1.0
72.99310	4.5
73.02978	1.4
74.35728	0.9
78.95908	4.0
83.01392	1.0
85.02949	8.3
86.51038	0.8
87.00904	1.4
89.02438	30.6
89.02935	1.5
90.98616	5.9
95.01426	4.0
96.96015	23.9
96.96965	2.0
101.02448	9.7
113.02434	7.9
119.03480	1.8
126.70855	0.9
134.92731	0.8
135.04532	6.0
149.00087	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	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01545	0.2
50.43761	0.2
54.82532	0.2
55.01879	0.4
55.29500	0.2
57.03448	0.4
57.14355	0.2
58.00587	0.6
59.01382	28.5
64.34257	0.2
71.01376	22.8
72.99302	1.4
73.83752	0.2
78.02477	0.2
78.39819	0.2
83.01396	0.5
85.02933	2.8
87.00861	0.5
89.02432	10.9
91.77273	0.2
95.01397	0.5
96.96014	2.6
96.96997	0.3
101.02419	3.2
107.05030	2.0
110.80915	0.3
113.02454	1.6
114.72175	0.3
117.03449	0.5
119.03459	0.4
134.03735	8.3
135.04523	100.0
136.04872	2.2
179.03511	14.4
180.03902	0.3
199.21727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.76171	0.2
55.01891	0.3
59.01386	18.9
63.56521	0.3
65.40241	0.3
66.44150	0.3
71.01384	14.4
72.99322	1.1
83.01371	0.5
85.02971	1.5
89.02452	7.0
89.04002	0.4
93.03482	0.3
96.96022	0.4
101.02461	1.9
107.05040	2.5
112.54339	0.3
113.02471	1.7
117.03481	0.7
119.04927	0.3
133.03024	0.3
134.03745	9.9
135.04535	100.0
136.04861	1.5
179.03516	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	178.9633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08831	0.2
59.01390	1.3
65.73721	0.2
71.01377	0.5
76.78447	0.2
78.95899	35.6
79.95746	1.1
95.80961	0.2
96.96010	100.0
96.96958	51.0
97.95943	0.3
130.55948	0.2
136.94020	2.8
151.92690	0.4
178.95033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86635	0.2
56.54329	0.2
57.94992	0.2
59.01382	8.9
70.21710	0.2
71.01382	5.4
72.42617	0.2
72.99323	0.2
73.02968	0.2
74.32797	0.2
75.93034	0.2
87.00938	0.2
89.02443	2.7
96.95986	0.8
101.02415	0.4
119.93685	0.3
134.96083	8.3
135.96149	0.3
136.94008	100.0
137.94080	4.8
138.94392	0.2
151.92722	15.9
152.92760	0.4
154.95068	0.8
178.95068	38.0
179.95111	2.3
196.96196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58680	0.4
59.01107	0.8
59.01383	15.1
60.80652	0.4
68.53663	0.4
77.03976	2.1
81.03455	2.4
87.00870	0.5
88.54478	0.5
89.03968	11.2
93.03470	2.0
95.05026	4.7
105.03460	24.8
116.99153	0.5
121.02947	1.0
123.04517	1.0
133.02956	49.5
134.03284	1.0
139.04007	1.0
149.02438	5.9
162.03224	0.5
177.01942	100.0
178.02289	2.2
196.58788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80338	0.4
54.84818	0.4
58.10999	0.4
59.01384	15.4
59.01658	0.9
60.40213	0.3
65.34132	0.4
66.65819	0.5
77.03977	2.9
81.03468	2.8
89.03964	13.0
93.03454	2.4
95.05023	5.7
105.03458	27.4
121.02932	1.1
123.04530	0.6
133.02954	49.9
134.03268	0.6
145.40170	0.4
149.02452	5.3
162.03247	6.7
165.16273	0.5
177.01933	100.0
178.02336	1.8
196.94702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.80566	0.7
54.82750	0.6
59.01394	39.8
59.01695	1.3
71.01382	1.4
76.41503	0.7
77.03963	7.3
81.03459	1.5
89.03974	10.8
93.03460	5.3
95.05022	13.4
95.40105	0.8
98.88645	0.9
105.03463	46.0
121.02995	3.1
123.04506	3.9
125.40123	0.8
132.02232	1.2
133.02957	96.9
134.03333	1.1
135.04510	3.1
136.04910	1.1
147.04572	1.9
148.05330	3.1
149.02448	4.9
149.06084	4.9
150.03227	1.2
162.03191	3.8
166.73827	0.8
170.72495	0.8
172.86243	0.9
177.01945	100.0
177.05577	5.2
178.02318	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50745	0.3
51.55040	0.3
51.85451	0.3
59.01386	3.1
71.01379	1.9
81.70522	0.4
82.41413	0.4
88.20279	0.3
92.40703	0.4
96.04937	0.4
96.95374	0.6
96.96000	17.1
96.96598	0.7
134.96092	12.1
135.96172	0.7
136.78816	0.4
136.94006	100.0
137.94069	5.7
139.14638	0.4
149.90065	0.4
151.92717	16.9
152.92769	0.6
178.95067	40.1
179.95224	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	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.01895	0.9
55.96764	0.5
56.75030	0.4
57.03462	0.8
57.84382	0.5
59.01395	7.2
67.01908	2.6
67.19688	0.5
69.03490	0.5
71.01378	1.0
72.99307	17.5
72.99690	0.8
73.02951	3.4
73.23850	0.6
83.01401	2.6
83.05027	5.5
85.02953	100.0
85.06586	2.2
86.03301	1.0
93.03436	7.4
94.42322	0.5
99.00871	2.6
99.04519	3.8
101.02449	2.6
111.00883	32.7
111.04521	28.8
125.02476	0.7
129.01938	15.6
129.05557	8.6
132.58038	0.5
137.02420	2.4
143.99573	0.6
150.37891	0.5
154.99866	2.6
155.03510	22.0
173.00920	2.9
173.04610	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	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
59.01382	100.0
60.01704	0.7
60.16815	0.3
71.01389	0.4
72.99347	0.3
73.02930	2.7
83.05025	0.8
85.02956	0.6
85.06586	26.3
85.07107	0.9
86.06940	0.4
93.03455	7.0
99.00938	0.6
99.04491	0.6
111.04514	1.8
113.06088	14.0
131.07133	99.9
132.07480	2.9
137.02481	1.4
155.40732	0.4
173.04469	0.7
193.96480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
59.01384	67.3
71.01385	33.0
71.01737	2.5
72.99323	3.3
73.02954	2.7
85.02958	2.0
87.00883	100.0
93.03458	3.3
113.02446	2.3
115.00389	90.1
121.46706	1.8
124.98801	1.9
128.44987	1.9
131.32564	1.7
134.03857	1.6
135.04533	10.6
137.80669	1.7
174.89052	2.7
175.02509	19.8
175.06097	2.2
179.03549	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
52.58930	0.7
55.01871	1.0
55.08601	0.7
59.01382	8.9
65.08016	0.7
67.01895	1.9
68.99828	4.0
71.01385	6.6
72.99303	6.4
73.02956	3.0
74.99955	0.7
83.01388	6.6
85.02949	100.0
86.03310	1.1
90.39343	0.8
93.03464	3.8
99.00912	4.0
99.04517	1.6
101.02443	3.3
106.12505	0.8
109.61930	0.7
111.00882	33.8
111.04530	9.8
112.32855	0.7
112.98845	5.3
119.66637	0.7
120.11090	0.8
123.23929	0.7
129.01936	20.3
129.05537	1.3
137.02371	1.1
142.99915	2.8
154.99884	1.7
155.03532	8.2
173.00906	5.2
190.27603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01895	15.4
57.03464	5.1
57.94002	0.5
59.01101	1.4
59.01387	22.4
65.03960	1.1
67.01897	6.3
68.99824	31.3
69.03468	3.1
71.01386	30.6
72.99308	43.2
73.02946	32.5
78.95911	5.8
79.73666	0.6
80.96333	0.7
81.03473	4.3
83.01389	40.0
83.01885	1.3
83.05029	27.3
85.02954	39.3
85.03458	1.6
85.06585	9.9
87.00874	10.2
93.03455	58.4
96.96966	10.9
96.99300	0.7
99.00876	18.4
99.04512	10.7
101.02425	8.7
111.00885	100.0
111.04522	68.8
112.01231	2.7
112.04829	0.9
112.98825	12.4
124.98788	3.4
125.02444	1.0
127.03985	1.4
129.01939	32.1
129.05574	57.6
130.05026	0.7
137.02452	14.9
142.99886	5.9
143.03448	1.2
154.99876	4.2
155.03513	31.9
173.00949	14.3
173.04553	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	173.0454
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
51.74960	1.1
55.01884	12.9
57.03452	2.2
58.00602	1.6
59.01382	15.5
64.33532	1.1
65.03965	2.3
67.01900	6.1
67.59643	1.1
68.99816	27.2
69.03441	2.3
71.01378	29.5
72.99306	33.5
73.02943	46.7
78.95911	7.0
81.03464	5.5
83.01388	34.9
83.05026	30.2
83.14689	1.2
85.02946	34.0
85.06592	9.0
87.00871	2.9
93.02854	3.0
93.03448	87.4
96.96957	6.7
99.00872	18.0
99.04506	11.8
101.02451	9.8
101.06039	2.1
111.00879	100.0
111.04520	58.4
112.01226	2.1
112.98816	8.8
114.38712	1.4
116.09167	1.2
128.61618	1.3
129.01941	26.9
129.05579	39.3
129.06458	2.6
137.02448	21.2
142.99866	5.7
143.03502	1.4
154.99876	7.9
155.03502	25.8
173.00870	11.7
173.04558	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01879	3.5
57.03458	3.8
59.01406	2.1
60.91768	1.5
69.03434	2.2
71.01398	1.6
71.05014	27.3
77.42906	1.6
77.86782	1.9
83.05045	7.3
96.68526	1.6
97.06628	3.1
99.08153	100.0
125.09718	31.7
127.07657	13.9
127.11290	59.0
140.73024	2.2
147.11699	2.3
153.09229	11.3
171.02037	7.5
171.10284	49.5
171.13965	2.1
180.94397	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34386	0.5
51.54877	0.6
54.74358	0.5
55.01886	4.1
57.03455	0.8
59.01385	3.0
64.34047	0.6
65.95726	0.6
67.01884	2.8
68.99812	10.2
71.01381	4.6
72.99329	0.7
73.02938	4.4
83.01385	15.6
83.05036	1.2
85.02946	100.0
86.03286	1.6
87.00891	1.1
93.03437	5.6
99.00872	3.1
101.02431	2.9
111.00880	40.7
111.04508	3.3
112.01241	0.8
112.98801	1.5
129.00948	0.9
129.01926	26.6
137.02438	0.9
142.99890	0.8
155.03506	1.1
173.00922	5.8
173.04529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.17448	0.7
50.51136	0.8
51.93467	0.6
64.17413	0.7
70.61285	0.8
70.83195	0.9
77.48257	0.7
99.08124	1.1
125.09704	3.0
127.11279	5.7
129.42567	0.8
153.09225	1.1
171.10271	100.0
172.10593	3.5
175.45111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
58.48082	2.8
67.00410	2.8
67.28162	2.6
68.32307	2.8
69.92120	2.9
71.05021	38.7
83.05001	3.8
92.10110	9.6
99.08176	4.7
125.09715	4.6
127.07685	5.0
127.11304	100.0
153.09244	23.9
171.10278	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
55.01891	5.1
59.01386	1.2
68.99862	0.7
71.01392	1.2
83.01411	1.0
88.43744	0.6
88.98792	0.7
89.02446	3.2
99.00871	3.8
99.92575	7.0
109.03027	0.8
125.09694	2.4
127.07639	3.9
127.08503	0.7
127.11278	6.0
134.86545	2.7
136.86272	3.7
152.98267	1.0
153.09267	1.2
171.01968	0.8
171.10274	100.0
171.90997	1.0
172.10620	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	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
54.63663	0.9
55.01886	9.8
59.01391	2.1
68.99827	1.5
71.01362	1.3
86.57561	1.3
88.98796	5.6
89.02458	6.1
91.29829	1.2
99.00857	8.3
99.92580	24.6
115.92104	1.2
125.01575	1.1
125.09756	1.6
127.00368	2.4
127.07656	6.6
127.11275	6.8
131.86546	1.0
134.86578	2.4
136.86246	1.9
138.32079	1.0
138.36807	1.3
153.09186	1.4
171.02002	4.4
171.10271	100.0
171.91060	5.9
172.10583	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
54.27989	0.7
54.82946	1.2
55.01894	7.2
59.01394	1.7
65.00346	1.7
71.72802	0.8
76.91341	0.9
83.01427	1.5
88.98824	3.8
89.02468	1.9
99.00900	6.2
99.08079	1.2
99.92593	18.1
115.92116	1.3
127.07661	6.2
127.11289	4.0
134.86545	2.0
136.86302	4.0
152.98233	1.1
170.99243	1.2
171.01970	2.3
171.10284	100.0
171.13881	1.7
171.91071	2.2
172.10574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9811
Annotation	(R)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
51.06615	0.5
51.48155	0.5
53.31011	0.5
71.01381	100.0
72.01724	0.7
76.39758	0.5
78.95909	6.8
79.95740	0.8
80.96521	40.9
87.00893	2.8
94.98079	0.7
96.96013	3.4
96.96967	0.9
102.23799	0.6
105.19503	0.6
106.98090	1.4
118.72563	0.6
122.97556	1.0
125.02439	1.4
150.97078	56.3
151.97368	0.8
168.98132	65.1
169.01328	2.3
169.98409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01878	6.6
56.16973	0.5
56.29262	0.5
59.12848	0.6
60.12768	0.5
69.03456	5.8
71.05019	28.1
71.05408	1.0
80.02703	1.2
81.03488	0.8
83.05022	7.5
91.81373	0.6
92.10708	0.8
95.05062	1.0
97.06583	0.9
97.08037	0.5
98.28986	0.5
123.08168	11.4
125.02443	3.4
125.09720	100.0
126.10078	3.3
169.01445	1.2
169.08720	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14251	1.6
50.99442	1.8
58.02982	100.0
66.76726	2.4
73.81172	2.0
125.02447	15.5
139.75082	2.7
168.13921	8.7
168.98221	2.6
169.01405	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	167.035
Annotation	DHMAL
Peak:m/z	Relative Intensity
50.58220	1.9
52.65199	1.9
54.60677	1.8
60.84079	1.9
68.99133	2.2
78.95901	71.1
81.03481	4.3
92.65553	2.9
93.03492	9.9
95.01408	4.0
95.05019	15.9
95.99281	2.0
95.99907	2.2
97.02962	3.9
105.10712	2.2
108.02207	29.1
109.02959	11.3
117.96198	2.3
121.02954	13.7
122.03720	3.8
123.00909	4.2
123.04531	100.0
125.02448	3.0
132.86787	5.0
134.47037	2.3
137.02405	4.9
138.03238	3.7
139.03999	27.2
140.02490	2.7
149.02419	10.9
152.01160	47.1
167.03510	96.7
167.07240	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	165.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89444	1.9
62.57297	1.7
65.99851	2.2
74.99082	4.6
77.03948	2.4
79.94511	2.1
82.95428	3.6
91.02204	4.8
93.00122	9.5
93.99342	3.2
105.19279	2.4
121.02950	100.0
137.02487	14.8
144.89063	2.3
149.00966	93.7
150.00996	3.1
165.01968	21.4
165.04007	10.4
178.14926	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	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
64.34427	1.4
70.17243	1.4
71.25846	1.1
72.99307	30.7
81.92607	1.3
91.05545	2.6
92.65615	1.3
94.49099	1.2
99.90840	1.4
101.04013	2.0
104.16603	1.4
119.05017	34.9
120.05378	1.3
121.02975	7.3
147.04538	100.0
148.04918	2.0
165.04294	2.2
165.05577	27.5
168.96626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.22209	0.3
51.15172	0.4
52.58410	0.4
52.84548	0.3
56.79623	0.3
67.01895	0.8
68.99829	0.5
71.01384	0.5
78.95917	0.6
83.01399	1.8
95.01381	3.4
107.01388	0.8
108.02160	8.3
111.00880	12.9
114.39047	0.4
123.00887	5.7
123.04526	0.6
124.01666	11.0
139.00346	3.0
152.01149	27.7
153.01488	0.9
167.03493	100.0
168.03813	4.3
180.08539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalate
Peak:m/z	Relative Intensity
55.01890	5.5
59.01389	4.3
60.75813	0.7
67.01882	0.6
69.22021	0.6
71.01392	1.3
72.99324	1.3
75.00871	13.2
77.00656	1.5
77.03960	7.3
79.95754	5.2
82.38912	0.7
85.02962	5.2
87.00874	8.9
93.03489	0.9
94.02992	1.0
99.00922	1.0
105.01942	5.0
108.04556	1.4
119.04995	0.9
121.02951	100.0
122.02482	9.3
122.03300	3.2
129.01944	9.7
134.69756	0.9
137.02463	1.1
138.05650	1.3
142.15331	0.7
147.89287	0.9
164.89578	21.2
165.01912	8.6
165.04073	9.0
165.05368	1.4
166.01715	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	165.0405
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
57.03450	3.7
59.01383	19.4
62.70707	1.9
71.01400	9.9
72.99315	13.7
73.02945	2.0
74.39973	1.7
75.00867	100.0
78.95907	3.4
84.40594	2.1
85.02943	1.9
87.00873	65.9
87.01374	3.1
89.02447	3.4
96.96953	4.1
99.00891	11.8
101.02435	3.4
105.01939	53.9
105.02634	2.3
129.01970	8.2
146.53409	2.0
147.03026	17.1
165.04045	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
62.24443	0.5
70.69822	0.5
76.40170	0.5
77.03976	2.7
89.71547	0.5
93.03462	2.6
121.02949	100.0
122.03312	2.6
153.46884	0.5
164.83611	2.5
164.89537	0.6
165.01962	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	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
57.40580	0.2
59.01389	0.4
65.60442	0.2
72.97562	0.3
75.00848	0.6
77.03965	7.3
77.17484	0.2
79.90857	0.2
92.10123	0.3
92.10620	1.0
93.03452	1.8
96.95994	0.6
121.02946	100.0
122.03294	3.5
123.04479	0.3
137.02481	0.6
140.67096	0.3
164.83630	1.9
164.89531	0.6
165.01945	6.2
165.04037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.87759	0.8
65.55923	0.9
72.00901	37.5
72.01274	1.4
78.23645	0.9
91.05515	1.9
95.58234	1.0
114.38586	0.9
121.02953	1.2
134.05846	1.1
135.21500	1.0
147.04527	100.0
148.04826	1.7
164.07178	50.3
165.07486	1.5
181.52213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	Tricaine
Peak:m/z	Relative Intensity
60.68584	0.3
61.87171	0.3
64.34159	0.3
65.32315	0.3
67.63836	0.4
76.91322	0.4
77.03992	2.0
80.05061	4.3
86.68998	0.4
94.16702	0.5
100.84192	0.4
108.08210	2.3
109.61509	0.4
120.04551	1.7
120.05370	2.1
121.02952	27.7
121.05334	5.8
124.04044	0.5
135.03282	0.5
136.04062	2.3
136.07683	17.6
137.04832	2.9
149.04845	5.1
152.03510	0.7
153.04343	2.9
155.98924	0.4
164.03514	4.1
164.07181	100.0
164.89632	0.7
165.01921	2.8
165.07527	2.8
181.03787	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67998	0.3
62.07243	0.3
63.30700	0.3
63.97802	0.3
74.55038	0.3
89.80007	0.4
93.03465	1.9
118.99293	0.4
119.05031	100.0
120.05363	2.8
135.04497	0.3
154.53949	0.4
162.89311	0.6
163.04002	7.7
164.04362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.17749	0.3
58.49177	0.4
58.72264	0.5
58.78319	0.5
59.01396	0.7
63.27624	0.4
65.87434	0.4
68.70625	0.5
75.81740	0.4
93.03462	1.9
119.05025	100.0
120.05351	2.3
128.29512	0.4
162.89291	0.5
163.03999	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52067	6.6
59.01376	7.8
71.76450	6.5
75.36185	8.0
78.25014	6.3
79.43591	6.7
84.24313	7.7
92.10172	12.8
104.99503	7.2
116.92122	51.7
118.99239	100.0
119.05022	45.1
163.11310	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.31695	0.6
53.98117	0.6
58.20168	0.6
59.01395	2.8
66.23611	0.8
67.29847	0.6
75.00866	1.0
78.25144	0.8
81.96548	0.7
92.10770	0.7
93.03461	3.3
100.94361	0.7
102.98590	1.5
118.99249	1.1
119.05022	100.0
120.05388	1.4
124.63000	0.7
162.83907	16.2
162.89307	7.4
163.04019	8.6
163.11226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06549	0.4
52.35892	0.4
59.01382	0.8
59.09835	0.4
62.29743	0.4
64.83329	0.4
68.48190	0.4
73.46439	0.6
91.05540	3.5
93.03469	1.0
98.88501	0.4
119.05025	100.0
120.05336	3.7
135.04517	0.6
138.29028	0.5
162.83965	0.6
162.89220	0.6
163.03993	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	163.04
Annotation	3-Oxo-3-phenylpropanoate
Peak:m/z	Relative Intensity
50.76103	0.6
51.77249	0.5
55.11692	0.6
55.84542	0.6
57.03460	0.8
58.99617	5.5
59.01383	7.2
65.10112	0.7
68.04710	0.7
71.01392	3.4
72.27786	0.7
72.99320	1.4
73.02952	1.8
74.99120	1.4
75.00877	70.4
79.95757	1.5
80.57040	0.7
83.01401	0.8
87.00870	1.1
93.03480	1.1
98.93159	0.9
101.02428	5.5
102.98592	7.8
103.00387	6.5
105.01939	9.1
105.37361	0.7
115.00433	0.8
119.05024	100.0
120.05378	0.8
145.01402	2.9
145.89082	3.1
158.32950	0.8
162.89236	28.7
162.90387	6.8
163.02510	3.8
163.04010	7.1
163.06085	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
71.88912	0.8
83.84943	0.8
83.87833	0.8
91.05520	100.0
92.05870	1.8
92.10695	1.2
101.75142	0.9
119.05006	16.8
132.86845	1.2
135.04498	9.8
162.89374	1.0
163.03981	4.4
179.03528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	Isosafrole
Peak:m/z	Relative Intensity
52.60488	1.4
54.35004	1.5
55.01899	4.1
57.03461	9.0
57.93288	1.4
58.00623	2.1
58.11766	1.5
59.01385	100.0
64.87188	1.7
66.56539	1.6
69.03473	3.1
71.01379	55.6
72.99327	9.2
73.02945	87.9
75.00882	2.0
81.03488	6.9
83.01388	24.0
85.02958	40.3
85.03448	1.8
85.36847	1.9
89.02480	4.1
95.01381	3.6
96.11809	1.7
97.02964	2.4
101.02428	19.4
113.02473	11.8
115.05534	38.2
131.03561	18.5
131.05022	71.4
133.06610	20.8
143.05045	10.1
161.02469	2.2
161.04620	9.6
161.06071	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Oleandrose
Peak:m/z	Relative Intensity
53.27541	2.8
53.87906	2.7
55.01890	3.6
57.03458	13.5
59.01386	77.3
66.55142	2.9
69.03474	4.1
71.01385	88.4
71.05022	40.0
72.02625	2.6
72.99313	5.7
73.02950	45.2
75.10935	2.8
79.96358	2.6
81.03468	13.8
83.01415	21.6
85.02960	85.7
87.00865	5.2
87.04518	13.5
89.02467	17.5
95.01379	4.4
97.02929	4.4
99.04520	84.7
101.02437	38.4
113.02473	18.6
115.04012	37.8
115.07680	4.9
116.92860	12.4
117.05585	43.6
131.03508	40.8
133.02855	4.3
160.84230	75.9
160.89247	21.6
161.04535	28.6
161.08205	100.0
161.89394	13.0
163.88092	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	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	86.9
58.59295	1.7
59.01382	66.9
61.19247	2.0
63.48593	1.7
64.87350	2.2
69.03457	2.1
69.65601	1.7
70.07894	1.7
70.46224	1.9
71.01377	36.4
71.05015	29.4
72.99311	4.9
73.02935	19.2
81.03452	4.2
83.01414	8.5
85.02941	45.9
87.00875	11.7
89.02446	11.1
94.54948	2.1
95.01401	2.5
97.02958	4.5
99.00894	2.4
99.04510	100.0
101.02434	61.8
107.10860	2.3
113.02425	3.3
115.04002	12.8
117.05529	19.1
120.67636	2.2
131.03505	17.6
131.29976	2.0
143.03519	32.6
160.89371	2.2
161.04541	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0091
Annotation	4-Hydroxy-2-oxoglutarate
Peak:m/z	Relative Intensity
55.01889	3.7
57.03456	1.9
58.00593	1.1
59.01384	47.6
63.85281	0.8
65.30973	1.0
71.01378	71.7
71.05021	1.5
72.99306	8.1
73.02941	15.4
75.00877	1.6
81.03497	1.3
83.01400	3.1
85.02956	13.9
87.00871	100.0
89.02436	6.4
95.01409	0.9
96.96011	1.8
99.00878	24.1
101.02450	5.5
106.81396	1.1
112.98852	1.7
113.02476	1.7
114.69613	0.9
117.01948	1.9
131.03479	7.5
138.81819	0.8
143.03456	3.6
143.89005	2.0
160.89273	32.5
161.00839	1.1
161.04567	4.8
161.89417	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	161.0244
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
57.03452	3.8
59.01386	31.5
59.22612	0.8
60.99315	6.0
65.03960	1.1
69.85471	0.8
71.01381	22.2
72.99326	1.8
73.02945	21.9
74.03217	0.9
78.97999	0.9
81.03477	2.2
83.01397	7.0
83.25694	1.0
85.02951	25.2
87.00885	2.0
89.02462	5.4
95.01418	2.0
97.19543	0.9
101.02429	8.1
105.03462	22.0
113.01688	0.8
113.02443	9.1
117.03477	20.5
121.02955	100.0
122.03275	1.6
123.04524	22.9
131.03506	9.4
133.02975	2.2
134.95818	1.1
149.02464	15.0
160.01672	9.4
160.89201	1.7
161.02457	74.3
161.04564	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88437	0.9
52.39423	0.7
55.01897	3.9
57.03456	16.3
57.05508	0.9
58.00603	0.9
58.91339	0.8
59.01385	75.7
64.08639	0.7
64.91266	0.8
69.03443	0.9
71.01379	73.3
71.05036	7.3
72.99323	5.1
73.02947	16.3
81.03472	4.0
83.01374	6.7
85.02949	34.1
85.96916	0.9
86.03255	0.9
86.33273	0.9
87.00875	100.0
88.01193	1.6
89.02461	7.1
95.01388	5.6
97.02924	1.6
98.07266	1.2
99.00867	8.8
99.04524	19.0
101.02451	11.3
112.98820	4.5
113.02460	12.8
114.69278	1.1
115.00372	4.8
115.04008	4.4
117.05578	5.7
131.03473	12.6
143.03513	13.6
161.04565	15.6
170.64235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0663
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
59.01391	1.0
67.31841	0.4
69.03464	1.3
71.01398	0.9
73.02955	1.1
77.34052	0.5
87.00818	1.0
92.10735	1.2
93.03455	0.6
95.05009	23.6
97.06577	100.0
98.06921	2.5
99.92577	4.3
103.13181	0.5
114.94914	2.9
115.07635	29.4
116.92847	13.3
117.92802	0.6
134.39893	0.6
141.05606	1.3
158.93869	0.7
159.06610	33.3
159.89401	2.7
160.06999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67824	1.8
51.30995	1.6
52.92939	1.8
54.84362	1.7
55.01893	2.0
55.08943	1.8
59.01386	100.0
59.76429	1.8
60.49150	2.0
68.75296	2.1
72.99324	3.7
73.02950	3.5
77.41059	2.3
83.01411	11.0
96.96027	20.5
100.28319	2.3
111.00917	4.7
114.05705	2.6
130.33762	2.1
150.85710	2.2
153.27968	2.1
155.86551	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	158.939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10806	0.3
56.43098	0.2
59.01385	5.4
64.33930	0.3
71.01392	0.6
74.17514	0.3
74.86547	0.3
80.64957	0.3
86.95428	2.5
87.00890	0.5
99.92578	34.3
100.92574	0.8
101.02396	0.4
113.02433	0.4
114.94929	20.8
115.92076	0.8
115.94921	1.3
116.92854	100.0
117.92892	3.7
158.84596	0.6
158.89244	1.5
158.93912	12.4
159.03081	0.4
159.84480	0.3
159.88033	0.6
159.89377	3.3
159.93958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	Deoxypatulinic acid
Peak:m/z	Relative Intensity
55.01889	18.5
55.50916	3.8
57.03448	6.5
59.01398	22.6
60.30006	4.2
67.01908	15.6
68.99814	5.0
71.01380	100.0
72.99311	5.0
78.95917	33.7
80.96338	7.3
81.03474	20.9
82.21342	5.3
83.01410	20.9
83.05050	17.4
85.02944	92.0
86.71997	4.4
90.99391	3.7
93.03464	30.0
95.01365	4.4
96.95470	4.2
96.96008	37.9
96.96956	4.8
97.02934	3.9
98.89029	3.8
99.00909	27.0
99.04514	10.3
109.02966	23.4
111.00899	21.7
111.04504	30.4
113.02460	56.6
114.05676	4.7
127.04019	21.0
127.67612	4.0
136.53749	4.5
137.02463	21.4
155.03468	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	153.0322
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
54.82629	0.3
78.95910	100.0
82.82491	0.2
93.33513	0.2
95.42316	0.2
96.96954	0.4
109.02965	1.8
112.82658	0.2
115.45836	0.3
125.00092	44.1
153.01981	0.5
153.03229	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	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
52.74395	0.8
59.01397	1.1
59.95800	0.7
65.00329	1.1
65.03955	1.1
67.01895	14.5
69.03451	9.6
78.95911	7.4
79.05539	3.8
80.02677	2.0
80.96545	1.0
81.03453	25.1
83.01383	3.3
83.05027	1.5
89.02434	2.0
95.01399	4.9
95.05024	23.7
96.05360	1.3
96.11500	0.9
97.02946	12.9
97.06565	1.1
107.05068	1.1
108.02188	9.0
109.02961	88.0
109.51595	0.8
110.00089	8.0
110.03311	1.5
111.04530	4.2
113.35277	0.9
122.03746	1.5
122.17490	1.0
123.04525	100.0
124.04851	4.6
125.00105	2.1
125.02436	3.9
134.64458	1.0
135.04510	1.5
137.99562	4.1
151.00366	4.9
153.00691	1.0
153.01949	27.3
153.05560	3.9
153.86845	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	151.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92957	2.7
58.28409	2.6
59.01387	100.0
59.24301	2.4
59.89963	2.6
70.55570	3.2
71.01389	6.7
78.70652	2.6
101.02396	4.9
107.08671	76.4
108.02158	5.6
111.14911	3.3
122.03743	17.7
123.04543	52.7
136.01656	38.3
146.29033	3.4
151.04015	52.7
151.07695	39.0
165.41187	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	153.0194
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
59.01382	1.1
65.03970	3.4
67.01893	2.8
73.74789	0.4
81.03454	0.6
83.01388	2.0
107.01418	0.5
108.02161	2.0
109.02954	100.0
110.00082	2.2
110.03297	2.2
125.02459	1.0
137.99577	0.7
141.33670	0.6
151.00362	0.8
153.01936	19.2
153.05481	0.5
153.86868	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
51.65794	1.2
53.86966	1.1
59.01382	49.4
67.00990	1.4
68.10730	1.4
69.25434	1.4
71.01385	9.2
72.99300	78.4
75.00888	2.4
87.00873	100.0
89.02438	6.1
89.59299	1.3
94.99303	11.1
99.61807	1.3
103.00359	20.3
104.97758	5.4
105.01929	3.5
111.21992	1.6
130.92787	1.7
130.99854	6.5
148.96703	2.1
149.00917	85.4
149.04613	1.8
150.00175	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	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.16517	0.5
59.01386	14.2
59.16590	0.6
69.03432	0.6
69.94343	0.5
75.22622	0.6
82.00610	0.6
92.02647	4.3
95.01374	13.0
97.02950	0.6
100.96426	0.6
106.00615	1.0
108.02167	14.4
108.59145	0.5
114.03562	0.6
118.77650	0.5
121.02985	0.6
122.03735	1.1
123.00903	0.8
123.04536	7.5
136.01653	66.3
136.14667	0.5
137.01964	1.3
146.32344	0.6
151.04005	100.0
152.04378	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	147.03
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
57.03453	19.5
59.01395	6.7
71.01378	19.2
72.99304	49.5
73.02927	9.4
75.00879	1.6
83.03901	1.0
85.02951	100.0
99.00894	14.7
101.02464	6.6
103.04048	6.9
129.01936	31.1
130.91953	1.2
138.99120	1.1
147.03008	45.8
165.19133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03448	8.2
70.13971	4.1
71.01402	23.0
72.99306	48.8
73.02943	5.2
85.02952	100.0
92.10169	9.5
99.00908	16.8
103.04056	4.7
126.31066	4.2
129.01962	28.8
144.22801	4.5
147.03001	46.2
147.04538	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.56584	3.8
57.53913	4.4
59.01099	5.2
59.01389	10.7
67.56783	3.8
71.01380	57.3
72.99377	4.9
73.37096	4.2
78.89142	4.4
79.01921	4.2
83.15694	4.1
99.00882	40.7
119.04992	5.5
142.44324	5.2
147.03239	5.6
147.04536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.01896	4.7
57.03457	2.3
57.81694	2.2
59.01385	27.9
61.98833	35.2
68.99815	2.6
71.01383	100.0
72.01711	2.8
72.99297	7.4
75.00894	8.0
76.07906	2.1
76.43283	1.9
84.99323	14.5
87.00880	2.3
89.02444	5.0
99.00892	43.2
101.02439	2.6
117.10515	2.0
119.05056	2.7
129.01924	3.3
147.02992	10.3
147.04535	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01382	35.1
68.85032	1.3
71.01395	5.2
72.99303	85.3
73.02927	1.8
75.00880	7.9
87.00873	100.0
89.02434	14.8
91.38274	1.5
103.00385	15.5
105.01935	9.9
108.74500	1.3
126.37501	1.6
130.99792	2.0
149.00919	82.0
149.04562	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	147.0299
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
57.03457	77.0
58.00621	1.8
59.01388	100.0
59.05007	1.7
67.01910	3.0
68.68921	1.3
71.01395	31.6
72.99302	13.2
73.02961	7.6
75.00877	22.6
77.57974	1.5
83.01408	6.9
85.02962	66.6
85.03458	2.6
87.00902	9.8
88.06949	1.5
89.02464	9.2
96.78706	1.7
99.00888	9.7
101.02448	27.1
103.04012	74.5
103.43925	1.4
111.00892	3.5
117.01922	3.2
129.01945	21.3
147.03041	17.7
147.06642	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	22.9
59.01384	11.8
68.31316	1.2
68.31718	1.0
68.99847	1.2
69.67850	1.0
71.01383	32.0
72.99304	48.9
72.99687	2.1
73.02950	9.4
75.00880	1.9
76.58266	1.2
85.02950	100.0
86.03306	2.5
89.02477	1.9
94.86475	1.3
99.00892	15.8
101.02451	7.6
103.04025	7.2
103.87199	1.2
129.01952	29.4
147.03011	46.4
157.12994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.91628	0.5
56.88725	0.5
64.56727	0.5
64.92999	0.5
75.14265	0.5
83.01414	0.7
89.19233	0.6
95.34784	0.5
97.06599	0.9
99.08161	100.0
99.81930	0.6
100.08469	2.0
109.77930	0.5
118.02897	0.6
127.07651	1.3
143.07161	1.3
144.96571	0.7
145.08723	58.3
146.02509	1.1
146.09099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
54.22233	0.6
54.97551	0.7
56.51809	0.7
56.78793	0.6
57.03450	13.4
58.00608	3.7
59.01382	100.0
60.01682	0.8
63.35762	0.8
67.01885	1.2
71.01376	20.8
71.01727	1.1
72.99300	8.7
75.00865	24.0
83.01414	5.6
84.92317	0.9
85.02942	6.1
87.00894	4.9
89.02442	8.0
97.41147	0.8
99.00883	8.0
101.02462	5.3
103.05947	3.0
108.20718	0.9
109.08120	0.8
111.00871	6.5
117.01932	1.8
129.01939	9.3
129.03902	1.4
147.02998	15.4
147.04919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
53.35212	1.3
55.01897	1.3
57.03453	30.2
58.00597	2.4
59.01383	100.0
67.01898	1.6
71.01383	37.2
72.99310	11.3
73.02955	6.1
75.00872	24.8
75.21498	1.3
75.80520	1.4
78.20487	1.4
82.65647	1.3
83.01420	6.1
85.02952	32.5
87.00867	23.6
89.02455	7.0
95.51742	1.4
99.00869	12.3
101.02461	8.7
103.03997	17.6
107.31299	1.4
111.00922	3.2
115.00357	14.4
117.01992	2.7
120.84258	1.4
129.01938	21.0
147.03003	27.8
147.06696	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	145.0142
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
52.42074	1.0
53.70917	0.9
55.01900	1.9
57.03458	32.5
59.01390	5.3
71.01390	7.3
71.05025	2.0
72.99319	1.5
73.02950	13.0
74.25451	1.1
81.03474	7.2
83.01385	10.8
87.00877	1.6
88.48648	1.3
99.04520	12.5
101.02442	100.0
102.05636	2.4
115.00408	3.0
126.54790	1.2
127.00388	4.8
145.01431	13.3
145.05098	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	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
51.95663	1.8
57.03451	32.2
59.01392	17.3
59.58398	1.8
71.01406	4.2
73.02965	11.6
83.01401	4.4
85.51197	2.0
87.00881	4.7
92.98080	2.2
97.22115	2.1
101.02436	100.0
114.46400	2.8
115.00401	18.3
122.78803	2.3
144.96506	21.6
145.01422	14.5
148.03218	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	145.0507
Annotation	Adipic acid
Peak:m/z	Relative Intensity
58.49804	1.8
69.44147	2.1
75.62503	2.0
81.03459	11.7
83.01391	2.1
83.05024	58.4
83.44019	2.0
92.10157	3.3
101.02428	2.3
101.06080	100.0
120.60182	2.0
127.04050	2.0
144.96489	9.1
145.05087	30.5
145.06134	3.1
146.02458	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1078
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
53.15502	0.8
57.03473	1.1
59.01388	1.3
61.01818	1.3
61.98836	8.4
63.37493	0.8
71.01381	4.4
85.02969	3.4
116.02536	0.9
118.99545	0.8
125.02413	0.9
143.02551	3.4
143.03543	2.5
143.10785	100.0
144.02063	1.5
144.04512	1.0
144.11134	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	11.1
57.03465	16.9
58.00634	1.9
59.01386	100.0
66.09293	1.4
67.01903	3.5
68.99827	2.7
69.03469	8.4
71.01380	67.2
71.05026	10.2
72.99339	5.9
82.95889	1.6
85.02947	23.0
87.00878	3.0
87.04507	3.5
97.02968	6.3
99.00900	3.6
99.04520	68.4
107.38676	1.5
109.16237	1.5
112.98791	3.2
113.02444	7.6
113.37310	1.5
114.38387	1.5
115.00430	2.5
115.04015	32.9
116.02563	2.0
124.98856	2.0
125.02476	3.3
142.99884	7.7
143.02496	4.0
143.03517	43.4
143.07219	2.4
143.10788	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	143.0713
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
54.09105	0.5
57.03451	1.1
64.02561	0.6
64.26927	0.6
66.56570	0.6
69.03455	0.9
71.01379	7.4
72.99303	46.5
74.65106	0.6
84.14223	0.6
85.02966	5.5
95.25679	0.7
97.02981	0.7
97.06581	37.4
99.08183	0.6
125.06078	100.0
126.06414	4.4
143.03590	1.3
143.07144	29.1
144.07440	0.7
162.66328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.035
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose
Peak:m/z	Relative Intensity
55.01896	6.7
57.03460	16.1
59.01388	26.1
69.03469	7.9
71.01382	100.0
71.23774	1.0
72.99329	3.0
73.02939	11.9
81.03484	1.6
83.01384	9.5
84.24309	1.3
85.02953	70.5
85.06612	7.9
87.00890	1.6
95.01382	2.0
97.02967	8.2
97.06616	5.1
99.00901	1.4
99.04540	2.3
101.06096	4.9
101.28852	1.2
101.30418	1.2
107.59327	1.2
113.02456	13.2
113.06122	7.1
114.38595	1.3
115.07650	67.9
116.02602	1.7
125.02448	6.8
125.06092	6.2
143.02570	1.8
143.03592	10.1
143.07169	23.2
143.10741	1.5
145.62216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.056
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
58.66270	0.8
92.10104	5.2
123.03265	42.8
138.05617	100.0
139.05957	2.3
158.59824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.81813	0.4
98.49326	0.5
139.96426	0.5
141.02007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.92625	0.9
56.31570	0.9
57.03448	4.2
59.01388	5.2
59.74126	0.9
60.01723	1.2
69.03471	1.6
71.01387	12.5
74.31401	0.9
76.57671	1.0
85.02965	6.6
97.02944	1.5
110.98005	1.0
113.02464	2.3
115.03040	1.0
115.54652	1.0
116.02522	1.0
116.05075	1.1
138.49411	1.1
142.04189	10.8
142.06624	100.0
143.02544	3.5
143.03598	5.8
143.06976	5.7
157.29581	1.1
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
55.01895	7.1
57.03466	4.9
59.01384	100.0
67.01903	2.2
69.03462	1.9
71.01382	53.4
71.05038	2.6
72.99320	4.5
75.00893	1.9
85.02980	7.0
87.00890	1.7
87.04532	1.1
91.21668	1.0
97.88798	1.0
99.00881	2.2
99.04513	23.3
109.29237	1.0
112.98782	8.3
113.02463	1.7
115.00385	2.0
115.04005	12.4
116.02645	1.1
116.54505	1.0
124.98807	1.3
125.02473	1.2
131.35954	1.1
136.39235	1.2
142.99873	10.5
143.03491	16.9
148.25308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01382	1.2
71.01388	62.4
72.99311	13.4
72.99691	0.9
87.00899	0.9
89.02462	7.0
115.00378	100.0
116.00661	0.7
133.01437	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.3
79.72809	0.2
80.72057	0.2
81.03451	1.9
91.01907	0.6
93.03457	4.2
95.01407	0.6
108.02182	3.2
109.02947	2.9
119.01398	1.4
136.00734	0.3
136.01669	7.6
136.89154	0.4
137.02446	100.0
138.02786	2.8
153.03384	0.2
154.52368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.49829	0.2
61.26905	0.3
62.00387	0.3
81.03452	2.6
92.10102	0.3
93.03451	10.7
93.04010	0.5
108.02169	3.5
109.02947	2.6
114.38253	0.3
119.01360	0.6
134.80148	0.3
135.86443	0.3
136.01662	8.5
136.89236	0.5
137.02444	100.0
138.02792	3.3
143.67470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
59.01382	2.3
61.25598	1.0
63.49749	1.0
68.99824	2.5
71.01385	2.0
73.02958	7.1
85.02963	2.2
85.06591	100.0
87.04568	1.9
92.09998	2.0
101.02494	1.4
104.37658	1.0
117.59745	1.2
131.03502	1.2
131.07140	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
53.46088	0.7
53.90675	0.8
55.07324	0.7
59.01386	1.9
59.94878	0.8
64.28138	0.7
68.27534	0.7
68.99827	1.2
70.90033	0.8
71.01376	1.1
71.10863	0.8
73.02962	3.9
85.02959	1.3
85.06586	100.0
86.06937	1.0
87.04504	1.2
99.92596	0.8
101.02477	1.1
101.93964	0.8
119.79960	0.7
121.65908	0.8
131.07135	66.8
132.07553	1.3
132.17996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03486	2.6
59.01389	9.2
62.82398	2.3
64.57922	1.9
68.22873	1.8
68.99818	16.6
71.01388	12.8
73.02952	21.0
85.02962	8.6
85.06590	100.0
87.04527	13.3
89.50330	2.3
101.02428	2.5
113.02446	2.1
129.31667	2.3
130.99670	2.2
131.03464	4.3
131.07146	57.2
131.08116	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.59200	0.5
61.82652	0.5
67.07117	0.5
71.01378	62.0
72.01709	0.5
72.99308	14.0
72.99689	0.8
78.26613	0.6
78.96849	0.6
86.89229	0.5
87.10246	0.5
89.02438	7.6
92.10718	0.6
115.00372	100.0
116.00651	0.6
117.96366	0.6
133.01431	27.0
141.03996	0.5
146.09608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34360	0.5
51.06006	0.4
51.64106	0.5
53.40239	0.6
59.01387	2.6
68.99830	3.0
71.01408	2.7
73.02940	5.6
79.71066	0.6
82.90849	0.6
85.02966	2.8
85.06597	100.0
87.04522	2.6
90.69885	0.6
101.02460	1.3
113.06116	1.0
122.54685	0.6
129.05573	0.9
131.03539	2.6
131.07140	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
77.47926	0.5
78.88205	0.5
84.91946	0.5
88.04035	0.7
92.10082	0.7
96.40260	0.5
101.88502	0.5
119.82413	0.5
130.08737	100.0
131.09084	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	131.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61500	0.3
53.18156	0.3
54.82431	0.3
57.03446	0.4
57.55723	0.4
59.01392	0.4
59.80379	0.3
65.77100	0.3
68.99818	0.8
69.03421	0.6
71.01383	1.8
73.02940	2.4
85.02946	0.9
87.04510	100.0
88.04842	1.9
98.81332	0.4
103.52015	0.4
113.02446	6.6
131.03500	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	131.0349
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
52.98055	0.3
59.01362	0.4
68.99809	0.7
69.03462	0.7
71.01371	0.6
73.02934	1.4
76.57693	0.4
85.02955	0.6
87.04510	100.0
88.04844	1.6
100.26041	0.3
101.56351	0.3
113.02446	6.6
131.03503	22.3
132.03847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
51.70623	4.4
55.31026	3.9
59.22560	4.0
85.02938	6.7
92.10297	7.6
92.10784	5.8
92.49628	4.4
95.86539	5.2
101.06094	4.3
129.05576	100.0
139.12627	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	129.0557
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
52.26464	1.0
75.10980	1.0
80.81669	1.1
83.05026	12.4
85.06593	100.0
93.36467	1.0
111.04519	24.3
129.05576	50.8
133.23000	1.0
141.05460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
57.16856	0.9
66.73197	0.9
75.85828	0.9
77.84000	1.0
83.05031	11.7
85.06592	100.0
104.04983	0.9
111.04520	27.2
129.05576	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	6-Hydroxyhexan-6-olide
Peak:m/z	Relative Intensity
50.70242	6.0
59.01388	11.9
66.10116	6.7
71.01385	7.6
73.02985	13.5
83.05056	32.0
85.02964	12.8
99.00908	8.0
128.90187	7.9
129.01932	9.2
129.05580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.9
57.03453	3.0
59.01389	4.6
67.01897	2.1
68.99814	3.8
71.01376	4.0
72.39516	0.5
72.99313	2.6
73.02944	5.6
83.01392	2.3
83.05025	3.9
85.02950	100.0
85.06572	1.0
86.03284	1.1
87.00880	2.2
94.51637	0.5
99.00896	2.4
101.02458	1.3
102.28893	0.5
111.00884	2.5
111.04516	1.2
112.71447	0.5
128.90178	4.3
129.01945	15.6
129.05618	3.8
129.09149	0.6
145.80292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
53.63345	0.9
54.44238	1.0
54.82978	1.2
55.01894	6.6
57.03460	4.6
59.01389	2.7
62.58295	1.2
62.94013	1.0
64.46185	1.0
67.01911	2.5
68.99826	2.6
71.01397	4.9
72.38174	1.0
72.99306	100.0
73.02960	5.7
83.01402	5.5
83.05026	50.0
85.02955	85.1
85.06590	10.7
99.00826	1.9
103.29074	1.1
111.00874	1.2
111.04521	30.9
128.90147	2.6
129.01939	17.2
129.05583	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82473	0.4
55.01880	2.2
57.03443	2.2
59.01374	2.4
67.01883	0.7
68.99806	2.0
69.91239	0.4
71.01382	1.0
72.16074	0.5
72.99303	17.6
73.02941	2.2
83.05030	8.1
85.02947	100.0
85.06602	0.7
86.03301	2.3
87.00871	0.8
99.00875	0.7
100.35090	0.4
101.02418	1.2
109.42485	0.4
111.00870	0.6
111.04530	4.6
128.90129	1.2
129.01932	11.0
129.05586	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	49.6
57.03453	25.0
63.95051	1.7
67.01902	49.4
67.08684	1.6
68.99844	3.0
71.01387	6.8
72.99319	8.7
73.02959	7.5
80.69872	1.5
83.01389	12.2
83.05023	2.3
85.02960	100.0
85.10578	1.6
86.03268	2.1
87.00832	2.0
87.60874	1.5
92.10709	2.2
94.23904	1.5
99.00897	2.8
101.02451	9.8
109.99133	1.6
111.00873	4.1
128.94249	2.5
129.01949	25.0
129.03889	2.5
129.05580	2.1
137.65863	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	129.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94848	2.3
54.82893	2.8
55.01886	65.4
57.03458	48.9
57.40998	2.9
59.01382	4.2
59.53638	2.4
59.89375	2.5
67.01901	100.0
68.99832	3.7
71.01409	5.4
72.99311	34.7
83.01397	15.6
83.05039	21.0
85.02970	44.5
85.47508	2.5
99.00875	6.1
101.02453	3.2
102.25478	3.3
111.00883	15.4
111.04526	6.6
129.01932	22.1
129.05548	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72707	1.2
55.01886	100.0
57.03455	2.4
59.01400	1.7
65.21927	1.2
66.39324	1.4
67.01910	7.8
71.01414	2.1
72.17073	1.5
72.91856	1.6
73.02961	6.0
85.02959	35.3
99.00900	2.7
101.02448	11.8
112.49653	1.5
113.75811	2.0
117.02232	1.4
129.01958	8.7
130.08739	31.2
146.91428	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	129.0193
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
55.01888	2.8
57.03453	1.0
59.01381	1.4
66.10465	0.5
67.01913	0.8
68.99831	0.8
71.01396	2.0
72.99316	0.8
73.02956	2.2
83.01389	2.0
83.05035	2.2
85.02947	100.0
86.03292	1.1
92.10782	1.8
101.02435	0.6
111.00894	0.9
111.04490	0.9
128.90158	3.2
129.01938	13.0
129.05566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0608
Annotation	cis-1,2-Dihydro-3-methylcatechol
Peak:m/z	Relative Intensity
50.19072	3.4
57.03463	8.4
59.65569	4.7
69.03462	45.1
81.03479	7.1
92.10129	17.3
97.02974	10.0
125.02455	100.0
125.06091	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	127.0401
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
50.91602	0.4
51.35151	0.4
55.01890	4.7
59.01396	4.3
59.79254	0.4
65.25578	0.5
73.19623	0.5
81.03468	17.7
83.05032	100.0
84.05331	0.6
85.02946	0.7
92.10133	1.8
96.67689	0.5
99.04485	0.9
108.87405	0.5
126.90398	5.5
127.00404	3.5
127.04011	6.6
128.03526	0.8
140.49648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	14.0
57.03456	2.9
57.99345	0.8
67.01894	7.1
71.01385	1.1
72.21862	0.5
72.99323	1.2
73.02940	0.7
75.27917	0.6
77.87935	0.5
78.61502	0.5
78.72369	0.5
82.03003	3.2
83.01429	0.7
83.31612	0.5
84.04562	0.9
85.02957	11.5
90.99464	0.5
99.00906	1.0
101.02450	1.1
105.62022	0.5
124.26891	0.6
128.03543	100.0
128.90164	2.7
128.94189	1.3
129.01990	4.7
129.03851	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	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.01397	0.5
59.23520	0.1
65.80196	0.1
73.83321	0.1
91.01888	0.3
92.02686	0.3
93.03444	1.9
95.01405	0.3
108.02183	2.3
112.50591	0.1
120.02139	0.1
121.02953	100.0
122.02419	0.2
122.03277	3.0
137.25143	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
58.90495	0.4
62.30847	0.5
64.09773	0.4
67.72015	0.4
69.75945	0.5
70.67309	0.5
75.25901	0.5
92.10147	0.6
93.03459	3.0
100.01794	0.5
100.40202	0.5
108.02144	0.6
121.02953	100.0
122.03277	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	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01880	0.3
65.07216	0.2
73.02943	100.0
73.43022	0.2
74.03284	1.0
90.56997	0.2
99.00874	9.0
99.92583	1.4
116.92844	3.1
117.01939	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	117.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83937	0.2
50.84231	0.2
53.50562	0.2
54.46624	0.2
54.70450	0.2
55.01878	0.5
57.92237	0.2
64.34661	0.2
70.29369	0.2
73.02954	100.0
74.03300	1.0
82.93719	0.2
88.87736	0.2
99.00888	9.9
99.92596	2.2
116.92856	7.9
117.01945	19.6
117.92887	0.8
118.02323	0.2
136.51964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.5
83.01392	2.5
83.52895	0.3
84.33791	0.3
89.03967	0.5
91.01933	0.3
93.03446	0.7
95.04993	0.4
97.02937	1.2
107.05016	2.0
108.02222	0.4
108.94300	0.3
109.02943	9.4
114.90560	0.3
117.03461	0.7
120.02172	0.6
121.02951	1.5
122.03750	0.4
123.04510	5.7
124.01645	0.4
125.02436	100.0
126.02794	1.5
131.05038	1.5
132.02164	0.7
133.02950	8.7
135.00880	0.4
135.04546	2.6
137.02438	11.3
139.04007	1.3
143.05057	0.5
145.02960	0.5
146.03709	0.4
147.04543	0.5
149.02467	4.2
150.03244	1.2
151.02849	0.6
151.04010	13.0
152.04190	0.4
153.01958	0.4
158.03781	0.5
159.04526	3.1
161.02446	36.4
161.06097	1.9
162.03183	2.4
163.00395	4.0
163.04037	3.3
164.01158	8.6
165.01921	6.5
167.03494	2.0
171.04474	0.4
173.02312	0.5
173.06129	1.6
174.03143	1.6
175.03999	18.3
176.01128	0.5
177.01932	14.2
177.05539	1.6
179.03513	1.7
183.04604	1.3
185.06206	0.6
187.04015	4.5
188.04730	0.7
189.01959	2.6
189.05609	0.6
191.03529	1.3
193.05045	1.2
197.06100	0.4
198.03323	0.5
199.04019	6.0
201.01900	1.6
201.05566	2.6
202.02957	0.4
203.03499	4.4
203.07138	3.2
205.01443	1.5
205.05035	3.2
207.02980	0.5
211.03970	1.5
213.05626	1.6
214.02777	0.6
215.03502	1.6
217.01505	0.5
217.05075	8.9
217.08543	0.3
219.03061	4.1
219.06599	1.5
221.08119	0.4
225.05568	1.8
227.03557	2.9
228.04346	0.7
229.05017	2.2
231.03004	1.7
237.05513	0.4
239.03502	0.4
241.05055	1.9
241.70035	0.3
243.02995	23.9
243.06558	2.1
244.03481	0.6
245.04553	9.8
245.08160	4.0
246.05283	0.4
247.06206	0.4
249.05510	0.3
253.05084	1.6
255.02966	7.8
255.06833	0.4
256.03671	2.2
257.04578	2.5
259.06021	0.5
261.04041	6.7
267.03036	1.2
267.06631	0.7
269.04608	4.9
271.02783	0.4
271.06107	0.6
273.04092	2.3
279.02911	0.7
281.04562	2.5
282.01721	1.8
282.05206	0.3
283.02609	2.4
283.05698	0.4
284.03183	0.3
285.04211	3.4
287.05634	24.7
288.06036	0.5
289.07205	11.6
293.04581	1.3
294.05191	0.4
295.02478	1.7
295.05911	0.6
297.03979	1.2
299.05615	1.6
307.02692	0.4
309.04141	0.4
319.02496	0.6
329.06662	0.5
335.05716	1.2
337.07169	0.5
339.08777	1.4
341.06604	0.5
363.05045	1.3
373.03403	0.4
381.09952	0.6
387.05426	0.6
391.04776	0.5
395.07828	0.6
397.12384	0.3
405.06155	4.3
407.07727	14.3
413.08832	7.2
423.07083	5.3
425.08771	6.9
433.09464	0.6
447.07227	0.4
449.08774	6.5
451.10336	3.4
525.08081	1.1
531.10168	0.4
533.11847	0.6
543.08832	1.3
549.10510	0.5
557.10284	0.4
559.12775	0.5
569.11603	0.5
575.12024	8.9
577.13617	9.3
587.12201	1.7
595.47565	0.3
693.13141	0.5
695.14471	3.3
701.15387	1.9
711.13849	0.6
713.15527	0.5
737.15387	0.5
739.16779	2.8
813.14362	0.7
821.18280	0.4
831.14569	0.6
847.18469	0.6
863.18481	1.7
865.19867	3.1
983.20770	2.1
1001.20978	0.7
1016.72620	0.5
1027.23083	0.4
1153.25305	1.6
1183.07788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.04
Annotation	5-Oxopentanoate
Peak:m/z	Relative Intensity
50.79306	3.8
59.01394	22.5
63.13541	3.4
63.64511	3.9
66.63007	4.0
71.01374	40.7
71.05033	18.7
87.04528	18.4
89.01469	16.9
97.93168	20.7
114.93406	73.2
115.04012	100.0
115.04760	5.2
116.02526	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0764
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
64.75378	0.3
65.75542	0.3
71.01388	0.5
71.41095	0.3
91.76172	0.3
92.10813	0.8
97.93139	0.7
114.93410	2.3
115.07648	100.0
116.02586	2.3
116.07975	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	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.72518	1.4
59.01379	14.9
61.24193	1.4
68.94838	1.8
71.01382	100.0
87.00883	3.1
95.35124	1.9
114.93452	1.9
115.00361	15.5
121.15521	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	1149.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
80.93018	0.1
85.02938	1.1
91.32556	0.1
98.70138	0.1
120.04502	0.3
122.06112	4.0
125.06117	0.1
133.07645	0.1
145.07732	0.7
146.04890	0.5
147.05687	0.6
148.07677	0.2
159.05652	1.7
160.06418	13.7
161.07195	7.8
161.09195	0.1
162.04381	0.1
163.05087	0.2
171.05652	0.2
171.09274	0.7
172.06407	2.3
172.07799	0.2
173.07179	4.3
175.05061	0.2
175.08794	0.3
181.76495	0.1
184.06396	0.8
185.07146	0.4
186.07968	0.4
187.08766	2.9
188.09549	3.3
189.10341	12.6
192.05373	1.6
197.07306	0.1
199.08716	0.1
204.05396	0.5
211.07494	0.4
212.05963	0.7
212.09656	0.6
213.06775	0.1
213.10332	2.5
214.07521	1.1
214.11133	0.5
215.08279	7.3
215.11880	0.5
216.05460	0.1
220.08559	2.0
223.08777	0.1
224.08374	0.2
225.06874	0.1
233.09286	1.4
239.08293	0.1
239.11853	0.4
240.09050	0.9
241.09834	0.7
244.08597	0.6
246.06479	0.2
253.09949	0.1
254.13040	0.4
255.11272	0.4
265.13449	0.1
266.09344	0.8
266.12311	0.1
267.10117	4.5
267.14951	0.2
268.14703	0.1
278.09601	0.1
279.10223	1.0
280.10867	0.5
281.11606	1.0
282.12485	25.2
283.12891	0.5
285.08704	0.1
290.13052	0.5
292.14554	0.4
293.12561	0.2
294.12500	13.2
295.13251	1.9
306.12531	1.1
307.13370	0.1
308.13989	1.1
310.15640	15.8
311.15945	0.2
311.88248	0.1
318.12494	0.6
318.16104	0.4
319.13202	0.4
320.14139	0.4
321.11127	0.5
321.14774	0.3
327.13550	0.1
327.17334	0.1
333.13596	0.5
334.12097	0.2
334.15628	2.2
336.13586	14.7
336.17245	1.4
337.13971	0.2
345.13770	0.2
346.11832	0.3
347.12476	0.1
354.14627	100.0
355.14902	2.2
360.13486	0.2
361.16748	0.2
362.15115	5.3
378.14529	0.4
380.16190	2.4
387.14932	0.1
388.12955	0.4
394.17899	0.1
398.17230	29.3
399.17828	0.7
405.15710	3.3
406.14114	6.2
420.15506	0.1
427.34891	0.1
431.17349	0.1
432.15942	0.1
448.18655	0.4
450.16885	0.1
463.16028	0.6
473.18643	0.2
478.19839	0.1
491.19382	3.3
512.10938	0.1
513.11798	0.1
535.22064	4.6
547.25739	0.1
550.22205	0.8
591.24902	0.5
635.27332	64.4
636.27411	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	1141.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	1.3
91.01885	0.4
93.03495	0.3
95.01418	0.5
101.02452	2.1
108.02195	1.7
109.02956	33.0
111.00901	2.7
112.04084	0.3
113.02462	1.8
114.39423	0.3
116.76294	0.3
119.04976	0.5
121.02956	0.4
123.00884	0.5
123.04549	1.6
124.01618	1.0
125.02447	0.5
129.01964	0.4
132.02161	1.9
133.02957	25.3
134.03760	0.6
135.04527	25.7
137.02437	2.3
139.00319	0.4
147.04517	2.1
148.04146	0.4
148.05330	0.6
149.02496	0.7
149.06096	4.8
151.03978	1.3
152.01163	11.0
153.01945	67.4
154.02290	0.4
159.04498	0.7
161.02452	79.0
162.02805	1.5
163.00340	0.6
163.04066	0.4
165.01970	0.7
167.03560	0.6
174.03275	0.5
175.04022	11.9
177.05585	8.1
179.03506	18.4
187.03896	0.4
189.05623	0.8
195.03009	55.9
196.03218	0.6
199.04274	0.4
201.05640	0.6
203.03535	43.4
204.03952	0.4
207.03009	0.5
209.20898	0.3
210.11909	0.3
217.05093	0.7
221.04581	4.4
225.04099	8.1
227.03635	3.0
229.05078	0.4
233.04559	1.4
237.04004	1.9
241.05075	0.6
245.04607	4.2
251.05640	0.6
255.02942	4.2
255.05171	33.6
256.03296	0.5
257.04480	0.5
269.04663	0.4
281.06702	1.3
284.03265	7.1
285.04025	7.1
286.04248	0.6
293.04285	0.4
297.06317	3.7
313.03534	0.4
323.07498	0.5
335.58847	0.3
341.08920	0.6
381.80127	0.4
399.07175	3.3
417.02679	0.7
417.08334	18.4
459.09293	0.4
477.10449	48.9
478.10840	1.4
489.10468	5.2
490.10812	0.4
498.44788	0.3
573.12616	0.4
575.14148	100.0
576.14777	2.7
599.51001	0.4
607.16870	10.6
653.27563	0.3
883.66992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0608
Annotation	3-methyl-4-pentenoic acid
Peak:m/z	Relative Intensity
52.69719	0.7
54.29848	0.7
55.01884	0.9
68.99572	20.3
80.58386	1.0
85.02971	1.1
85.16936	0.9
113.06091	100.0
117.49313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03435	0.6
83.01384	4.0
84.39977	0.3
89.03967	0.5
93.03472	2.0
95.01356	0.7
95.05003	0.5
97.02951	2.1
105.03402	0.3
107.05036	1.4
108.02182	1.3
109.02950	11.5
117.03475	0.7
119.04986	0.4
120.02165	0.7
121.02940	3.4
122.03785	0.4
123.04522	8.4
124.01685	0.5
125.02434	100.0
126.02760	0.6
131.05058	0.7
132.67043	0.4
133.02945	7.4
135.04527	1.9
137.02435	18.5
139.04010	2.4
145.02940	0.7
146.03726	0.7
147.04523	1.5
148.01631	0.4
149.02473	5.0
149.06047	0.6
151.04005	10.1
157.06526	0.5
158.03673	0.7
159.04478	3.5
161.02451	35.7
161.06003	3.0
162.03188	2.7
163.00372	4.9
163.04007	4.8
164.01158	35.0
164.02554	0.9
165.01924	11.8
165.03229	0.6
167.03497	1.3
171.04559	0.8
173.02339	0.8
173.06081	1.7
174.03236	0.8
175.04010	13.2
175.07605	0.8
176.01115	0.7
177.01930	12.9
177.05528	1.4
178.02661	0.5
179.03528	3.0
179.04916	0.4
183.04517	1.5
185.06111	1.8
186.03265	0.5
187.03999	6.5
188.04832	2.5
189.01968	2.4
189.05539	0.9
190.02684	1.4
191.03511	1.4
197.06116	0.5
199.04109	2.7
200.04735	0.5
201.02092	1.1
201.05573	3.0
202.06389	0.6
203.03552	3.4
203.07187	4.7
205.01434	1.7
205.05077	3.5
211.04050	1.9
212.04715	0.5
213.05574	2.0
214.02740	2.8
215.03438	2.5
217.01500	1.3
217.05083	5.1
219.03044	2.7
219.06592	0.7
223.07411	0.4
225.05531	1.9
225.09259	0.4
225.22836	0.4
227.03525	2.3
227.07133	1.3
228.04300	2.1
229.05054	5.5
229.08661	0.4
230.02028	0.4
231.02969	1.9
237.05550	0.5
239.03477	0.7
241.05087	0.8
243.02989	10.4
243.06551	2.5
244.03853	0.6
245.04544	9.5
245.08199	7.4
247.06059	0.5
253.05009	1.8
254.06097	0.5
255.03036	9.9
255.05914	0.8
256.03796	6.4
257.04538	4.0
261.04092	2.7
267.03012	0.5
269.04590	4.1
271.06107	7.4
273.04062	2.5
273.07483	0.6
281.04578	3.6
281.07303	0.5
282.01630	1.9
283.02518	2.8
283.06061	0.4
284.03235	0.7
285.04108	5.1
287.05634	19.9
288.02728	0.5
289.07205	19.4
293.04553	2.1
295.06177	0.9
297.04163	1.1
297.07462	0.6
299.05643	3.9
300.02759	1.5
305.04599	0.5
311.05463	0.7
321.07681	0.4
323.09335	0.6
327.05380	0.6
339.08838	2.9
341.06790	1.5
347.05414	0.5
361.07510	0.5
363.08917	0.7
379.08508	0.5
389.06714	1.9
397.09302	1.5
405.06323	0.5
407.07758	26.7
408.08530	0.6
413.08987	3.6
417.49359	0.4
423.07315	1.3
425.08862	14.3
426.09781	0.5
433.09268	3.2
449.08835	1.6
451.10461	6.5
467.10281	0.5
559.12592	14.9
560.12732	0.7
561.13727	0.4
571.12335	0.8
575.12299	1.9
577.13605	15.8
679.14807	0.6
685.15997	1.9
695.14087	0.7
697.15759	1.4
723.17554	1.9
739.14795	0.5
833.16766	0.5
847.19135	2.8
849.19928	2.5
861.93915	0.5
967.20361	1.5
985.21240	0.5
1035.65430	0.5
1136.39294	0.4
1137.26147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	55.5
79.95733	0.6
86.08022	0.1
86.33517	0.1
90.74735	0.1
92.44922	0.1
96.96041	11.0
96.96952	100.0
158.56660	0.1
262.84610	0.1
285.83386	0.1
388.89441	0.1
439.08630	48.6
440.09030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53990	6.6
59.82874	6.4
64.69154	6.0
68.99580	100.0
80.70307	7.1
92.10770	10.4
104.83817	6.5
108.93908	7.3
124.63379	6.7
127.13021	6.9
134.18402	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	1121.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.9
83.01398	5.2
88.00583	0.4
93.03452	3.8
95.01363	0.9
95.05036	1.8
97.02953	4.7
107.05035	1.0
108.02176	2.4
109.02952	13.8
117.03514	0.9
119.05013	0.6
120.02157	2.3
121.02930	4.2
122.03683	0.6
123.04512	9.9
124.01727	0.7
125.02438	100.0
126.02745	1.8
131.05017	0.5
132.02180	0.5
133.02960	9.7
135.04468	3.3
137.02440	28.6
139.04013	1.9
145.02945	1.0
145.06613	0.5
146.03606	0.5
147.04562	2.0
149.02434	7.2
150.03166	0.9
151.00375	0.5
151.04027	9.8
153.01947	0.8
155.04985	0.5
157.06573	0.8
158.03757	0.4
159.04503	3.5
161.02448	34.9
161.06096	3.9
162.03081	2.3
163.00365	6.6
163.03984	4.8
164.01158	57.3
165.01953	15.2
167.03479	0.9
169.06654	0.8
173.02432	0.8
173.06044	0.4
174.03233	0.6
175.04022	10.3
176.01099	2.0
177.01930	11.8
177.05482	0.7
178.02527	0.5
179.03459	2.5
183.04573	0.5
185.06078	1.8
187.04083	6.9
187.07555	0.5
188.04755	2.3
189.01956	3.4
189.05583	2.8
190.02551	0.6
191.03473	1.0
199.03973	3.6
199.07698	0.9
201.01953	1.0
201.05608	2.2
202.99907	0.7
203.03505	2.3
203.07138	7.7
205.01402	3.0
205.05067	4.4
211.04008	1.1
213.05539	2.3
214.02711	2.2
215.03551	2.5
215.07141	0.5
217.01364	1.9
217.05034	5.2
219.02994	2.3
219.06525	0.5
221.08186	0.7
224.74466	0.5
225.05643	2.3
227.03490	3.2
227.07130	1.8
228.04259	2.3
229.05057	5.2
230.05760	0.8
231.03023	1.0
231.06566	0.7
241.05058	1.9
242.05775	0.4
243.02994	7.6
243.06609	2.6
244.03720	0.5
245.04550	9.4
245.08179	7.1
247.06131	0.6
249.05605	0.6
253.04991	2.2
254.50693	0.5
255.02994	11.6
255.05905	0.5
255.06583	0.4
256.03723	5.9
257.04541	2.6
261.03967	0.8
267.02951	0.5
267.06708	0.5
269.04675	6.1
270.05127	0.6
271.02878	0.7
271.06143	17.8
271.09180	0.8
272.06461	0.5
273.04224	3.4
273.07553	3.6
279.02982	1.6
280.03662	0.6
281.04669	3.9
282.01828	1.0
283.02496	0.9
284.03180	0.7
285.04095	4.5
287.05627	15.6
288.02832	0.8
288.05902	0.6
289.07205	22.4
290.07559	0.7
293.04770	1.1
293.08231	0.6
295.02670	0.5
295.06091	1.0
297.07666	0.5
299.05643	3.9
300.02829	2.7
301.03436	1.0
309.04184	0.6
311.05560	0.8
319.02612	0.7
323.09042	1.2
339.05063	0.7
339.08801	1.9
363.08905	0.6
379.08380	0.5
389.06796	1.9
391.08310	1.1
395.07758	8.4
396.08112	5.9
397.09009	4.4
405.05930	0.5
407.07767	28.7
408.08218	1.9
409.09375	4.2
411.07495	0.7
417.09915	0.8
425.08832	17.2
433.09427	2.9
435.11234	0.7
435.67102	0.5
436.08072	1.0
451.10526	6.6
467.09897	0.7
525.08856	0.6
543.13062	11.7
555.01398	0.5
557.10822	2.3
558.11029	2.1
559.12457	11.3
561.14191	3.9
577.13647	17.2
578.14429	1.0
609.14868	0.9
610.15009	0.6
677.13348	0.8
679.14423	1.8
697.15265	0.8
723.17151	0.8
774.96136	0.6
831.18787	2.1
833.21387	1.9
847.19019	2.1
849.20197	2.7
865.67151	0.5
951.21191	1.0
969.21857	0.8
1121.27197	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	1111.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
80.01579	0.4
82.70943	0.5
83.01384	2.6
85.55596	0.5
89.46690	0.5
92.88398	0.4
93.03452	4.3
98.01939	0.5
107.01405	8.1
108.98505	0.5
111.50611	0.5
114.54028	0.5
119.04232	1.0
119.05030	17.6
125.02435	3.2
133.47018	0.6
136.21158	0.4
143.05019	0.6
145.02945	2.0
151.00375	31.3
161.02444	1.1
169.01532	0.7
171.04488	1.2
173.02490	0.8
183.04486	2.2
185.06120	0.8
187.04030	2.9
193.01425	0.7
199.04068	0.7
211.04065	3.1
215.03508	1.1
227.03487	2.6
239.01320	0.6
239.03505	4.9
253.01552	0.7
255.03024	3.6
257.04608	6.5
268.00171	5.6
269.04596	3.3
281.04614	1.0
282.01773	0.7
283.02524	51.3
284.03024	1.2
297.04092	6.2
305.04657	0.6
309.00406	2.6
309.04016	4.5
323.05405	3.5
325.03574	12.4
339.04944	0.8
341.06570	0.8
349.03677	2.1
365.06631	1.9
367.04565	4.8
391.04684	2.6
403.08286	39.4
409.05780	2.7
429.06036	2.9
435.03738	2.1
439.68866	0.6
460.13513	0.5
466.31036	0.6
553.07880	0.7
555.09412	100.0
556.09717	3.3
693.48566	0.6
903.45667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.258
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00872	1.3
81.03487	0.5
81.81567	0.3
85.02966	2.0
87.00884	0.6
92.05840	0.3
92.10081	0.5
93.03470	0.4
94.17657	0.3
95.01368	0.4
97.02952	0.3
101.02419	2.8
108.02220	0.6
109.02956	16.5
111.00887	0.7
113.02440	1.7
121.02938	1.2
123.00872	0.4
123.04523	0.7
125.02441	4.5
129.01945	7.3
133.02980	0.7
135.04501	0.7
137.02469	1.1
145.02951	0.6
147.04503	0.7
149.02441	1.9
151.00392	1.7
151.03984	0.6
152.01132	2.4
153.00700	0.5
153.01944	13.3
159.04555	1.3
161.02431	3.8
164.01247	0.3
167.04955	0.3
169.01427	2.3
169.06595	0.6
171.04527	0.4
173.02515	0.8
174.03238	0.4
175.00345	1.9
175.03986	1.8
175.77176	0.3
177.01891	0.4
177.05577	0.6
181.06561	0.3
183.04514	0.5
185.02469	4.7
185.05989	0.3
186.03203	1.5
187.03934	0.5
187.07587	0.3
191.05106	1.7
192.00687	0.4
193.01535	2.7
193.06641	1.4
195.02989	9.8
195.04997	3.7
196.05292	0.3
197.06082	1.3
201.01880	0.6
204.05870	0.4
207.04521	1.8
208.05310	0.6
209.06087	1.6
211.04099	0.4
211.07774	0.5
213.05620	0.8
217.01321	0.4
219.04529	4.2
220.05330	1.2
221.06186	2.9
223.03998	1.7
223.07512	0.4
224.04767	1.4
225.05580	2.0
232.05272	0.4
235.04117	9.2
236.04881	2.8
236.07040	0.4
237.05620	9.8
239.03456	0.5
239.07062	1.2
241.05095	0.7
247.04059	6.4
248.04790	3.4
249.05602	5.6
250.02776	0.8
251.03529	4.3
252.04256	1.9
253.01457	0.6
253.05186	3.0
255.04958	2.8
263.03500	21.3
264.04294	5.6
265.05109	12.5
266.05872	0.8
267.03455	0.3
267.06683	3.3
269.04480	2.7
275.03510	5.9
276.04254	7.6
277.02301	0.4
277.05075	3.9
278.02179	0.6
278.05618	0.4
279.02988	12.3
279.05887	0.5
280.03781	4.9
281.04654	1.9
283.06042	0.5
285.03909	0.4
291.03043	12.0
292.03778	7.0
293.04602	55.5
294.05167	1.9
295.02512	1.2
295.06097	5.5
296.03046	0.3
297.03949	14.8
303.03006	0.5
304.03839	0.4
305.04691	0.6
307.06088	0.6
309.04086	1.1
311.05582	3.3
315.06775	0.4
319.02515	100.0
320.02899	2.9
321.04083	6.5
322.04724	0.4
333.04102	1.3
333.07809	0.7
335.05734	1.6
337.03598	25.3
339.05106	7.5
351.05148	2.3
353.06363	0.5
361.03433	0.4
361.07330	0.6
379.04663	11.5
381.06329	0.6
387.05261	0.4
391.04614	0.6
399.53125	0.3
403.08450	0.4
439.06665	1.3
481.07779	0.5
499.09024	0.7
501.10141	0.4
567.10724	0.5
575.08362	5.0
589.11902	1.4
591.11420	0.4
597.13275	0.4
609.13495	0.9
611.10681	1.5
617.10120	0.6
635.10706	11.6
653.11414	3.0
695.13037	0.7
733.14020	12.7
734.14148	0.4
747.12238	6.6
751.15210	1.4
765.13928	2.0
793.16785	0.5
797.15802	0.5
927.18561	4.7
945.19727	2.9
1025.21924	3.5
1043.23120	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	1069.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
74.20428	1.4
81.03477	3.1
83.01405	6.9
93.03419	1.9
107.01395	3.3
109.02995	6.4
114.37758	1.5
123.04520	31.0
123.96330	1.4
125.02457	30.6
133.02962	8.7
135.04529	59.4
149.02452	2.8
151.00366	17.8
152.83623	1.4
153.01883	2.6
159.04510	3.0
161.02441	10.7
163.04007	7.3
165.01961	6.1
167.02116	3.1
167.03502	80.6
171.04535	1.7
173.02377	13.6
174.03145	2.4
175.04024	17.2
177.01924	2.9
187.03952	3.1
189.05569	3.2
191.03510	8.0
193.01332	2.6
197.02499	1.6
198.03273	3.4
199.04051	14.8
201.01985	23.8
209.04573	1.6
211.04095	1.5
213.01881	7.0
215.03503	5.4
215.07054	2.0
217.05014	6.7
223.04195	1.5
225.01875	1.6
233.04471	1.8
239.03511	2.7
241.01556	2.6
241.05052	12.6
242.02223	16.1
243.02995	100.0
245.04605	2.8
259.02515	6.0
267.03040	32.0
269.00946	77.5
271.02417	2.5
283.02542	3.3
283.05762	2.0
285.04095	15.7
295.02502	2.6
307.06110	2.4
308.03363	2.1
311.02039	36.5
349.07120	1.8
387.05304	1.9
403.08322	2.1
405.06219	30.5
407.07599	1.7
421.09299	2.0
445.15097	1.6
447.08847	6.1
573.10419	51.4
609.13013	2.2
777.16840	84.9
939.21930	2.8
981.23480	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	1069.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
74.20428	1.4
81.03477	3.1
83.01405	6.9
93.03419	1.9
107.01395	3.3
109.02995	6.4
114.37758	1.5
123.04520	31.0
123.96330	1.4
125.02457	30.6
133.02962	8.7
135.04529	59.4
149.02452	2.8
151.00366	17.8
152.83623	1.4
153.01883	2.6
159.04510	3.0
161.02441	10.7
163.04007	7.3
165.01961	6.1
167.02116	3.1
167.03502	80.6
171.04535	1.7
173.02377	13.6
174.03145	2.4
175.04024	17.2
177.01924	2.9
187.03952	3.1
189.05569	3.2
191.03510	8.0
193.01332	2.6
197.02499	1.6
198.03273	3.4
199.04051	14.8
201.01985	23.8
209.04573	1.6
211.04095	1.5
213.01881	7.0
215.03503	5.4
215.07054	2.0
217.05014	6.7
223.04195	1.5
225.01875	1.6
233.04471	1.8
239.03511	2.7
241.01556	2.6
241.05052	12.6
242.02223	16.1
243.02995	100.0
245.04605	2.8
259.02515	6.0
267.03040	32.0
269.00946	77.5
271.02417	2.5
283.02542	3.3
283.05762	2.0
285.04095	15.7
295.02502	2.6
307.06110	2.4
308.03363	2.1
311.02039	36.5
349.07120	1.8
387.05304	1.9
403.08322	2.1
405.06219	30.5
407.07599	1.7
421.09299	2.0
445.15097	1.6
447.08847	6.1
573.10419	51.4
609.13013	2.2
777.16840	84.9
939.21930	2.8
981.23480	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	1067.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.9
85.02935	1.3
95.01392	0.8
101.02445	2.4
108.02200	1.0
109.02957	32.6
111.00888	2.4
113.02436	3.0
117.03455	0.6
119.05046	0.7
121.02907	0.6
123.00905	0.7
123.04519	1.3
124.01669	1.0
125.02422	0.8
132.02168	2.3
133.02956	24.5
134.03694	1.1
135.04526	29.4
137.02435	1.2
145.03015	0.5
147.04533	1.2
148.05327	1.0
149.06078	4.2
151.00446	0.8
151.03978	1.2
151.62164	0.5
152.01151	9.2
153.01945	75.4
161.02446	90.8
162.02798	0.8
165.01909	0.8
173.06097	0.6
174.03273	0.7
175.03993	10.3
177.05595	5.4
179.03474	17.4
179.04929	1.0
189.05576	0.6
195.02998	61.2
196.03314	0.5
198.55330	0.5
201.05597	0.7
203.03523	41.5
204.03828	0.9
217.05104	0.7
221.04536	4.5
225.04056	9.3
233.04466	0.7
237.03964	2.1
245.04510	5.4
255.05130	36.1
263.05615	0.6
293.04547	0.7
294.09912	0.6
297.06259	4.7
315.07239	0.6
319.02377	2.0
354.10257	0.6
370.86758	0.5
399.07178	3.2
417.08383	20.4
470.15732	0.6
473.18176	1.1
477.10452	47.1
478.11246	0.6
503.19034	1.0
533.20166	1.0
545.20459	0.8
573.12262	0.6
575.14148	100.0
576.14294	3.9
607.16779	4.5
823.27173	0.7
845.30585	0.7
890.13702	0.5
900.68604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	2.3
82.65153	0.5
83.01366	4.8
89.42973	0.6
93.03466	1.1
94.81441	0.6
95.05025	2.5
97.02959	4.7
107.04998	1.1
109.02946	23.4
121.02942	3.4
122.03719	1.0
123.04524	16.9
125.02433	100.0
126.02824	1.0
131.05046	1.2
133.02954	6.8
135.04506	4.3
136.01672	1.2
137.02444	26.8
139.03978	3.1
145.02972	0.7
146.03729	1.3
147.04524	1.2
149.02457	8.2
149.06035	0.6
150.03229	1.2
151.03995	21.5
153.16495	0.6
153.94191	0.5
159.04503	3.6
160.05261	1.1
161.01093	1.3
161.02441	33.8
161.06087	6.0
162.03204	3.1
163.00397	3.6
163.04048	5.0
164.01129	7.0
165.01917	6.8
165.05574	0.8
167.03505	2.7
174.03259	0.6
175.03990	15.3
175.07620	0.8
177.01895	6.8
178.02635	0.8
179.03502	7.0
183.04533	1.1
185.06033	0.7
187.04018	12.2
188.04828	5.3
189.02028	0.8
189.05542	1.0
190.02690	0.8
191.03510	0.8
193.05051	0.9
195.05183	0.6
199.03995	1.3
200.04808	0.9
201.05574	2.8
202.06355	2.9
203.03586	2.6
203.07137	12.9
205.01439	3.1
205.05087	10.3
211.04076	2.7
213.05632	2.7
214.02673	1.1
215.03505	2.7
217.05109	2.4
219.02846	0.9
219.06744	0.9
219.82596	0.7
221.08214	3.0
225.05663	1.4
227.03552	1.3
227.07137	1.4
228.04323	3.0
229.05042	6.8
231.02979	2.4
231.06581	0.7
241.04982	0.9
243.02971	3.7
243.06702	1.1
244.03627	0.7
245.04559	7.4
245.08203	21.2
247.06142	1.5
255.02959	13.3
256.03732	8.6
257.04495	3.1
259.06299	0.7
269.04575	2.9
271.06174	1.4
273.04019	5.1
280.03836	0.9
281.04584	6.8
282.01703	1.2
283.02505	2.5
284.03180	0.9
285.04105	6.5
287.05640	7.3
288.02924	0.8
288.06177	0.8
289.07208	56.7
290.07501	0.8
297.04016	2.8
297.07413	1.0
299.05597	4.3
315.08786	0.9
339.08768	8.4
349.15015	0.6
381.09766	1.0
389.06967	0.8
407.07785	65.0
407.12833	2.3
408.08044	2.5
425.08850	60.4
426.08902	2.8
451.10443	14.8
490.50156	0.6
559.12677	2.8
577.13568	57.7
578.14063	1.4
842.25323	0.8
953.52814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	5.3
77.03989	1.8
85.02987	1.5
87.00861	1.8
91.57256	1.4
95.05007	2.0
105.03454	12.4
121.02905	1.6
123.04570	1.9
129.01910	1.5
133.02956	100.0
134.03754	23.8
135.04538	5.8
137.02431	12.8
139.04047	2.6
150.03223	1.9
160.01692	2.2
177.01935	31.7
177.04164	1.6
178.02733	24.9
179.03529	6.3
183.01202	2.1
211.13382	3.1
229.11760	1.5
277.21780	6.7
325.18552	6.2
326.18893	3.1
327.15811	4.2
648.08142	1.5
655.52942	1.4
841.47620	8.1
867.45258	1.8
885.46680	16.8
904.70276	1.7
1063.51294	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	1061.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01407	1.3
85.02952	12.5
87.00880	2.4
89.02427	13.8
97.02923	1.6
97.06609	2.2
101.02429	14.2
108.02954	1.1
109.02955	1.1
113.02484	6.2
119.03489	1.6
125.02436	5.2
137.02425	1.5
137.09753	1.9
161.04607	1.6
171.10284	34.9
185.11885	1.6
195.13951	8.7
201.11385	1.5
211.13454	13.4
221.11795	1.9
223.13394	5.8
229.14499	9.5
235.08311	4.6
239.12923	1.5
275.20264	6.6
291.19736	2.7
293.21289	62.4
309.20807	10.4
327.21814	100.0
328.22192	2.2
335.50589	1.8
397.13513	28.0
415.14642	23.6
603.42859	2.6
691.35645	7.5
707.34924	13.6
725.36426	6.7
1001.57092	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	1061.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00888	2.2
76.57989	0.5
85.02976	3.5
89.02467	0.8
101.02463	2.6
105.03463	1.0
108.02197	1.3
109.02960	37.5
111.00867	1.4
112.04089	0.7
113.02460	2.7
123.04435	0.9
124.01659	1.3
129.01973	1.3
132.02159	1.4
133.02962	29.0
134.03758	8.2
135.04535	31.4
136.01643	2.6
137.02441	2.4
139.04001	0.7
145.02940	0.7
147.04456	1.4
149.06082	3.9
151.04024	6.5
152.01184	12.7
153.01955	73.8
161.02466	91.4
162.03064	3.6
165.01930	1.4
167.03464	0.8
167.04898	0.6
173.06076	0.8
175.04019	9.2
177.05544	6.8
178.02644	1.0
179.03531	19.9
185.02480	0.8
189.05602	0.7
191.03308	0.6
195.03018	59.6
195.04855	2.8
202.08849	0.7
203.03546	39.8
221.04544	4.0
225.04073	7.2
231.10223	4.9
233.04649	0.8
245.04556	3.3
245.09181	1.0
255.05135	29.1
263.10306	1.3
275.09314	13.8
276.09497	0.9
279.02844	1.0
297.06210	4.7
311.08987	0.7
319.02362	0.7
357.13605	2.9
381.05743	0.6
399.07248	3.7
400.44681	0.6
417.08377	18.6
447.95108	0.7
453.14102	5.1
470.18771	0.7
471.19669	0.7
477.10474	53.5
478.10443	0.7
510.52240	0.7
533.20935	1.1
545.20496	1.0
575.14178	100.0
576.14728	1.2
589.11700	0.6
607.17145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02936	5.9
77.03986	2.2
79.01897	0.8
83.01389	3.6
85.02959	6.5
85.44748	0.4
86.00134	0.6
87.00913	0.8
89.02463	2.2
93.03461	3.5
95.01403	1.8
97.02935	0.6
99.00910	0.7
101.02434	10.2
105.03480	1.7
108.02193	0.9
109.02932	3.0
112.01684	0.7
113.02451	7.6
117.03468	10.1
119.03517	0.5
119.05026	0.9
120.27860	0.4
121.02930	5.7
122.03742	3.9
123.04506	0.9
124.01677	0.6
125.02448	2.0
132.02188	1.5
133.02943	9.0
134.03722	0.5
135.04497	5.2
136.01624	0.6
137.02461	3.2
143.03537	0.9
145.02974	1.0
147.04556	2.6
149.02449	31.2
149.06090	3.4
150.03229	31.9
152.01160	0.9
153.01949	6.5
159.04500	2.9
161.02435	10.8
161.04573	1.8
162.03186	3.2
163.00328	0.6
163.04021	5.2
164.04810	6.2
165.05574	31.7
166.06305	2.9
167.03380	0.4
167.07129	1.6
175.04015	0.9
177.05544	2.3
179.03551	1.7
180.04286	1.7
181.08704	4.4
185.02432	0.6
189.02008	0.7
191.03506	2.0
193.01448	0.4
195.02988	6.0
195.04543	0.4
195.04858	0.5
195.06609	5.4
195.93112	0.4
197.06119	1.8
203.03499	3.4
211.07677	0.6
215.07236	0.6
221.06517	0.5
225.05672	0.6
237.05544	0.8
239.07127	3.3
241.04935	0.4
255.05083	2.9
268.03720	4.6
269.04535	3.4
270.08963	0.6
281.04593	4.1
282.05432	2.2
283.06143	78.0
284.06543	0.8
293.04498	3.8
295.06088	2.2
297.06287	0.8
311.05661	100.0
312.06015	1.6
314.04498	0.9
314.11639	5.4
315.12180	0.6
319.02390	0.8
323.05627	5.0
325.13037	5.0
329.13995	14.8
341.06696	9.3
343.14084	4.3
365.29022	0.4
371.14807	0.4
385.15668	0.7
413.15820	0.4
431.09863	56.9
432.10382	0.5
443.17554	0.7
458.15808	1.7
473.18213	31.8
474.18967	0.6
477.09897	1.7
491.19244	22.3
495.11340	5.1
521.20441	3.5
533.20331	31.4
539.21631	4.9
563.21265	0.5
575.14050	0.7
581.22479	80.2
582.22827	0.8
593.15216	2.1
956.69653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
81.75584	0.8
85.02960	3.1
97.75501	0.7
101.02447	5.1
109.02976	8.7
125.02430	1.7
129.01942	13.6
137.02478	0.8
149.02434	1.1
151.00394	1.2
152.01147	1.0
153.01942	9.8
161.02440	5.3
163.04024	0.9
175.04041	1.7
179.03604	1.1
185.02423	3.1
191.05063	1.3
193.06618	1.0
195.02968	3.1
201.01909	0.8
207.04561	2.8
219.04536	3.7
221.06152	1.2
223.04086	1.3
224.04765	0.8
225.05630	1.3
225.08849	0.8
235.04022	10.8
236.04814	1.7
237.05681	6.1
247.03981	4.4
248.04782	3.7
249.05522	3.2
250.02927	1.2
251.03523	1.5
252.04167	0.9
253.05040	1.6
255.05093	1.3
263.03500	21.3
264.04294	4.1
265.05157	8.8
267.06668	1.8
269.04587	1.5
275.03619	5.4
276.04269	5.6
279.02951	11.8
280.03793	4.9
281.04434	0.8
291.03046	15.2
292.03720	4.6
293.04602	42.2
297.03983	11.6
311.05780	1.2
319.02530	100.0
321.04175	6.3
324.02478	0.9
337.03574	11.8
339.05283	0.9
345.04047	0.9
359.05582	0.9
361.07257	0.9
379.04684	1.4
481.07397	1.8
567.10815	1.5
611.10181	1.5
613.47888	0.9
617.09290	3.4
703.12958	1.3
747.12164	18.0
765.13727	1.4
1039.19702	3.4
1057.21460	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	1054.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
74.66452	0.5
84.04569	2.4
92.05059	1.4
92.10206	1.0
94.06610	0.8
95.25899	0.6
96.04555	1.4
98.06132	1.3
109.02982	1.1
112.04052	31.4
119.05028	0.7
119.52423	0.6
120.04555	13.0
122.06123	1.3
124.03979	1.1
125.02454	2.9
133.02930	0.7
136.07684	23.7
138.05624	1.5
146.06155	4.5
148.04057	43.3
150.05609	3.9
153.01947	1.5
154.08751	28.9
160.06387	2.7
161.02480	3.0
161.04826	4.2
161.07181	1.1
162.05611	3.1
164.03526	0.8
164.07164	0.9
167.03566	1.3
171.06779	0.9
172.07689	3.9
174.04301	5.0
174.05638	1.7
174.09235	3.3
175.05151	1.2
175.06436	0.7
176.05864	9.7
176.07182	1.2
179.08269	3.9
184.09741	4.3
187.08784	0.8
189.06686	4.0
189.10294	3.1
190.08832	0.9
191.08362	1.3
200.07198	42.0
200.10904	0.9
201.07971	3.7
202.08859	10.4
204.10321	12.0
213.01997	0.6
215.08243	2.9
217.09848	74.4
218.10312	0.7
227.03520	6.0
229.05037	3.9
235.07199	1.3
242.11867	1.0
243.02983	1.0
243.07745	20.5
243.11325	5.2
244.06126	1.3
245.09317	2.4
247.10843	3.0
255.03032	15.5
256.03427	3.0
256.13474	1.4
257.04477	1.0
261.06094	1.2
261.08829	30.8
269.00854	1.3
269.09280	1.1
270.09958	0.9
271.10953	0.7
282.12503	5.4
284.03293	19.6
285.04019	24.9
285.12665	0.8
286.04340	3.2
287.10397	3.1
293.04642	0.9
294.12524	2.6
297.12506	0.8
303.13599	1.5
310.15598	4.2
315.13678	1.5
317.15076	6.0
319.02325	0.9
333.14597	1.5
336.13562	2.9
337.15546	3.1
339.12192	1.0
342.14859	1.1
352.13071	0.9
354.14587	25.3
360.15710	1.5
380.16132	5.6
381.15015	1.1
398.17197	7.0
416.18188	1.2
423.16818	2.6
424.15234	14.1
428.18399	3.8
446.19467	12.3
452.47049	0.7
468.17926	5.3
472.20932	3.5
489.10446	17.8
490.10864	4.0
490.21884	6.3
549.24084	0.7
561.23541	0.7
567.24396	4.2
591.24811	6.8
609.25800	50.7
623.27887	1.1
635.27209	7.9
653.28424	100.0
654.28442	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	1053.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02065	0.5
81.03465	5.2
83.01384	6.1
93.03457	4.4
95.50220	0.5
107.01405	3.3
109.02967	0.9
117.03449	2.6
119.05031	40.0
123.04530	34.6
125.02451	41.6
133.02902	0.6
137.02457	1.1
143.05029	2.6
145.02966	5.3
146.03630	0.7
149.02435	2.3
151.00385	19.2
153.01900	0.5
157.02933	1.0
159.04524	1.0
161.02422	2.9
163.03973	4.1
165.01923	4.6
165.36476	0.5
167.03506	84.5
169.01588	0.6
169.02921	0.9
171.04512	2.1
172.05247	0.5
173.02444	8.5
173.05989	0.8
174.03189	2.1
175.00317	2.8
175.04022	10.8
177.01933	3.3
179.03438	2.2
181.05096	1.1
183.04506	0.6
185.02457	2.4
185.06142	0.9
187.04030	5.0
188.04753	0.5
189.01918	0.6
191.03529	12.4
192.00656	1.8
193.01395	1.3
195.04630	0.8
197.02480	2.2
198.03226	5.2
199.04056	6.6
201.01962	26.4
203.03563	0.8
209.04544	4.3
211.04044	1.0
213.01982	5.2
213.05516	1.0
214.02715	0.8
215.03554	4.6
215.07129	2.7
217.05095	3.5
223.04068	1.3
225.01930	2.6
227.03516	0.8
229.01472	0.7
229.05086	0.9
233.04489	2.2
237.05528	0.7
239.03561	2.3
239.07227	0.9
240.04263	2.5
241.01419	3.5
241.05098	9.9
242.02246	13.0
243.02998	49.1
251.03416	0.6
254.05908	0.6
255.03001	1.0
256.00095	1.0
257.04208	0.6
259.02399	2.1
259.06125	1.1
267.02997	10.7
269.00958	73.2
271.02509	1.1
279.03198	0.7
281.04578	1.0
282.01907	0.5
283.02496	5.8
283.05878	1.9
285.04059	6.2
293.04523	0.7
295.02444	2.0
299.05399	0.7
307.05734	0.8
308.03354	3.6
309.04031	3.3
311.02048	13.2
321.07721	1.1
325.07129	0.8
333.04401	0.7
344.06982	0.7
345.07788	1.2
347.05750	0.7
348.06409	0.6
349.07230	0.7
351.05234	0.7
367.08362	0.8
371.09753	0.8
376.05942	0.9
379.08228	2.9
387.08853	6.6
388.06061	3.8
389.06726	70.3
390.06903	0.6
391.08264	2.9
403.08368	3.0
405.09641	3.8
411.07587	0.8
431.08167	4.2
447.09348	3.0
455.07675	0.5
489.10666	0.7
495.10959	0.7
513.11255	1.2
557.10980	28.0
558.11810	0.8
581.10773	2.0
593.13196	6.2
635.13855	1.2
719.15918	1.1
761.17328	100.0
762.17377	4.3
785.17780	0.8
827.19873	0.6
923.22174	1.1
965.23657	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	1053.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03451	7.0
83.01382	7.5
85.01254	0.3
92.10722	0.8
93.03453	3.7
93.55026	0.2
95.01426	0.3
95.05036	1.3
97.02973	0.5
99.04557	0.3
100.41270	0.3
106.96454	0.3
107.01393	4.8
108.02179	0.5
109.02968	1.1
116.28636	0.3
117.03477	2.5
119.05022	41.7
121.02972	1.1
123.04520	42.6
124.01659	0.4
125.02438	48.3
131.01364	0.6
131.05070	0.3
133.02925	1.1
134.03749	0.3
135.04495	0.6
137.02437	1.5
139.04013	1.0
143.05029	3.9
145.02945	7.3
146.03745	1.2
147.04535	1.3
149.02451	3.6
151.00375	20.7
151.03911	0.8
153.01938	0.4
157.02963	1.4
159.04526	1.1
161.02457	3.8
161.06033	0.5
163.00406	0.6
163.04013	5.9
164.01158	0.5
165.01921	5.7
165.03221	0.4
166.02652	0.5
167.03499	92.1
168.03827	0.5
169.01442	1.1
169.02905	1.0
169.06583	0.3
170.03801	0.4
171.04491	2.6
172.05283	0.5
173.02435	11.4
173.06085	1.6
174.03209	3.8
175.00490	2.1
175.04013	13.7
177.01955	3.7
179.03499	1.4
181.05051	2.8
183.04489	1.1
185.02507	2.2
185.06041	1.6
186.03258	0.6
187.04004	6.4
189.01939	0.5
189.05548	1.2
191.03505	11.4
192.00650	1.6
193.01430	2.4
193.05006	0.3
195.04605	0.3
196.05266	0.4
197.02446	3.1
197.06111	1.3
198.03244	4.8
199.04022	6.5
201.01961	27.6
202.02531	0.4
203.03554	1.2
209.04529	4.6
209.06224	0.4
211.04048	1.7
212.04752	0.4
213.01994	6.8
213.05588	1.8
214.02808	2.1
214.06432	0.4
215.03590	4.0
215.07079	3.4
216.04333	0.6
217.01576	0.4
217.05089	4.5
219.03000	1.4
221.04570	1.1
223.04030	1.5
225.01929	2.7
225.05428	0.4
226.02655	1.5
227.03485	1.5
229.01486	0.6
229.05048	1.9
230.02284	0.6
231.02939	0.4
233.04585	1.5
237.05515	1.1
238.06354	0.4
239.03532	2.1
239.07213	0.6
240.04202	2.3
241.01498	4.2
241.05046	7.7
241.99774	0.3
242.02217	11.3
243.02989	59.2
244.03424	1.2
245.04646	0.3
248.04755	0.3
249.05482	0.6
251.03400	0.4
253.01556	0.6
253.05046	0.4
254.02313	0.5
255.02998	1.5
256.00186	1.4
256.03729	0.5
257.04596	1.3
259.02530	2.7
259.06119	1.5
263.03598	0.4
263.07080	0.4
264.04181	0.4
265.05072	1.5
266.02139	0.3
267.03040	12.0
268.03479	0.3
269.00943	83.9
270.01407	1.6
271.02432	1.4
277.04974	0.6
279.03131	0.6
279.06613	0.5
280.03745	0.7
281.04523	2.2
281.07751	0.4
282.01874	0.6
282.05225	1.8
283.02487	6.8
283.06134	3.4
284.03128	0.5
285.04059	7.7
293.04733	2.0
295.02588	2.5
296.03293	0.4
297.04126	0.4
299.05630	1.1
303.06824	0.5
305.04529	1.0
305.07867	0.4
307.06171	1.7
308.03259	5.0
309.04034	3.1
311.02051	14.5
311.05322	0.7
315.06833	1.0
316.07388	1.0
319.06122	0.4
321.04102	0.4
321.07684	1.7
323.05582	0.5
325.03671	0.4
325.07254	1.0
327.05200	0.4
331.06100	0.5
343.06226	1.1
344.06964	0.4
345.07886	1.9
347.05658	2.3
349.07184	1.6
350.04288	1.0
351.05148	1.1
359.05865	0.4
360.06207	0.6
361.06964	0.4
361.10919	0.5
367.08273	1.4
369.07669	0.5
371.09906	2.3
373.07437	0.3
375.04886	0.6
376.05826	1.7
379.08255	4.0
387.04102	0.5
387.08804	9.9
388.05728	4.5
389.06714	80.5
390.06949	1.6
391.08432	2.7
393.06195	0.6
397.07730	0.6
402.07520	1.1
403.08258	3.1
405.09714	4.1
411.07443	1.6
431.07822	5.9
447.09375	4.3
473.07327	1.3
489.10410	0.5
512.10474	0.4
513.11072	2.0
555.11371	0.4
557.10944	31.6
558.11163	1.0
581.10840	1.3
593.13141	7.2
615.13770	1.2
623.11786	0.4
635.13867	2.9
717.17865	0.6
719.16248	2.1
761.17340	100.0
762.17706	3.5
785.17395	0.6
819.20679	0.5
845.18024	0.4
905.21149	0.3
923.22900	1.2
965.23779	11.6
1021.26825	0.3
1065.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	7.4
83.01369	8.3
85.02940	1.3
93.03439	4.0
107.01379	2.7
108.69067	1.2
109.02972	4.3
117.03473	1.4
119.05015	45.2
123.04517	44.0
125.02439	42.2
133.02919	1.7
135.04515	1.9
143.05031	4.4
145.02956	7.0
147.04607	1.2
149.02460	2.5
151.00372	23.4
153.01921	2.7
157.02913	1.4
161.02448	9.0
161.06026	1.5
163.03976	6.7
165.01903	6.4
167.03487	93.7
171.04550	2.2
173.02487	14.5
174.03157	4.1
175.00371	2.1
175.04004	16.6
177.01949	5.4
179.03436	1.6
182.89490	1.2
185.02347	2.2
187.04021	5.9
188.22878	1.1
188.74026	1.1
191.03535	9.2
193.01346	2.2
195.02936	1.5
197.02402	2.3
198.03259	6.4
199.03984	8.4
201.01923	25.1
201.77940	1.4
209.04532	2.4
213.01959	5.9
213.05611	1.2
214.02911	1.2
215.03464	4.6
215.07172	2.0
217.05054	7.0
225.01945	1.9
239.03470	2.6
240.04231	1.7
240.28148	1.2
241.01518	4.1
241.05116	10.0
242.02222	13.3
243.02982	51.5
257.04694	1.6
259.02383	1.6
267.02914	13.8
269.00934	81.6
270.01306	1.7
281.04602	2.0
283.02478	5.6
283.06006	1.5
285.04062	9.0
293.04681	1.8
295.02548	1.9
295.06015	1.5
306.04901	1.2
307.06284	1.7
308.03497	1.7
309.04056	4.2
311.02118	13.6
321.03915	1.4
321.07736	1.8
330.05508	1.2
345.07611	1.7
347.05640	2.3
371.09821	2.3
379.08273	5.3
387.08804	11.2
388.05981	2.6
389.06699	81.0
391.08185	1.8
403.08237	1.3
405.09958	2.4
431.07764	4.2
447.09564	5.1
449.71985	1.1
557.10938	49.1
593.12921	7.7
635.13873	2.0
719.15985	2.3
761.17383	100.0
762.16846	2.3
923.23889	1.8
965.23383	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	1051.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	2.7
93.03455	4.6
94.51241	0.3
107.01400	11.3
109.02964	0.6
119.05018	19.1
120.56689	0.3
125.02446	4.5
130.39246	0.2
131.01358	0.3
131.45012	0.2
133.02960	0.6
143.05026	1.2
145.02943	2.7
147.04507	0.5
149.02435	1.3
151.00377	52.3
155.04994	0.3
156.92636	0.3
159.04504	0.3
161.02409	2.6
163.04170	0.3
165.01936	1.2
169.01437	0.6
171.04527	2.7
173.02451	2.3
174.03084	0.4
175.00372	1.9
177.02032	0.4
183.04492	1.8
185.02422	0.4
185.06039	0.6
187.03998	3.1
189.05507	0.4
193.01414	2.3
195.02982	0.5
195.04561	0.5
198.03296	0.4
199.04031	1.1
203.03458	0.3
211.04018	3.5
212.04773	0.4
213.05626	1.5
215.03514	2.8
221.06293	0.3
225.05508	0.4
227.03505	4.4
229.01506	0.4
229.05092	1.1
237.05600	1.0
239.03532	7.3
240.04146	1.0
241.01436	1.3
241.05197	0.4
242.02249	0.4
253.01457	0.6
253.05072	0.5
254.02061	0.6
255.02985	4.2
256.03812	1.3
257.04575	8.0
259.02429	1.3
265.01532	0.4
266.02258	0.4
267.02972	0.6
268.00189	5.4
268.03479	0.5
269.00931	0.4
269.04547	2.3
271.06165	0.5
277.05243	0.4
279.03040	1.2
279.06631	0.4
280.03754	0.4
281.00955	0.6
281.04523	1.7
282.01779	2.8
283.02509	69.2
284.03012	1.2
293.04489	1.2
294.01886	0.5
294.04990	0.3
295.02570	2.0
295.06149	1.4
296.03146	2.5
297.04083	7.5
301.03650	1.4
305.04739	0.5
306.05438	0.4
309.00403	2.6
309.04117	6.9
319.02509	0.4
321.04092	2.0
322.04944	0.6
323.02090	0.6
323.05548	4.4
324.02789	4.4
325.03577	16.2
337.03595	1.2
339.05157	1.0
341.06680	0.6
347.05707	1.1
349.03561	4.9
359.09262	0.5
361.07266	0.6
365.06726	3.7
366.03824	0.4
367.04568	7.3
379.04477	0.4
379.21512	0.3
385.07376	0.6
389.06610	0.5
390.03662	0.4
391.04672	3.7
397.07932	0.4
401.07281	0.3
402.07385	1.3
403.08289	54.0
404.08478	1.6
409.05664	4.5
429.06107	4.3
435.03586	4.2
511.10654	0.5
529.09912	1.8
553.09045	0.3
555.09399	26.7
556.09875	0.6
571.10919	0.4
613.12469	0.5
639.10284	0.5
668.51459	0.3
717.14746	0.6
759.15802	100.0
760.15906	3.8
921.20837	1.0
963.22070	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	1051.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	3.2
89.45461	0.4
93.03451	5.2
99.65187	0.5
101.02480	0.6
107.01389	12.3
109.02965	2.4
113.02435	0.6
119.05024	20.1
125.02449	5.0
129.01932	0.8
132.75845	0.5
133.02927	2.1
137.02510	0.5
143.05055	1.0
145.02959	2.0
147.04556	0.8
151.00377	47.1
153.01945	3.2
161.02448	8.6
163.03932	0.5
165.01950	0.9
169.01482	0.8
169.02814	0.4
171.04550	1.8
173.02487	2.2
175.00441	0.6
179.03464	0.6
183.04477	1.1
185.02338	0.6
187.04018	2.4
189.05679	1.1
193.01479	1.8
194.02211	0.5
195.02985	2.2
195.65640	0.5
198.03233	0.5
203.03516	0.9
204.46443	0.5
211.03961	4.1
213.01900	0.7
213.05598	1.6
215.03577	3.5
217.01381	0.9
227.03542	3.3
229.05078	1.0
229.88698	0.5
235.04001	0.6
239.03540	6.7
241.05119	0.7
242.02187	0.5
251.03493	0.6
253.01521	0.7
253.05069	0.8
254.02328	0.7
255.02957	5.6
256.03729	1.0
257.04590	8.1
259.02405	0.7
268.00165	6.6
269.01035	0.8
269.04550	4.0
269.07404	0.6
271.06137	1.1
279.02844	0.9
281.04581	1.2
282.01694	3.5
283.02505	70.1
284.03070	0.6
293.04587	1.0
294.01834	0.5
295.02609	1.0
295.05927	0.8
296.03275	2.0
297.04041	8.1
299.05536	0.7
301.03506	1.0
305.04449	0.5
309.00671	1.8
309.03995	7.1
320.03198	0.5
321.04095	2.2
322.04794	1.0
323.05673	4.6
324.02670	3.9
325.03571	16.3
337.03647	0.7
339.04987	0.7
341.06644	0.9
347.05658	0.7
349.03470	4.1
363.04990	0.6
365.06689	3.4
367.04581	7.5
389.07028	0.5
391.04651	3.4
402.07651	0.9
403.08286	51.7
404.08490	0.8
409.05789	5.9
429.06253	4.4
435.03662	3.3
471.41003	0.5
529.10742	1.0
555.09399	26.3
571.10760	0.8
589.12390	3.7
590.12848	0.8
591.13007	0.6
717.14178	0.6
759.15784	100.0
760.16260	3.7
774.70386	0.6
921.21637	0.9
947.60974	0.6
962.18866	0.6
963.21710	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	1043.5808
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	3.9
75.00867	2.4
78.95930	3.1
80.02697	2.1
81.03481	2.3
83.01394	7.0
83.05048	8.2
85.02962	7.3
87.00876	4.4
89.02438	34.2
95.04980	2.2
97.02969	4.4
101.02437	27.2
109.06608	1.9
111.04557	2.5
111.08173	3.8
113.02458	16.6
119.03483	8.1
124.22889	1.8
125.02426	12.5
125.09769	4.4
127.07622	2.5
135.08186	3.9
137.21025	1.8
143.03532	2.1
153.09230	21.6
161.04594	3.9
163.11354	3.4
171.10289	33.6
178.10028	3.2
179.05598	8.3
179.10663	1.7
185.11870	8.9
195.13914	3.0
197.11847	9.7
209.11868	96.5
219.17982	1.8
221.06699	3.2
223.13446	3.8
223.18843	1.8
235.08208	7.1
238.12064	2.6
245.19029	2.8
246.37759	1.9
277.21756	63.8
289.18198	24.0
291.19711	29.9
293.21188	32.3
307.19196	100.0
323.09982	2.2
325.20297	34.3
379.12564	2.5
397.13556	41.6
415.14783	16.4
551.23633	2.2
592.02966	1.9
687.32837	21.1
705.33606	33.5
723.34283	4.3
896.47931	7.6
965.54871	76.9
983.55347	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	1043.5807
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	1.3
85.02954	2.2
87.00883	2.4
89.02444	16.5
92.10774	1.2
93.47012	0.9
97.02968	1.5
101.02441	15.5
111.08160	10.9
113.02465	7.8
119.03527	2.2
125.02422	6.1
125.03268	1.1
127.07616	1.2
144.42859	1.2
169.12355	6.2
171.10271	1.3
179.05586	4.4
195.13916	13.2
197.11847	49.9
199.13393	4.0
211.13449	9.4
223.13472	8.5
223.99269	1.0
227.13043	1.4
231.04503	1.1
235.08235	2.4
256.13223	1.2
263.20041	3.8
275.20157	7.8
291.19708	11.5
293.21265	100.0
295.12296	1.0
307.19101	1.3
309.20764	76.3
379.12466	1.2
397.13559	36.4
397.18356	2.1
415.14713	21.1
585.41925	3.6
612.82123	1.0
689.34021	4.7
691.35797	8.9
691.46088	1.1
707.35107	4.7
980.93542	1.2
983.55652	2.4
1035.78308	1.4
1068.27283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02962	1.7
74.97868	1.0
76.41686	1.1
76.51714	1.0
81.03466	1.6
83.01400	2.6
85.02983	5.5
87.00908	2.5
89.02441	18.4
95.01418	1.4
97.02968	1.9
97.06595	1.8
101.02447	15.1
109.06597	1.6
113.02444	9.7
119.03510	2.4
125.02457	5.7
125.09697	5.1
137.09706	2.9
147.33089	1.2
163.11307	6.9
179.05630	2.5
185.11856	7.7
191.14391	9.4
195.13940	7.6
197.11694	1.3
207.10327	2.2
209.11824	9.6
211.13353	2.6
221.06644	1.9
223.13486	5.0
225.11313	2.5
235.08118	1.7
236.14085	1.3
237.11353	1.7
245.19148	15.6
263.07874	1.4
263.20193	2.4
275.20242	7.3
289.18115	46.1
293.21271	100.0
294.21530	1.8
307.19168	42.2
379.12607	1.5
397.13538	27.8
415.14542	12.9
677.96838	1.5
687.32788	2.3
705.33551	6.0
705.82098	1.4
777.69562	1.4
981.54663	7.0
981.75397	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	1037.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02955	5.4
89.02448	5.5
101.02452	6.1
121.22719	3.6
122.19193	3.3
125.02451	6.4
135.54439	3.0
159.17044	2.9
161.43781	3.0
163.25168	3.4
171.10304	22.5
174.03354	3.4
210.23764	3.2
211.13469	12.0
229.14502	6.1
250.88377	3.1
293.21201	55.6
309.20621	5.7
327.21805	100.0
397.13702	39.8
415.14703	22.7
582.67761	4.8
603.42944	4.6
691.35248	23.3
693.88855	3.6
707.34845	24.5
1001.56726	39.7
1037.54895	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	17.6
81.03497	2.1
83.01388	8.6
83.32417	2.3
88.83146	1.6
89.02460	2.0
93.03503	2.3
97.02927	1.8
109.02956	34.0
117.03510	2.5
121.02980	15.2
123.00942	1.8
123.04507	19.4
125.02438	86.7
133.02940	18.5
135.00874	3.2
135.02983	36.3
135.04524	9.7
137.02443	38.3
139.04004	7.2
143.77438	1.8
145.02998	4.5
147.04526	8.0
147.67241	1.9
148.01607	2.4
149.02443	41.1
151.04042	21.4
153.02005	2.7
157.06589	2.4
159.04507	12.6
161.02443	67.9
161.06018	8.7
162.03197	2.9
162.99138	3.0
163.00388	44.8
163.04050	19.4
164.01129	16.8
165.01991	15.8
167.03468	3.2
171.04466	1.9
173.02438	3.8
173.06053	4.6
174.03256	4.3
175.04001	34.1
176.01117	12.0
177.01956	31.7
177.05621	2.4
179.03494	8.9
183.04507	3.7
185.02379	2.5
185.06021	7.9
186.03090	1.9
187.04028	16.8
188.04642	3.4
189.01941	100.0
189.05524	13.8
190.02606	7.5
191.03433	14.0
195.02869	1.9
197.06071	2.5
199.04062	14.7
201.01930	26.6
201.05637	3.8
203.00049	6.3
203.03578	7.2
203.07164	10.6
205.01430	8.3
205.05074	11.8
207.02931	8.7
211.04025	10.4
213.01979	2.0
213.05522	12.5
214.02756	3.2
215.03543	23.0
217.01443	18.8
217.05040	13.2
219.02985	13.8
224.04681	2.3
225.05510	4.5
226.02660	2.4
226.06215	2.4
227.03441	13.0
227.07089	2.7
228.04262	2.7
229.05040	14.0
231.03001	7.3
231.06566	2.3
237.05608	3.7
239.03491	8.3
240.04361	2.6
241.05101	15.6
243.03015	22.6
243.06761	2.2
245.00949	3.7
245.04506	8.4
245.08170	16.3
251.03558	2.8
252.04443	2.1
253.05000	13.6
255.02988	43.8
256.03705	12.1
257.04575	18.1
263.03275	2.6
264.04285	2.6
265.05045	3.4
267.03000	10.0
268.03854	3.2
269.04553	11.0
271.02533	2.8
273.04071	9.8
279.02972	12.8
279.06409	2.3
280.03592	2.0
281.04666	18.7
281.47327	2.1
282.01611	7.7
283.02466	18.8
283.06100	8.4
284.03159	4.2
285.04053	77.7
287.05438	2.5
288.02802	3.0
289.07227	38.4
291.05148	7.0
293.04483	7.8
294.05148	2.6
295.02481	4.2
295.05969	7.4
296.03342	2.7
297.03979	11.2
298.04968	2.0
299.05612	3.2
305.04395	3.7
307.02441	3.8
307.06097	8.4
309.03973	20.0
311.05536	2.8
317.04691	2.5
319.02502	3.5
319.06064	4.0
321.04108	3.7
321.07587	2.7
325.03394	14.9
327.05191	11.6
333.04099	2.5
335.05048	2.3
337.03592	9.1
339.05173	6.9
347.05399	2.9
351.05148	10.4
355.04910	3.7
359.05765	2.3
374.04443	2.3
375.05066	4.1
387.05084	3.8
389.06802	2.5
390.98425	2.2
407.07776	31.8
411.07269	74.1
415.04489	2.4
417.06268	7.7
423.07446	3.6
425.08621	9.0
445.09140	3.0
463.10742	3.2
479.10083	21.7
489.08286	34.1
507.09225	11.0
525.08411	3.8
529.32831	2.0
541.07916	10.8
559.08783	27.3
567.09344	3.6
577.13727	3.8
585.10553	11.0
601.09943	9.3
611.08496	20.8
615.11475	3.3
629.09039	15.8
634.10400	2.0
693.12445	18.1
711.13660	30.6
723.13019	2.3
738.12433	3.4
767.12622	6.8
857.17401	3.3
891.17590	10.0
901.16046	24.9
919.17865	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	1037.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99329	1.7
74.89812	1.0
75.00867	18.7
81.03449	1.6
81.06940	1.1
82.27491	1.1
83.01386	8.6
89.02435	1.9
89.03960	1.2
93.03456	4.5
95.01376	1.7
95.05048	1.3
97.02956	2.3
107.05019	2.3
108.02216	1.8
109.02961	29.4
117.03470	2.4
121.02943	12.9
122.03705	1.2
123.04520	21.0
124.01621	1.5
125.02438	71.3
131.05023	0.9
133.02962	16.3
135.00912	3.8
135.03004	32.9
135.04488	8.6
137.02441	33.5
139.03996	2.3
143.04990	1.3
145.02945	6.3
147.00888	4.3
147.04597	8.7
148.01628	2.0
149.02448	35.6
150.03259	2.0
151.00386	1.2
151.04047	19.3
153.01932	4.0
158.03716	1.0
159.04553	7.6
160.01622	1.4
161.02446	46.4
161.06081	7.6
162.03218	1.1
163.00375	36.6
163.03989	13.8
164.01170	13.3
165.01927	15.8
167.03545	1.7
171.04631	3.3
173.02538	7.1
173.06056	4.9
174.03172	4.8
175.03978	21.1
176.01195	10.9
177.01938	38.8
179.03439	8.3
183.04500	2.2
184.05241	1.1
185.02438	1.5
185.06049	4.8
187.04001	14.3
188.04808	5.2
189.01947	100.0
189.05553	13.1
190.02559	6.5
191.03477	10.0
195.02907	1.1
195.04518	2.0
197.06071	2.4
198.03215	2.4
199.04030	14.7
201.01976	25.4
201.05569	6.3
202.02734	4.7
202.99918	3.6
203.03499	8.1
203.07176	8.0
205.01466	8.0
205.03265	1.2
205.05070	9.0
207.02974	4.6
211.04054	13.6
212.04816	1.9
213.02002	4.5
213.05667	10.0
214.02751	4.0
215.03529	23.6
215.06984	3.1
216.04190	1.5
217.01442	15.5
217.05046	13.0
218.02011	1.8
219.02994	10.3
221.06201	1.4
221.08215	1.4
223.04054	1.9
225.02026	1.0
225.05618	4.8
227.03493	11.3
227.07178	2.4
228.04243	4.2
229.01436	1.4
229.05042	12.1
231.03014	7.9
231.06516	2.2
233.04445	1.9
237.05486	5.8
238.02538	1.4
239.03523	11.1
239.07162	1.9
240.04333	5.3
241.01485	2.2
241.05087	15.2
242.02173	1.6
243.02998	24.8
243.06598	1.4
244.03729	1.2
245.00836	5.3
245.04567	6.8
245.08122	13.0
246.01735	2.1
249.05605	2.1
251.03432	6.2
253.05190	9.9
254.02150	1.2
255.03011	38.7
255.06732	4.0
256.03879	8.4
256.06058	1.2
257.04587	18.7
259.02328	1.3
263.03461	1.7
264.04117	1.2
265.05069	6.5
266.02423	1.3
267.02957	9.4
267.06503	1.9
268.03625	5.6
269.04550	11.9
271.02600	1.6
271.05972	1.9
272.03506	1.7
273.04019	9.2
277.05057	1.7
279.02972	9.6
279.06488	1.9
280.03748	4.8
281.04456	15.0
282.01718	6.8
283.02457	18.4
283.06125	8.9
284.03201	6.5
285.04071	57.7
285.07339	1.9
286.04501	2.4
287.02151	1.3
287.05600	4.3
288.02692	1.7
289.04330	1.8
289.07248	32.1
293.04614	7.2
294.01807	1.4
294.05261	1.7
295.02490	6.2
295.06049	4.2
296.03336	2.3
297.04260	11.7
297.07416	1.9
299.05698	6.5
303.06656	1.5
305.04697	2.5
307.02603	2.1
307.06140	7.4
308.03232	1.8
309.03983	11.9
310.04886	1.2
311.05573	4.6
319.06067	4.4
321.04239	3.1
321.07535	1.8
323.01974	3.6
323.05835	6.2
324.02881	1.8
325.03455	16.6
325.06805	1.7
327.05185	7.0
331.06009	1.5
335.05582	1.9
337.03625	10.0
339.08676	2.3
343.05646	1.9
345.07867	1.3
346.04752	1.6
347.05695	2.5
349.03369	1.4
351.05063	12.5
353.03369	1.4
355.04736	8.4
359.05768	1.3
361.03345	1.6
363.05148	4.8
371.05389	2.3
373.03394	2.3
375.05139	6.0
387.05057	4.5
389.06775	3.2
391.04276	3.5
401.06720	1.7
403.04105	1.7
407.07748	28.0
411.07285	71.1
415.04742	6.5
417.06165	6.5
423.07208	2.5
425.08652	1.6
429.05939	1.4
435.07700	1.4
445.09821	1.7
450.05655	1.6
459.07251	1.7
461.08829	5.9
463.10864	4.5
475.07043	1.3
479.09912	19.6
485.05188	2.0
489.08405	35.0
507.09186	10.3
525.08478	1.8
541.07813	13.2
559.08905	23.9
567.09381	2.2
569.06958	1.2
583.08447	1.5
585.10443	8.1
599.08185	1.4
601.09900	6.9
611.08405	22.7
612.56989	1.3
613.10199	1.7
615.11676	6.3
622.66315	1.2
629.09705	16.4
661.50610	1.2
693.12384	16.2
709.12372	1.9
711.13672	29.3
719.39569	1.5
733.12000	2.1
738.11786	1.9
739.12463	4.6
747.12469	1.4
749.12317	1.9
767.12286	7.5
857.17468	2.4
875.17310	2.3
883.15265	4.3
891.18121	11.4
901.16473	23.1
919.17444	29.7
920.17816	2.5
946.72479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
79.72614	2.7
83.05022	3.5
85.02966	3.9
87.00866	3.4
87.44283	3.0
89.02449	14.5
95.04996	3.0
96.96012	5.2
97.06596	3.0
101.02425	12.2
102.05703	3.7
102.55918	2.8
113.02462	5.7
119.03502	3.4
123.80915	2.9
125.02416	5.5
133.03023	3.2
133.47838	3.4
135.08159	3.8
143.48882	3.0
145.02827	2.7
146.34573	2.9
153.09236	16.0
161.04588	3.2
163.11325	4.8
167.15222	3.7
171.10231	33.7
177.42218	3.0
178.10007	3.9
179.05705	4.9
185.11909	7.1
197.11801	6.8
209.11867	100.0
237.11092	3.5
238.12039	4.1
245.19020	6.2
289.18015	26.4
305.17267	2.9
307.15936	5.2
307.19211	85.8
307.22540	3.8
309.20538	3.4
325.20209	38.4
327.21899	4.8
397.13528	18.5
415.14594	5.8
636.26965	4.3
687.32526	12.9
705.33307	23.4
723.34424	4.8
859.42969	7.0
944.45618	4.2
995.51654	17.9
1013.52350	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	1030.557
Annotation	Unknow
Peak:m/z	Relative Intensity
80.77563	3.9
89.02447	17.2
101.02428	8.4
116.57026	4.7
126.89431	3.6
132.34259	3.9
154.69310	3.5
161.15804	3.5
195.13940	6.9
196.14336	6.3
265.68854	4.5
275.20090	4.4
276.20184	4.2
293.21329	100.0
294.21597	90.2
295.21844	31.6
296.22070	4.5
297.38837	4.7
318.61493	4.8
397.13596	15.4
398.13824	17.6
399.14072	7.2
415.14532	6.1
419.48914	4.4
857.61182	4.3
1054.69092	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	1031.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.4
82.02986	6.2
87.00906	0.7
94.02950	0.6
95.59612	0.4
96.04549	0.7
101.02416	0.5
107.04996	0.6
108.04554	0.8
109.02968	2.5
110.06134	0.5
112.04041	3.2
113.02499	0.7
118.49833	0.4
120.04543	5.7
121.06607	0.8
122.06110	0.9
125.02451	0.5
129.05533	4.2
130.17116	0.4
132.04570	0.6
133.02977	1.7
134.06139	0.9
135.04518	0.9
136.04092	0.5
136.07680	4.2
138.05597	1.0
138.09235	3.0
139.02625	0.5
146.06169	0.5
147.03391	0.5
147.04532	2.0
147.05627	0.7
148.04050	44.5
149.04842	2.9
149.05992	0.5
150.01900	0.6
150.05612	31.5
153.01906	3.2
154.05066	3.4
159.06850	0.6
159.08139	0.7
160.02829	1.3
160.04036	15.1
161.02504	5.8
161.04826	80.6
162.05603	6.1
163.02777	0.9
164.03560	3.4
164.07198	1.5
167.23080	0.4
168.10255	0.6
172.05334	1.0
173.03551	6.4
173.04845	1.4
173.06094	0.9
174.04338	11.0
174.05632	4.2
174.09146	0.7
175.05127	81.0
175.06343	3.9
176.05901	7.1
177.06696	1.8
179.03535	0.8
179.08304	0.8
186.05560	2.3
187.06396	4.1
188.07150	2.4
189.06711	5.4
190.05049	0.5
190.07466	14.8
190.08986	0.9
191.08281	11.1
195.02951	2.0
195.05003	0.6
199.14568	0.4
200.07191	2.3
200.10829	1.0
201.04510	0.6
201.07597	3.5
201.09557	3.9
202.03859	2.0
202.08849	16.5
203.04689	19.1
203.08354	2.1
204.06720	2.0
212.04796	0.4
213.10416	0.9
214.05199	0.9
214.11185	1.0
215.05946	2.8
215.08102	1.5
216.06720	9.4
216.10176	1.6
217.07419	1.7
217.09616	0.6
219.11383	1.8
226.08842	3.2
227.07217	0.7
228.06740	3.2
229.07568	3.6
230.10547	0.6
231.07880	4.1
232.08569	16.4
233.09326	47.6
234.09738	0.6
241.09824	0.6
242.08192	1.8
242.10603	1.0
243.07712	1.8
243.09117	0.4
243.11392	2.2
244.09842	97.8
245.06944	0.8
245.09296	10.5
246.07677	1.6
255.05318	1.3
261.12543	0.9
262.09586	0.7
263.10342	4.3
267.07727	0.5
271.08469	0.6
281.09296	0.5
285.08887	0.7
285.12204	0.5
286.09686	5.3
287.07831	0.6
287.10443	11.9
287.13974	2.9
288.08829	8.8
289.09497	1.0
295.10904	3.2
304.10709	0.8
305.11459	16.5
312.13547	2.4
313.12027	0.6
328.16623	0.6
337.10574	1.0
338.11630	7.0
339.12247	1.8
354.14725	2.4
370.17773	5.5
382.17719	0.7
400.18744	0.8
406.17703	1.9
424.18924	0.9
442.19913	4.2
449.15765	0.5
454.20047	0.9
455.18375	0.8
467.17075	1.7
468.17831	100.0
469.18228	1.9
472.20926	12.4
477.10474	1.0
563.25629	1.8
575.14160	0.8
587.26282	0.5
591.13745	0.5
605.26294	32.4
606.26361	0.9
617.26172	2.5
635.27350	71.4
636.27930	0.7
699.16504	0.5
1008.60229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70777	0.1
55.01897	0.1
57.03454	10.8
58.99609	0.4
59.01384	100.0
59.04997	0.1
60.01715	0.5
63.43120	0.1
73.96400	0.1
75.00872	0.4
77.44172	0.1
85.02950	2.8
101.02441	1.6
103.00373	5.5
103.04005	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	103.0036
Annotation	Malonate
Peak:m/z	Relative Intensity
50.70777	0.1
55.01897	0.1
57.03454	10.8
58.99609	0.4
59.01384	100.0
59.04997	0.1
60.01715	0.5
63.43120	0.1
73.96400	0.1
75.00872	0.4
77.44172	0.1
85.02950	2.8
101.02441	1.6
103.00373	5.5
103.04005	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	1027.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	16.9
72.92835	1.1
73.02956	2.3
76.57745	0.9
76.94094	0.9
83.01410	1.0
85.02948	4.3
87.00880	6.9
89.02436	21.1
97.02966	1.7
101.02448	15.0
111.08148	12.5
113.02459	10.6
119.03493	4.9
125.02493	7.7
143.03473	1.3
161.04573	2.2
169.12361	4.3
175.78448	1.0
179.05579	5.8
181.12326	1.2
197.11852	60.4
199.13396	2.1
209.15523	2.1
211.13434	7.7
225.15044	1.8
227.12790	1.4
235.08235	7.2
251.16452	2.0
263.20197	2.5
265.18170	1.4
277.21741	49.1
291.19794	17.9
305.08780	1.8
309.20770	100.0
379.12701	3.9
397.13516	55.2
415.14587	16.6
480.51993	1.1
675.35913	2.5
689.33917	5.3
707.35620	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	1027.586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	21.0
72.99294	1.1
73.02946	4.2
83.01389	1.3
85.02969	7.1
87.00876	5.6
89.02449	20.2
97.02939	5.1
101.02443	16.0
111.08159	10.0
113.02471	7.8
115.40825	1.3
119.03494	4.8
124.47146	1.0
125.02456	7.1
137.09720	1.2
161.04573	5.5
169.12268	5.3
171.10294	6.6
171.87314	1.2
179.05615	4.6
185.11948	2.1
197.11850	50.3
199.13452	2.2
207.30840	1.0
209.15456	4.9
211.13422	7.4
220.68230	1.1
221.06700	1.2
223.17078	1.4
225.14886	2.2
227.12767	1.3
235.08182	4.2
251.16521	4.6
257.15640	1.2
263.20209	1.5
265.18124	1.4
277.21738	63.2
287.07571	1.1
291.19708	23.0
309.20770	100.0
339.87982	1.2
379.12375	4.8
397.13577	49.6
415.14618	18.2
675.35657	4.6
689.33997	6.0
707.34674	5.4
923.69409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	22.5
72.42252	2.8
75.69793	2.5
82.60175	2.6
83.01436	4.1
85.02980	3.7
87.00863	3.0
89.02462	21.0
92.65891	2.9
97.02966	5.8
97.06616	3.6
101.02458	20.8
113.02464	14.9
116.92877	3.1
119.03530	4.4
123.04531	3.9
125.02475	6.4
125.09732	6.6
135.20369	3.1
140.48679	3.2
143.03526	3.0
163.11256	12.9
185.11809	14.0
191.14449	5.2
207.10327	4.5
209.11861	20.3
211.13499	3.9
225.11322	5.3
235.08362	5.5
245.19054	25.6
277.21768	100.0
289.18115	91.6
307.19189	91.6
379.12305	4.6
397.13535	45.7
415.14600	10.6
499.22156	3.2
687.32361	5.1
690.21002	3.4
705.33044	3.7
854.56586	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	1021.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00881	18.3
83.01389	5.4
93.03458	12.1
105.03510	3.6
106.16262	3.5
109.02975	27.8
117.03433	5.2
121.02946	7.5
121.36932	3.1
123.04530	24.3
125.02426	77.1
133.02925	19.1
135.02986	38.1
135.04539	11.0
137.02457	64.7
142.32237	2.8
145.02957	4.3
149.02415	41.7
151.03990	19.5
153.01941	3.6
157.51598	3.4
159.04527	5.7
161.02431	70.9
163.00342	26.1
163.03999	16.6
164.01120	13.5
165.01912	13.0
173.02399	3.0
174.03105	3.5
175.04042	21.1
176.01161	6.3
177.01967	27.6
177.05487	3.5
179.03481	15.8
183.04517	4.0
185.06007	4.8
187.04027	15.1
189.01941	100.0
189.05634	6.7
191.03445	14.0
191.05617	3.1
197.06020	3.9
199.03986	13.1
201.01956	17.6
201.05527	7.4
203.03465	5.0
203.07181	14.3
205.01314	4.9
205.05119	6.7
207.03050	4.8
207.39284	3.2
211.03990	12.2
213.05621	6.6
215.03511	14.1
217.01433	11.5
217.04994	6.3
225.05499	6.6
227.03474	13.2
229.05109	12.0
237.05707	4.5
239.07222	4.7
241.05002	19.0
243.02995	17.2
245.04556	3.0
245.08087	6.9
253.05081	5.6
255.03018	38.4
255.05551	3.6
255.06436	2.8
256.03696	6.5
257.04672	5.9
265.04892	4.6
267.03094	5.9
267.06409	3.4
268.03784	4.0
269.04584	53.7
279.03064	3.3
279.06396	3.7
281.04483	18.2
283.02515	5.1
283.06155	3.7
285.04138	5.2
289.07126	42.5
293.04547	5.3
296.03262	4.2
297.03952	4.6
307.06091	5.8
309.04279	5.0
319.02487	4.9
323.05899	4.8
325.03638	4.4
327.05185	4.5
337.03607	5.9
343.05988	4.4
351.04990	5.2
355.04785	6.4
371.05554	3.9
395.07745	84.5
407.07852	23.6
421.09430	3.8
433.05826	3.2
434.06317	4.1
445.09216	6.4
447.07074	11.5
463.09705	3.5
479.09814	16.8
489.08099	34.2
507.09894	7.5
525.08405	18.5
538.90289	3.3
543.09326	23.0
551.10052	4.4
569.10718	12.1
585.10461	5.9
595.08844	34.7
613.09869	14.0
615.12714	3.6
677.13257	37.9
695.14172	35.9
723.13562	3.6
733.12018	5.2
751.13037	6.0
841.17847	3.9
847.41351	3.6
875.18274	21.1
885.16803	28.1
903.17688	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	8.5
76.03610	2.0
85.02971	11.2
89.02452	12.1
97.06574	2.3
101.02464	10.7
111.08141	2.9
113.02494	2.1
125.02451	3.2
137.09755	2.8
171.10275	37.6
183.13911	3.3
197.11827	24.9
202.70039	2.0
209.11757	3.1
211.13414	20.6
221.01286	2.1
221.11852	2.6
229.14444	12.7
231.14540	2.1
291.19662	13.6
309.20786	43.9
327.21805	100.0
343.21036	2.1
397.13589	16.4
406.40219	2.1
415.14536	16.2
665.15021	2.2
707.35120	12.0
725.36151	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	1017.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	17.9
79.87492	1.9
83.01406	2.1
85.02533	2.0
85.02950	16.5
87.00893	3.1
89.02449	19.9
97.02962	3.7
97.06552	2.7
99.92596	3.1
101.02432	18.6
109.02959	2.6
111.08188	3.8
113.02473	11.2
116.92883	10.2
119.03536	7.6
125.02447	10.4
131.41458	2.2
137.02490	2.0
143.03535	1.9
161.04582	2.9
163.27956	1.8
171.10268	23.0
179.05673	3.5
195.13939	12.0
197.11809	2.8
209.11896	36.2
211.13483	15.1
221.12042	2.7
223.13374	2.3
229.14455	13.6
235.08224	7.7
291.19659	64.1
293.21307	34.3
309.20929	4.8
327.21793	100.0
339.36215	2.0
370.17419	2.1
397.13638	37.7
415.14279	15.4
500.96054	2.3
514.67041	2.3
765.29718	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	1011.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66611	0.5
71.01383	11.3
73.02955	2.4
76.41490	0.5
83.01418	0.6
85.02979	2.4
87.00890	2.5
89.02438	12.8
89.02937	0.8
95.01390	0.7
97.02939	1.2
99.00873	0.7
101.02456	9.7
111.00922	0.5
111.08204	0.9
113.02453	5.0
113.09790	0.5
119.03485	2.9
125.02457	3.5
139.03986	0.7
143.03569	0.9
161.04582	2.2
179.05624	3.6
179.14453	0.7
190.15871	0.6
195.13930	9.6
196.14668	0.6
205.12381	0.6
223.13374	5.8
228.13972	0.6
229.41179	0.5
235.08307	3.3
256.13254	1.1
275.20197	7.0
277.19199	0.6
277.21732	38.4
293.21271	100.0
305.08862	1.1
323.09952	0.8
379.12473	3.4
397.13562	28.1
415.14688	10.1
440.74042	0.5
475.94147	0.6
673.34277	2.8
675.35535	1.8
691.35614	4.1
762.03754	0.7
984.66547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	9.7
73.02957	1.7
83.01418	1.3
85.02972	1.9
87.00855	1.5
89.02422	12.6
92.10095	6.3
97.02978	1.7
97.06594	9.5
99.00906	1.4
101.02419	9.8
101.76251	1.4
113.02474	5.5
119.03503	3.0
125.02464	5.9
137.09721	1.5
151.11214	1.3
161.04611	1.9
171.10266	9.9
186.04758	1.4
193.12361	16.9
195.13904	7.8
197.11865	3.2
209.11824	2.3
211.13402	6.6
223.13438	5.4
225.14938	20.5
225.78128	1.2
225.97437	1.2
235.08128	1.5
243.16031	8.1
275.20102	2.5
291.19669	5.3
293.21252	55.8
307.19266	2.8
309.20715	1.9
341.23367	100.0
354.10754	1.5
397.13553	17.5
415.14545	15.9
574.70093	1.4
616.50409	1.4
617.44080	5.8
721.37024	1.8
739.37848	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	1011.5908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	16.6
73.02968	3.8
75.78161	0.9
83.01422	1.1
85.02979	4.2
85.03488	0.8
86.32393	1.0
87.00875	2.2
89.02432	15.4
89.80154	0.8
92.10746	1.8
97.02936	1.0
99.00922	1.2
101.02437	13.8
113.02433	7.8
119.03502	4.8
125.02448	6.2
143.03539	2.2
149.04514	1.0
161.04568	1.9
171.59760	1.0
179.05595	1.8
195.13939	11.4
223.13454	4.1
228.13728	1.4
235.08237	4.4
275.20331	7.4
275.22882	1.4
277.21735	51.2
278.22333	1.0
287.07721	1.0
293.21262	100.0
301.89706	1.0
305.08768	1.9
321.16986	1.1
379.12512	5.3
397.13547	42.1
415.14627	10.3
675.36237	5.7
691.35602	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	1011.22
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	1.2
83.01394	5.0
87.00885	1.9
91.01908	1.0
93.03466	2.1
95.05032	1.5
97.02952	3.6
105.01939	3.8
105.03453	1.2
107.05031	6.0
108.02175	1.4
109.02956	23.6
113.02397	1.3
115.00352	1.0
117.03455	4.3
119.05038	3.7
121.02953	9.8
123.04524	20.6
125.02440	43.8
132.02090	2.6
133.02951	16.3
135.04527	34.7
137.02449	18.3
137.06104	1.0
139.03995	1.2
140.97464	0.8
143.04990	1.1
145.02965	5.1
146.03769	1.3
147.00906	1.6
147.04524	10.2
148.01617	1.1
149.02454	27.2
149.03601	1.6
149.06120	2.2
150.03308	3.1
151.00383	4.9
151.04013	15.9
152.01059	1.5
153.01962	7.0
159.04515	8.2
161.02449	53.6
161.06143	3.2
162.03188	5.8
163.00385	18.4
163.04013	60.1
164.01183	5.2
165.01888	6.7
165.05569	1.6
167.03545	2.1
171.04501	1.5
173.02502	1.9
173.06082	3.6
174.03229	5.1
175.02493	1.6
175.04001	38.7
176.01147	1.9
176.04443	1.5
177.01953	19.3
177.05566	4.1
179.03493	12.5
183.04559	2.2
185.02461	1.4
185.06064	1.6
187.04033	9.8
188.04778	1.4
189.01949	100.0
189.05431	6.8
190.02780	9.6
191.03517	82.8
192.03885	1.2
193.05106	1.6
199.04010	9.1
201.01909	9.7
201.05594	5.7
202.02702	7.8
203.03517	23.7
203.07214	5.3
205.01469	4.4
205.05055	10.5
207.03038	14.3
209.04596	7.8
211.04050	3.8
213.01982	4.9
213.05621	5.5
214.02760	2.2
215.03523	8.2
217.01442	2.0
217.05113	8.9
219.03011	90.6
220.03653	4.0
221.04599	24.2
225.05565	1.7
227.03577	7.6
228.04176	1.5
229.01636	1.0
229.05086	5.6
231.03009	24.8
231.06601	2.1
233.04550	4.6
241.05096	5.3
243.02988	13.9
243.06572	1.3
244.03496	1.1
245.04454	8.5
245.08174	8.4
246.01765	1.5
247.06108	1.2
249.03923	9.1
251.03485	1.2
253.05127	2.2
255.03047	23.6
256.03790	7.8
257.04688	7.8
265.05023	1.6
267.03110	4.3
267.06775	1.3
268.03690	1.0
269.04556	4.7
273.04071	18.3
277.05060	1.1
279.03046	1.9
280.03696	1.1
281.04599	5.3
283.02481	8.4
283.06085	5.7
284.03220	1.6
285.04065	36.9
285.07126	1.2
288.02747	1.2
289.07239	15.7
291.05090	20.4
297.04080	4.0
307.06064	4.2
309.03302	1.2
309.06311	29.5
319.06113	1.2
321.04147	1.2
325.07413	1.2
327.05060	1.7
329.06845	1.9
333.04239	1.3
335.05658	1.2
337.03204	1.5
341.06540	1.3
351.05185	1.2
358.08350	1.2
373.03387	1.5
375.05273	1.3
387.04919	1.5
389.06488	1.6
407.07800	28.4
408.08093	1.3
411.07248	43.1
412.07468	1.3
425.08731	3.8
437.08942	2.0
461.08911	1.4
479.10071	11.6
509.10925	17.5
519.14563	1.1
521.10748	1.0
525.07941	1.2
539.11121	2.1
541.07471	9.6
559.08984	28.2
560.09723	1.4
563.12250	1.8
567.09607	3.0
581.13220	2.0
589.10284	1.9
599.14087	3.3
601.09528	1.1
631.11133	5.8
657.10480	1.2
693.12842	18.1
694.13098	1.6
711.13733	43.4
712.14032	3.9
750.03552	1.0
891.18103	7.7
921.19177	7.6
993.20209	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	101.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13000	0.7
55.01704	0.7
55.01884	11.0
57.03452	67.4
58.00598	1.4
59.01105	1.4
59.01384	22.9
60.45326	0.8
62.04829	0.8
70.06773	0.8
71.01382	10.8
72.99326	1.1
73.02943	36.4
76.05518	0.9
83.01390	5.1
90.20998	0.9
100.94598	22.6
100.95180	3.8
100.96012	6.2
101.02435	100.0
113.21322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54787	3.0
71.01384	3.3
75.72865	2.4
83.01398	5.7
87.00895	3.5
89.26791	2.6
92.10838	3.1
93.03431	2.8
105.01921	27.7
109.02946	33.7
117.03474	4.2
119.05034	4.1
121.02940	15.4
122.03716	5.5
123.04523	34.8
125.02439	65.0
125.16113	2.9
131.05064	2.7
133.02989	19.2
135.04529	39.5
137.02425	26.3
145.02972	11.0
147.04485	19.0
149.02461	34.0
150.03386	2.9
151.04015	36.0
153.01907	3.8
159.04556	5.0
161.02440	100.0
161.06073	3.0
162.03156	5.1
163.00363	29.1
163.04015	74.5
164.01132	4.8
165.01886	11.9
173.02467	3.6
173.06152	3.7
174.03232	4.2
175.04013	46.6
176.01129	6.0
177.01913	30.4
179.03502	13.6
185.02386	3.1
185.06053	3.8
187.04030	20.5
189.01962	48.1
189.05553	5.4
190.02684	11.3
191.03529	82.7
195.02946	22.3
199.04042	11.3
201.01912	19.4
203.03537	23.1
203.07140	6.3
205.01439	46.2
205.05081	11.9
207.03053	14.3
209.04578	25.4
211.04118	6.1
213.05522	4.8
214.02791	2.9
215.03595	19.0
216.00613	5.0
216.04417	3.0
217.01518	22.7
217.05026	10.6
219.03015	96.2
221.04535	10.0
225.05504	3.1
227.03473	10.5
229.01418	10.9
229.05086	5.3
231.03009	13.6
239.03448	3.8
241.05049	11.4
242.02202	3.1
243.02995	28.4
245.04585	5.6
245.08214	3.3
246.01607	3.7
247.02461	39.3
253.05103	4.5
255.03008	37.9
256.03763	14.8
257.04495	12.6
259.02512	4.6
261.03885	4.2
265.04984	4.0
267.02945	4.9
269.04575	4.7
271.02670	5.3
271.86115	2.8
273.04077	3.9
279.03046	5.5
281.04507	10.9
282.01797	4.2
283.02545	5.1
284.03448	3.3
285.04102	52.9
289.07172	27.6
293.04559	10.4
295.02414	4.2
297.06461	5.2
303.06409	3.6
307.04633	35.1
309.03986	11.3
335.05826	3.4
339.08890	4.1
373.03687	3.9
375.05240	4.1
403.04538	2.8
407.07797	49.7
411.07352	38.7
425.08667	3.3
477.08197	4.2
495.09363	17.3
509.11249	3.8
525.08545	6.5
541.08032	11.7
559.09003	41.8
597.12091	3.3
599.08813	3.1
693.12769	38.3
711.13550	61.4
857.15656	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	1005.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.7
72.99316	1.9
75.00867	30.4
83.01406	9.3
89.02458	2.6
93.03440	12.3
95.01395	2.2
97.02972	8.9
101.70461	1.5
107.05014	3.3
109.02969	7.6
117.03467	7.3
119.05016	3.7
121.02960	7.0
123.04539	12.7
124.01695	2.0
125.02440	58.1
133.02948	15.2
135.01993	2.4
135.03006	49.2
135.04509	14.3
137.02429	34.5
139.04068	1.8
145.02985	10.0
147.00903	3.2
147.04544	6.5
149.02449	41.3
150.03185	1.6
151.04019	7.0
153.01982	3.1
155.05092	1.7
159.04556	3.2
161.02444	49.5
161.03717	2.5
161.06055	2.8
163.00375	28.0
163.04044	14.3
164.01146	19.2
165.01910	7.6
169.06601	2.1
171.04451	1.9
173.02467	2.1
173.06036	3.2
174.03148	2.6
175.03964	11.7
176.01172	10.0
177.01927	34.6
179.03523	3.6
181.43869	1.7
183.04530	1.8
185.02429	2.6
187.04007	10.4
187.07655	3.7
189.01942	82.4
189.05579	14.5
190.02678	3.6
191.03548	8.6
195.04944	1.6
197.06116	3.0
199.04042	12.6
201.01953	15.8
201.05600	6.7
203.03583	8.4
205.01382	2.3
205.05101	2.3
207.02971	3.0
209.06192	2.6
211.04097	11.7
212.04863	2.1
213.01961	2.4
213.05588	8.5
215.03551	13.4
217.01418	18.0
217.04987	2.7
219.03008	6.6
223.03850	2.0
225.05588	8.4
225.40483	1.6
227.03529	6.6
229.05035	3.9
229.08658	2.8
231.02998	6.4
231.06696	7.0
237.05653	2.3
239.03555	10.8
239.07123	3.3
240.04213	2.2
241.05054	11.7
243.03055	11.8
245.00876	3.7
245.04626	3.4
249.05554	2.0
253.05142	12.4
255.02965	44.4
255.06787	3.4
256.03683	12.5
257.04663	8.6
265.05225	2.6
267.03012	11.1
267.06506	6.3
269.04544	46.5
271.06094	2.8
273.07648	21.0
279.03107	6.1
280.03772	6.6
281.04550	13.1
282.01779	2.6
283.02466	6.3
283.06006	3.6
285.04047	2.4
289.07162	2.0
291.06653	1.8
292.03702	2.3
293.04404	12.2
295.02631	3.0
295.06180	2.9
297.04095	7.2
299.05719	2.1
305.04791	2.3
309.04245	6.6
311.05695	8.8
315.06659	1.9
317.04443	2.0
319.06055	3.0
321.04037	3.8
323.05606	2.2
325.03381	7.2
327.05048	1.9
331.06296	1.9
335.05429	2.7
337.03601	6.2
343.06180	2.7
347.05414	3.0
355.04770	3.2
359.05569	2.0
371.05722	2.5
375.05179	3.5
387.04898	3.2
391.08292	7.6
394.06906	3.2
395.07788	100.0
399.05167	2.7
405.06018	2.1
407.07806	10.8
415.04807	2.0
421.09335	3.2
434.06528	3.1
435.07321	3.7
445.09811	2.2
447.07465	8.5
463.10611	3.5
473.08878	18.6
489.09613	2.1
491.09958	6.4
499.10870	2.2
525.08453	20.4
543.09259	30.1
551.10052	6.2
567.09717	1.9
569.10992	15.0
583.08356	2.3
585.10150	13.6
595.08936	44.7
613.09802	30.2
630.10980	1.7
661.13885	8.7
679.14703	47.1
706.13550	3.7
707.13702	6.7
733.11816	2.2
843.19751	2.1
859.18719	13.6
866.81519	2.4
869.17450	23.6
879.60895	1.8
887.18500	26.8
918.49854	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	1005.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	14.4
78.15394	1.0
81.03476	4.9
83.01392	9.4
89.02457	1.8
93.03444	8.9
95.01426	1.1
95.05050	5.8
97.02952	8.2
105.03510	1.1
107.05055	1.3
108.02219	2.0
109.02959	33.4
109.03681	1.4
117.03505	2.6
119.05087	1.6
119.97730	1.1
121.02982	10.7
122.03737	2.4
123.04526	28.5
124.01672	2.1
125.01535	2.3
125.02449	60.7
128.45769	1.0
133.02983	6.9
135.03004	20.1
135.04549	6.9
137.02454	57.2
137.03513	2.4
139.04034	6.4
143.05099	1.3
145.02989	5.6
145.06621	1.1
146.03712	1.1
147.00868	1.4
147.04573	5.2
148.01625	1.7
149.01282	1.3
149.02460	34.2
151.00391	2.3
151.04028	16.3
159.04550	8.5
160.05330	1.2
161.02484	14.6
161.06099	10.8
162.03255	2.7
163.00388	24.8
163.04053	5.5
164.01187	17.4
165.01921	12.4
165.05637	1.1
167.03549	2.7
169.06538	1.4
171.04488	4.0
173.02423	2.2
173.06073	1.8
174.03242	2.7
174.06918	1.3
175.04051	14.4
175.07599	5.2
176.01208	12.0
177.01964	22.6
177.05560	1.2
179.03540	10.9
181.06622	1.6
183.04518	2.3
185.06131	2.2
187.04039	11.0
188.04823	5.4
189.05612	4.0
190.02759	1.7
191.03526	2.5
197.06050	5.7
199.04008	5.7
199.07689	2.1
201.01961	2.5
201.05589	6.2
202.06380	2.5
203.03539	4.4
203.07164	24.9
205.01479	11.6
205.05078	20.7
208.22260	1.1
209.06200	1.6
211.04027	5.0
212.04735	1.6
213.02055	1.6
213.05669	6.4
215.03549	4.4
217.05066	2.6
221.06293	1.5
221.08275	5.6
223.04065	2.0
224.04793	1.2
225.05638	5.9
227.03568	4.5
227.07118	5.9
229.05132	5.7
231.03065	2.7
237.05698	4.7
239.07185	1.5
240.04378	1.6
241.05118	11.5
242.05865	1.7
243.02991	7.3
243.06635	1.7
245.08231	30.7
247.06245	1.7
251.03406	2.0
253.05032	7.5
255.03041	14.7
255.06456	2.1
256.03778	1.8
257.04617	2.6
265.05124	4.1
267.03058	4.9
267.06638	4.5
268.03796	4.9
269.04630	28.3
269.07446	1.7
271.06131	2.1
274.25580	1.2
277.05273	1.7
279.03030	1.8
279.06583	1.7
281.04684	7.6
283.02737	1.8
283.06039	4.9
289.07236	100.0
291.06650	2.7
293.04636	5.7
295.02524	3.8
295.05835	1.2
297.04233	1.8
297.07660	1.3
299.05377	3.5
301.07141	2.3
307.06155	2.2
308.03604	2.3
309.04068	6.7
311.05554	3.9
319.06168	2.3
321.04166	1.9
327.05225	2.5
329.06641	1.6
335.06006	1.8
339.05276	5.1
339.87836	1.3
343.06042	1.3
359.05466	1.5
371.05737	2.2
375.04968	1.5
395.07800	46.0
401.06833	7.7
407.07809	11.3
434.06427	15.6
435.07364	6.6
445.09833	1.6
447.07306	2.6
463.10291	12.4
473.08896	2.7
489.10153	1.4
491.09692	4.9
492.52820	1.2
525.08240	4.1
543.09521	2.7
551.09949	5.4
569.10864	22.3
579.09381	8.8
581.11230	1.6
597.10535	22.7
632.29327	1.5
677.12555	8.4
695.14258	4.6
697.70953	1.4
735.13727	20.3
851.15717	2.4
859.19116	5.7
869.16656	9.8
887.18542	69.5
888.18494	4.2
901.20044	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	1001.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	15.2
73.02937	1.2
83.01385	1.4
85.02950	10.3
87.00903	3.4
89.02441	15.2
93.28909	0.8
95.01419	1.2
97.02962	3.1
97.06603	3.4
101.02439	11.3
110.22666	0.8
113.02463	5.4
119.03519	3.8
125.02452	4.5
125.09698	1.0
127.11330	3.0
131.03461	0.7
135.07297	0.8
137.02429	0.9
137.09711	1.6
143.03554	1.1
161.04604	1.4
171.10274	23.3
179.05591	1.6
183.13898	5.6
185.11757	0.9
193.12489	0.9
195.13968	7.7
205.12497	1.0
209.11847	2.9
211.13435	21.2
221.06673	1.2
221.11821	4.5
223.13455	4.3
229.14459	16.2
235.08243	1.5
239.13010	1.2
275.20264	5.1
291.19672	5.5
293.21268	58.6
296.07736	0.9
309.20831	8.5
321.13034	0.7
327.21799	100.0
354.99976	0.8
369.15402	0.8
387.72125	0.8
397.13565	26.1
415.14667	22.0
436.61200	0.9
517.98090	1.0
529.01630	0.8
603.42627	3.8
691.35724	4.3
707.34875	8.5
725.36133	6.7
876.22766	0.8
1001.57300	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	998.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	4.9
69.07062	20.4
79.05468	20.9
81.03403	8.6
81.07037	29.2
83.04977	5.8
83.08618	5.5
84.74899	1.0
91.05470	36.9
93.07027	21.6
95.01332	5.4
95.04946	8.4
95.08577	18.5
97.02876	6.0
97.06511	18.2
97.10159	7.0
105.04514	1.4
105.07027	43.1
105.07730	1.4
107.04931	11.7
107.08586	16.0
109.06544	2.1
109.10159	8.5
109.37657	1.2
111.08044	1.3
112.18214	1.1
117.06987	12.1
119.08568	22.3
121.06492	6.1
121.10146	2.8
123.04402	1.6
123.08089	2.1
125.09629	4.7
129.06969	4.5
131.08549	11.1
133.06454	2.1
133.10127	17.3
135.08073	5.0
135.11682	5.4
137.09612	1.8
139.85045	1.1
143.08575	2.7
143.91306	1.1
145.06505	1.9
145.10109	8.7
147.08049	1.8
147.11662	7.8
149.09663	2.3
155.81700	1.1
157.10161	2.8
159.11670	6.2
161.09586	1.3
161.13319	2.2
163.11201	2.3
173.54626	1.2
174.21745	1.2
175.11073	1.8
179.14323	5.5
198.06094	1.1
203.79364	1.3
223.13319	9.5
227.12805	2.0
231.37146	1.4
239.17926	1.2
249.15028	2.4
253.14468	1.6
257.18884	1.5
273.18484	6.8
275.20026	27.1
291.19513	38.4
313.27228	1.5
330.49460	1.3
347.22067	1.8
349.23636	13.1
365.23187	26.5
369.58029	1.2
402.80829	1.1
541.35303	2.5
592.72845	1.4
639.42474	100.0
640.42596	2.0
657.44098	2.1
691.18079	1.5
981.38147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	3.4
69.06777	1.1
69.07063	18.4
71.04967	8.4
71.08614	29.9
73.02885	1.3
75.85468	1.3
76.63099	1.3
77.84937	1.3
79.05477	27.1
81.03399	9.4
81.07039	52.9
83.04961	9.1
83.08603	20.3
85.02887	9.0
85.10162	20.6
91.03938	2.9
91.05471	18.4
93.07018	29.1
95.04938	6.5
95.08586	40.2
97.02881	7.1
97.06499	13.2
97.10146	7.8
105.07000	15.4
107.04966	3.0
107.08583	19.5
109.06491	2.7
109.10152	21.0
111.08051	2.6
115.05473	1.7
117.07020	12.3
119.08549	12.2
121.06481	3.0
121.10149	10.0
123.11706	6.3
125.09659	1.7
127.03819	2.1
131.08582	12.0
133.06479	1.6
133.10106	12.3
135.07985	2.1
135.11681	8.1
137.13165	1.7
142.52480	1.5
143.08551	5.7
145.10103	10.0
147.11644	5.4
149.09599	7.3
149.13269	11.1
157.10129	1.9
159.08002	1.6
159.11671	9.0
161.13252	2.0
163.11140	5.3
173.13268	2.4
177.12712	3.2
187.11325	1.5
195.13710	1.8
229.14244	6.1
239.17911	1.6
239.23848	2.8
251.65784	1.4
257.18887	2.1
266.74524	1.5
269.17310	2.4
275.20044	13.1
313.27310	81.6
344.48636	1.4
349.23804	10.1
356.00302	1.2
413.21695	12.3
467.37164	6.6
503.78320	1.7
507.40414	100.0
547.43683	1.9
587.46552	42.7
605.47925	2.2
619.49292	19.5
651.44916	14.8
718.77362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.7
69.07058	23.3
71.04969	8.4
71.08618	34.4
73.02869	1.5
79.05468	25.9
79.27943	1.2
81.03400	6.5
81.07042	55.7
83.04962	3.1
83.08606	19.5
85.02899	11.2
85.06502	1.5
85.10171	17.9
89.06009	1.6
91.03918	2.4
91.05456	19.0
93.07034	31.4
95.04971	6.2
95.08582	43.1
97.02868	7.9
97.06511	8.8
97.10157	12.7
105.07026	17.9
107.04927	3.7
107.08583	21.2
109.06521	3.1
109.10139	36.4
111.08084	2.8
111.11691	2.1
117.06995	10.3
119.08567	8.0
121.06533	2.2
121.10124	7.3
123.11710	6.6
125.09596	1.8
127.03941	2.3
131.08591	13.3
133.10115	10.6
135.11673	6.9
137.13214	2.8
138.57462	1.5
141.06963	1.4
143.08589	2.5
145.06412	1.9
145.10106	7.3
147.11661	3.4
149.09633	8.9
149.13232	8.8
157.10168	3.0
159.11681	9.9
163.11250	1.9
172.68416	1.4
173.11786	5.6
173.13216	1.7
175.11113	1.7
195.13747	2.4
220.24870	1.5
229.14296	8.3
239.23737	1.7
257.18881	2.7
269.17374	6.2
275.20029	8.7
293.17444	2.0
313.27332	100.0
339.18182	1.6
349.23575	10.4
383.27808	1.7
413.21671	11.5
467.37183	22.2
483.37286	2.2
507.40335	97.7
508.40137	2.0
531.40289	2.5
547.43188	7.6
569.44257	1.7
587.46515	47.0
605.47882	2.2
612.29620	1.9
619.49109	10.7
633.43225	1.8
651.44464	18.1
669.45599	2.5
686.93256	1.8
781.54474	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	991.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	3.6
69.07059	1.1
70.58693	0.4
71.15864	0.5
73.02917	3.4
79.05499	2.6
81.03418	0.9
81.07043	4.1
83.57964	0.5
85.02891	4.8
91.03918	4.0
91.05481	2.2
92.63342	0.5
93.07050	2.2
95.08616	1.1
97.02876	3.8
101.02401	1.9
105.07034	1.2
105.18430	0.5
106.99358	0.4
107.08607	0.9
109.10200	0.6
115.05587	0.5
119.08564	0.6
119.75117	0.5
121.10166	0.7
127.03918	0.8
135.11687	0.7
224.94168	0.6
243.08411	1.2
258.89166	0.6
262.26901	0.5
333.20459	2.0
347.09766	2.9
365.10538	0.9
405.13416	5.3
413.69763	0.6
453.20944	1.2
468.60794	0.5
519.29517	4.5
551.28424	5.7
681.34235	5.8
713.33447	6.6
794.37415	0.7
829.51123	0.9
991.55872	100.0
992.56659	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	991.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.0
69.07057	1.3
69.56174	0.7
72.25893	0.7
73.02905	3.5
74.82077	0.7
79.05495	3.2
81.07050	3.6
85.02908	4.9
91.03939	1.9
91.05495	3.5
93.07038	3.1
95.04967	0.9
95.08605	1.1
97.02894	4.7
101.02383	1.0
103.03920	0.9
105.07052	1.4
121.10190	0.9
127.03900	1.6
135.11687	1.3
135.93394	0.9
243.08484	1.1
291.61115	0.7
333.20370	1.3
347.09680	3.0
365.10693	0.9
405.13696	7.6
483.32040	0.8
519.29236	7.8
551.28497	5.0
579.06415	1.0
681.33960	6.9
866.28833	0.9
971.36658	1.2
989.56158	0.9
991.55951	100.0
992.56372	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	991.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.1
73.02914	3.6
75.70592	0.7
79.05485	1.4
81.03408	1.5
81.07084	2.5
85.02905	4.3
86.72421	0.6
89.52649	0.5
91.03943	2.9
91.05466	1.0
92.08678	0.8
93.07045	2.8
95.08608	1.2
97.02882	5.4
101.02361	1.0
105.07059	0.7
107.08581	1.3
118.59641	0.6
119.08597	0.8
121.10165	0.7
128.06178	0.7
133.29408	0.6
185.04138	0.7
203.05222	0.6
243.08423	1.2
333.20493	1.1
347.09665	1.5
405.13712	6.4
519.29224	5.5
551.28290	4.5
681.34692	7.3
713.33197	1.5
991.55865	100.0
992.56006	3.7
996.03058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.9
69.07066	1.0
71.01329	0.2
73.02905	2.9
79.05475	3.2
81.03395	1.7
81.07044	2.5
83.04988	0.3
83.08616	0.3
85.02885	4.7
87.97994	0.2
91.03944	3.1
91.05464	3.0
92.09386	0.2
93.07024	3.7
95.04961	0.9
95.08591	2.2
97.02871	4.8
97.03403	0.2
97.06532	0.4
99.04441	0.5
101.02366	1.5
105.07008	3.1
105.07536	0.2
107.08574	1.9
109.02884	0.7
109.10162	0.3
115.03939	0.3
117.07034	0.5
119.08558	1.9
121.10180	1.1
127.03925	1.3
129.05424	0.3
129.06989	0.4
131.08598	1.0
133.10158	1.4
135.11726	1.0
140.35861	0.2
143.08539	0.4
145.10153	0.9
147.11719	0.8
149.57260	0.2
157.04811	0.3
159.11725	0.8
161.13245	0.4
171.11708	0.3
185.04262	1.4
199.14864	0.2
201.03749	1.2
203.05365	1.0
241.06914	0.2
243.08391	2.5
259.07901	0.3
259.20670	0.5
299.19760	0.2
301.08969	1.5
313.08914	0.4
315.10559	1.1
317.21057	0.4
319.09927	0.4
329.08450	0.3
335.09702	0.2
347.09402	4.6
347.13086	0.2
355.13693	0.3
363.08798	2.0
365.10608	1.7
373.23697	0.3
382.12961	0.2
397.18365	0.3
403.12650	0.3
405.13574	8.5
405.18484	0.4
411.10205	0.2
428.08154	0.3
463.14191	2.1
465.21033	1.3
475.14224	0.4
477.07364	0.2
477.15411	1.4
503.17380	0.4
517.19415	0.5
517.27704	0.3
525.23523	0.5
531.20795	0.5
535.16504	0.3
535.28680	9.2
547.23706	0.4
559.23669	1.3
599.26813	0.3
607.30798	0.4
627.26733	1.3
649.35577	0.3
657.27344	0.3
687.28857	1.1
697.33893	10.7
698.34100	0.4
699.30774	0.2
769.35577	1.7
797.39227	0.4
829.50519	1.2
853.46368	0.4
921.48486	0.3
991.55798	100.0
992.56128	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	991.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99765	2.8
91.05454	0.8
92.09361	0.6
92.64729	0.4
95.01300	0.5
95.04935	1.6
102.44682	0.4
103.05444	0.6
105.03381	1.8
105.06991	0.5
107.01313	0.4
107.04941	15.7
111.00782	0.7
111.04427	0.7
115.05421	0.5
117.06977	0.4
119.04912	2.2
121.02850	18.3
127.03859	0.9
128.06232	0.7
131.04892	2.3
133.06477	0.9
135.04343	1.5
137.02348	0.9
139.03873	4.7
141.06973	0.8
145.02806	0.5
145.06490	3.4
146.84572	0.4
147.04385	7.8
149.02325	9.0
149.05945	1.9
151.03891	24.5
153.01839	4.3
155.03366	0.9
155.04837	0.5
157.06487	2.6
159.04395	1.8
161.05939	2.0
163.03886	3.5
165.01842	0.5
167.03381	0.9
169.06462	1.9
171.04366	1.7
173.02319	2.8
173.05971	4.4
175.03889	4.1
177.01817	0.4
178.06581	0.5
179.03366	2.5
181.04964	0.7
181.06458	0.7
183.04367	0.8
185.05946	1.4
187.03862	4.9
187.07538	0.7
189.05431	2.3
191.03372	5.2
191.07027	0.7
193.04918	0.8
197.05945	3.6
199.03857	0.7
201.05516	3.5
203.03381	5.2
205.04877	0.8
209.05930	0.8
211.03853	0.5
211.07591	0.5
213.05403	2.8
215.03368	2.6
215.07024	11.2
217.04916	3.6
220.95929	0.4
221.06013	0.4
225.05420	2.6
227.03375	1.5
227.06992	0.7
229.04919	5.4
231.06458	4.3
233.04422	1.6
235.02289	2.1
235.05914	0.8
237.05446	1.6
239.06955	0.7
241.04927	5.0
242.05714	13.4
243.02802	0.8
243.06401	4.5
245.04460	2.6
247.05879	0.7
251.07054	0.7
253.04942	5.1
255.02995	0.5
255.06465	4.6
257.04401	15.7
258.05081	0.5
263.05411	2.0
265.04718	4.2
265.06778	0.9
266.05563	0.5
267.03745	0.4
267.06375	3.4
269.04358	3.5
270.05054	0.7
271.05957	100.0
272.06369	1.5
275.05264	3.0
277.05051	0.7
279.06555	1.8
281.04208	4.0
283.05966	5.1
285.03860	1.8
287.05438	4.1
291.06317	0.5
293.04288	1.9
293.08115	1.6
295.05966	3.3
297.03815	2.0
299.05466	2.4
301.03384	0.4
303.05154	0.7
305.04535	0.8
307.02432	0.8
307.05875	2.9
309.03851	0.9
311.05432	5.0
313.06985	0.5
317.06641	0.5
319.05905	0.9
321.03812	1.8
321.07516	2.2
323.05527	1.6
325.03207	1.9
325.06830	0.5
327.05081	0.7
331.05832	0.6
333.03943	0.6
333.07578	2.0
335.05246	0.9
337.06967	0.7
339.05035	0.9
341.06854	0.5
345.07352	1.7
349.06985	4.2
351.04984	0.8
353.06458	1.5
357.07443	0.8
359.08893	0.6
361.06937	1.5
363.04785	0.7
373.06998	3.9
375.08484	0.5
377.06448	1.6
379.08270	0.6
381.05740	0.5
387.08203	0.4
389.06509	0.6
391.08005	2.5
393.09970	3.8
395.07791	0.5
397.07861	0.4
399.07440	0.8
401.06369	1.6
403.08118	3.0
405.07797	0.6
407.07687	0.5
409.08798	0.7
413.08923	0.9
415.08206	0.6
417.08066	2.4
419.07535	12.8
423.07236	0.4
429.08423	2.1
431.07370	3.9
439.10052	0.6
441.08270	0.8
443.07318	0.5
447.09152	0.8
457.09122	0.7
459.09076	6.0
509.08865	2.3
527.09589	2.7
537.11755	2.3
545.10449	2.2
549.09741	2.9
551.11609	0.9
553.13538	4.7
555.12610	1.8
559.12311	0.5
561.10175	0.6
563.11218	1.9
567.11603	1.6
573.10260	0.8
577.13177	0.6
591.11224	9.8
663.15216	4.0
675.02539	0.6
675.13257	11.7
681.15948	6.6
699.13049	3.8
711.12817	3.5
717.14233	0.7
729.14557	7.9
741.13977	0.7
837.15649	0.9
847.18634	0.5
865.19556	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	989.544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.3
69.07063	0.9
71.01339	0.6
73.02905	3.0
79.05490	3.3
81.03410	2.5
81.07065	3.7
83.08579	0.6
85.02911	4.2
91.03938	1.2
91.05492	2.7
92.08675	1.4
93.07034	3.3
95.05013	0.7
95.08599	1.6
97.02881	4.3
99.04472	0.7
101.02387	1.1
103.15940	0.6
105.06985	0.7
107.08620	2.4
116.36511	0.6
119.08595	0.7
125.09612	0.9
147.11703	0.8
175.30072	0.7
185.04337	1.0
203.20824	0.6
243.08385	3.0
258.19717	0.7
291.19800	1.0
331.18848	1.0
363.09192	0.8
378.14246	0.7
403.12146	0.7
405.13412	5.8
413.23557	0.6
415.55545	0.7
441.37567	0.7
519.28967	5.9
549.26727	4.7
681.34778	3.8
711.32361	3.8
989.54315	100.0
990.54907	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	989.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.0
69.07066	0.8
71.34000	0.3
73.02911	2.3
75.73711	0.4
79.05471	3.5
81.03402	1.4
81.07058	2.6
85.02893	4.1
88.39236	0.3
91.03950	2.0
91.05448	3.1
93.07033	3.6
95.04967	1.5
95.08589	1.6
97.02886	4.1
99.04467	0.5
101.02388	0.6
105.07012	4.1
107.08561	0.8
109.13912	0.4
111.19296	0.4
117.07014	0.5
119.08605	1.5
121.10175	0.5
127.03983	0.7
131.08536	0.9
133.10138	1.7
144.65408	0.4
145.10226	0.5
161.13248	0.5
178.10085	0.4
201.03719	0.4
203.05223	0.5
243.08408	0.9
275.20111	0.6
301.08963	0.6
315.19254	3.5
347.09558	3.8
363.09125	1.5
365.10791	0.6
371.21960	0.6
405.13644	7.1
463.14151	0.7
465.20526	0.6
487.53973	0.4
533.27026	7.9
533.33527	0.4
535.28839	6.0
549.59802	0.4
613.22308	0.4
621.28662	0.5
695.32422	5.0
697.33948	4.7
827.49280	1.7
989.54260	100.0
990.55463	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	989.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.8
73.02909	2.5
79.05479	2.3
81.03428	1.1
81.07034	3.9
85.02888	4.8
91.03947	2.3
91.05482	1.0
93.07030	2.7
95.08617	1.3
97.02876	4.4
97.10101	0.6
101.02355	1.3
105.07020	1.0
105.20671	0.6
107.08604	1.2
109.02945	0.6
109.10167	1.0
110.56071	0.5
117.07068	0.6
121.10166	0.9
127.03960	0.9
135.11769	0.8
147.11757	0.5
162.09329	0.5
165.75536	0.5
169.95233	0.5
223.13524	0.6
243.08502	0.8
244.71344	0.5
300.53323	0.6
331.18930	1.1
335.25952	0.9
341.80331	0.6
347.09549	1.0
365.10922	0.8
405.13699	6.5
519.29297	5.8
549.26935	1.3
554.33630	0.6
681.34290	9.2
711.31982	1.9
827.49457	0.7
983.45459	0.6
989.54358	100.0
990.54840	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	987.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	3.3
69.07063	2.8
71.08633	1.1
73.02917	3.6
79.05489	4.4
81.03407	1.4
81.07044	7.8
85.02888	5.6
85.10194	1.1
91.03960	3.2
91.05479	2.7
93.07040	3.5
95.08627	1.6
97.02876	5.8
97.10110	0.8
101.02386	1.1
105.07047	2.9
107.08596	1.7
108.79028	0.8
109.06526	1.0
109.10176	1.5
119.08581	3.0
131.08582	1.0
133.10107	1.1
175.61931	0.7
231.90874	0.9
243.08472	0.7
248.01370	0.6
263.85315	0.9
275.20129	0.7
313.27496	1.1
331.36304	0.7
335.26007	1.5
347.09656	3.7
350.24442	0.7
351.21533	1.5
363.08936	0.7
365.10580	1.1
405.13525	5.4
497.30905	6.1
563.36945	0.8
569.29633	4.0
609.45093	2.7
610.45581	2.6
659.36005	11.7
731.34808	2.8
809.38843	0.9
825.54016	1.5
987.58398	100.0
988.58606	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40084	1.8
69.03419	7.5
69.07062	33.1
71.04971	2.8
73.02916	2.0
79.05478	68.8
81.03390	4.4
81.07040	100.0
82.07407	2.0
83.04998	3.0
83.08608	14.4
85.02899	12.6
85.06538	2.0
91.03931	3.2
91.05465	54.2
93.07026	78.7
95.04942	15.0
95.08592	55.3
97.02875	8.2
97.06510	9.0
97.10133	3.2
105.07021	44.4
106.07348	2.1
107.04941	8.7
107.08583	41.0
109.06506	16.7
109.10158	23.0
111.08035	2.7
117.06985	14.3
119.08569	26.8
121.06504	2.8
121.10130	30.3
123.08039	8.2
123.11672	4.2
127.03913	2.2
129.07022	2.9
131.08522	28.9
133.10109	21.2
135.08049	3.5
135.11699	18.1
142.86328	2.1
143.08571	3.0
145.10085	16.5
147.08009	1.9
147.11681	16.3
149.09567	4.3
149.13287	11.0
157.10052	3.1
159.11703	14.6
161.13280	7.5
163.11140	4.0
165.12758	2.1
173.13217	8.4
183.11711	2.6
187.14761	2.5
195.13995	2.5
214.61633	2.2
229.19199	2.0
235.16766	2.0
239.17749	2.2
261.22141	10.0
267.91818	2.0
269.17419	11.7
273.18307	2.9
275.19983	25.7
291.19513	2.7
293.21109	4.4
335.25742	98.1
336.26053	3.8
338.17172	2.5
349.20026	2.8
349.23688	22.9
365.23236	3.3
366.23868	2.0
367.24606	20.1
399.56857	1.8
515.37207	3.7
529.38800	29.3
571.43207	2.0
609.45178	68.7
625.44519	3.1
626.44727	9.8
626.59979	2.1
627.46063	66.3
985.56195	11.5
986.57190	29.7
1023.81659	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	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	7.0
69.07054	27.3
71.04964	5.1
73.02889	4.2
73.46937	0.9
76.65649	1.0
79.03630	1.0
79.05473	77.2
81.03395	8.0
81.07038	93.4
83.04964	9.7
83.08599	19.1
85.02883	15.2
85.06511	4.3
91.03929	5.8
91.05457	58.5
92.08688	1.5
93.07020	85.3
95.04946	34.3
95.08580	65.0
95.09197	2.3
97.02860	9.3
97.06503	9.8
97.10149	10.5
99.04417	2.6
99.08047	1.2
103.05428	1.5
104.87341	1.1
105.04525	1.5
105.07013	50.2
107.04939	8.8
107.08578	56.6
107.09297	2.3
109.06518	7.7
109.10136	26.6
109.15440	1.0
111.04436	4.1
111.08047	4.7
113.77759	1.1
117.06998	24.1
119.08549	33.3
121.06480	5.7
121.10122	33.1
123.08060	5.3
123.11688	6.2
125.09586	5.0
127.03871	1.9
129.05499	1.2
129.06976	7.7
131.08548	27.8
133.06494	1.4
133.10103	27.2
135.08046	5.7
135.11668	20.6
137.09628	1.8
139.11151	1.4
141.06960	1.9
143.08549	5.3
145.10091	25.0
147.11678	18.3
149.09593	13.9
149.13222	9.4
151.11156	1.6
153.12733	1.5
155.08485	4.3
157.10089	3.8
159.11652	15.7
161.09499	1.5
161.13240	6.9
163.11119	12.4
163.14760	2.5
165.12665	1.7
169.10194	1.4
171.11604	4.8
173.09857	1.2
173.11714	1.3
173.13217	6.0
174.56352	1.4
175.11153	2.5
177.12708	2.5
181.12155	2.1
183.11702	4.3
185.13275	2.1
187.11156	1.7
187.14853	4.4
189.11189	1.5
195.13899	1.5
197.13272	4.2
199.14810	1.6
201.12727	1.2
223.13261	7.7
229.19434	1.3
239.17914	2.0
255.15845	2.5
257.18851	6.0
259.20468	2.1
261.22055	11.3
267.15909	1.9
269.17523	10.8
275.20016	31.2
293.21060	9.2
331.22525	1.3
331.44250	1.2
335.25723	100.0
349.23721	19.6
367.24695	19.0
515.37152	12.6
529.38855	34.9
569.41656	5.9
609.35352	1.8
609.45068	54.9
627.46045	72.5
987.58606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	8.5
69.07053	28.7
71.04980	6.1
73.02896	3.1
79.05473	77.2
81.03398	12.6
81.07037	100.0
83.04972	10.4
83.08604	16.7
85.02892	15.9
85.06530	4.9
91.03946	4.6
91.05459	62.0
93.07021	83.8
95.04953	18.2
95.08584	64.6
97.02874	10.3
97.06517	10.8
97.10119	7.3
99.04430	1.2
99.08088	3.2
103.05437	1.7
105.04523	1.0
105.07014	45.5
107.04947	6.0
107.08578	50.1
109.02889	3.2
109.06490	6.5
109.10141	29.4
109.10855	1.3
111.08073	4.4
113.09589	1.0
115.05412	1.0
117.06991	21.9
119.08556	36.2
121.06482	4.7
121.10124	28.0
122.79208	0.8
123.08058	3.3
123.11669	7.9
125.09586	6.0
127.03900	4.6
128.06169	1.6
129.05493	1.1
129.06958	6.8
130.07765	1.2
131.08549	28.3
133.06490	1.1
133.10104	23.4
135.08046	4.4
135.11664	18.5
137.09598	1.2
137.13211	1.0
139.11128	1.0
141.06973	1.9
142.07790	1.1
143.08577	7.5
143.17075	0.8
144.09346	0.8
145.04999	1.0
145.10107	22.3
147.11670	15.5
149.09599	8.6
149.13219	10.8
151.11200	1.9
155.08572	4.0
156.09352	1.0
157.10143	3.9
159.08069	1.1
159.11681	14.8
161.09636	1.3
161.13181	7.2
163.11157	6.5
163.14771	1.6
165.12843	1.0
169.10106	3.4
171.11664	4.8
173.04375	1.5
173.11858	1.6
173.13231	8.1
173.70943	0.9
175.11079	1.0
175.14822	4.3
177.12691	3.4
183.11678	3.9
185.13228	2.0
187.14787	3.5
189.11197	1.7
193.12216	1.0
195.11772	0.9
195.13794	1.9
197.13232	1.9
201.16385	0.9
215.14427	0.8
216.76573	0.9
227.12822	5.0
229.14314	6.1
233.15233	0.9
239.17885	2.0
243.21152	3.5
247.20581	0.9
255.15889	1.6
257.18945	4.7
261.22046	9.2
269.17358	10.2
275.19980	16.3
277.68497	0.8
309.20636	1.8
317.24750	1.4
331.22488	1.4
335.25732	77.2
341.31741	0.8
349.23633	18.1
367.24756	3.8
413.21741	1.2
465.52747	1.0
489.35526	9.0
515.37341	14.2
529.38757	53.7
530.39038	1.2
535.41455	0.9
569.41870	14.8
591.44141	1.0
609.45020	39.5
627.45972	11.1
673.42413	3.1
695.44348	1.0
771.49774	1.8
844.77533	1.0
986.55817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41257	1.5
69.03420	4.1
69.07049	21.9
71.04968	4.2
73.02917	3.2
74.34141	1.6
79.05475	58.9
79.33245	1.4
81.07040	100.0
83.04958	3.6
83.08586	11.9
85.02884	10.8
85.06487	1.7
91.03933	3.4
91.05463	37.5
92.08703	4.8
93.07022	61.2
95.04955	14.8
95.08589	49.8
96.46727	1.7
97.02851	9.8
97.06492	8.2
97.10126	3.6
99.08023	2.7
105.07018	34.8
107.04946	7.8
107.08583	31.0
109.06500	22.7
109.10161	19.7
111.08070	2.3
117.06991	11.9
119.08581	29.7
121.06469	3.7
121.10110	26.4
123.08031	2.2
123.11674	7.7
127.03900	3.1
129.06970	2.6
131.08578	19.4
133.10097	21.3
135.11679	13.3
137.09599	2.1
143.08565	2.5
145.10089	11.3
147.11656	16.5
149.09592	6.8
149.13258	11.5
151.11156	1.7
157.10176	2.0
159.08017	1.7
159.11633	8.7
161.09526	2.0
161.13210	3.9
163.11198	2.6
163.14832	2.8
171.11656	2.2
172.68204	1.8
173.13202	3.7
183.11626	1.8
261.22141	4.0
269.17484	6.4
273.18365	2.8
275.20050	24.5
277.21503	2.2
291.19409	6.7
292.19843	2.7
293.21060	4.1
335.25729	86.6
336.26099	2.9
349.23776	17.3
367.24643	23.2
405.13693	3.1
448.81540	1.8
515.36993	3.1
529.38708	23.1
609.44946	56.5
622.65643	2.1
626.44080	7.9
627.46051	62.1
975.86383	2.4
985.57159	15.2
986.57019	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	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	8.1
69.06713	1.3
69.07054	27.0
71.01345	1.0
71.04971	5.8
71.08619	0.7
73.02886	3.1
79.05475	80.2
81.03400	11.3
81.07040	100.0
83.04965	11.1
83.08606	13.2
85.02882	12.7
85.06519	3.7
91.03937	5.1
91.05462	60.9
93.07023	81.7
95.04953	16.7
95.08585	65.4
97.02872	11.0
97.06495	12.6
97.10134	6.3
99.04459	2.7
99.08080	1.4
103.34661	0.7
105.04478	3.4
105.07012	47.4
107.04952	8.7
107.08577	51.6
109.02861	3.3
109.06486	5.1
109.10142	19.5
111.08062	5.5
111.71040	0.7
115.05451	1.3
117.07001	19.4
119.08569	31.6
121.06480	3.2
121.10126	28.7
123.08077	5.5
123.11674	7.5
125.09603	3.0
127.03877	1.8
128.06206	1.2
129.06987	7.5
131.08549	28.3
133.06485	1.8
133.10110	28.2
135.08044	4.7
135.11673	21.0
137.09613	3.6
137.13132	1.2
139.11079	1.0
141.06975	1.4
142.07716	1.3
143.08539	6.4
145.04932	1.8
145.10097	19.7
147.11679	13.4
149.09622	7.2
149.13222	14.2
151.11122	1.4
155.08539	3.2
157.10060	5.9
159.11687	13.8
161.09552	1.3
161.13231	5.2
163.11107	6.1
163.14815	1.8
169.10083	3.5
171.11661	5.5
173.13193	9.1
175.14804	3.2
177.12703	3.4
183.11688	3.9
185.13269	3.3
187.14876	3.1
191.14137	1.0
194.03793	0.9
195.13844	2.8
197.13213	1.5
199.14854	1.8
201.12589	0.9
203.19678	0.8
211.14767	0.8
217.15642	0.9
219.17403	1.1
227.12654	1.4
239.17903	1.1
243.21190	1.9
255.15895	6.7
257.18933	4.1
259.20416	1.3
261.22006	10.8
269.17380	23.2
275.19992	14.9
291.19440	1.9
293.20926	0.9
309.20630	1.0
313.84067	0.8
331.22681	1.7
333.24332	1.2
335.25732	74.4
349.23676	14.4
367.24591	3.8
397.30640	0.9
413.21454	1.3
431.31625	1.1
437.34061	1.6
489.35632	1.2
511.28598	1.1
511.37350	1.4
515.37250	20.9
529.38782	95.8
530.39325	3.2
547.39404	1.7
569.41925	11.0
609.45007	32.2
610.44849	1.2
627.46204	14.1
673.42767	3.6
715.12848	0.9
771.50043	1.4
986.55280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.4
69.07044	12.5
71.04985	2.1
79.05477	46.8
79.58784	1.7
81.03399	1.8
81.07046	48.8
83.04983	3.4
83.08595	8.9
85.02880	9.6
85.20576	1.7
89.06024	3.9
91.03934	4.2
91.05463	56.8
93.06490	2.9
93.07030	51.0
95.04937	8.1
95.08581	35.6
97.06486	2.7
97.10133	3.6
105.07014	42.1
107.08586	26.6
109.10131	15.0
111.04429	2.7
111.08082	2.6
115.05470	3.2
117.07001	19.6
119.08566	31.5
121.10185	15.8
121.10876	2.0
123.11686	3.5
129.06979	14.3
131.08536	27.3
131.88542	2.1
133.10112	33.2
135.11676	10.5
141.06958	3.6
143.08560	13.2
145.04984	2.0
145.10106	25.4
147.07980	4.3
147.11639	17.0
149.09610	4.7
149.13171	2.2
155.08615	16.6
157.10104	13.7
159.11670	21.6
161.09497	2.2
161.13275	2.4
167.08499	3.2
169.10114	12.9
170.10818	2.2
171.11671	14.5
172.46855	2.0
173.13232	9.0
173.63718	1.9
181.10031	2.7
183.11674	14.0
185.13293	9.3
187.14740	3.5
195.11633	4.2
197.13159	6.8
199.14903	2.0
207.11554	2.0
209.13269	4.0
211.14694	4.1
223.14772	4.0
239.17950	2.9
257.18967	2.6
259.20593	2.9
291.19492	3.5
333.24014	4.6
335.25674	8.9
373.11295	2.3
517.40289	7.7
535.41089	3.8
539.36737	2.8
580.61469	2.4
591.43805	10.3
609.35352	3.8
609.45105	100.0
625.44177	2.4
644.46063	3.1
771.50140	4.4
839.81549	2.3
865.83203	2.2
913.64050	2.4
918.79407	2.4
986.55298	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	4.0
69.07060	17.6
71.04981	1.9
73.34113	0.8
77.03859	1.0
79.05484	79.8
80.05824	1.1
81.03421	5.1
81.07049	68.4
83.04971	5.9
83.08611	20.6
85.02900	7.5
85.06543	4.4
91.03934	1.6
91.05466	44.6
91.23750	0.9
93.07032	61.4
94.07339	1.0
95.04950	16.3
95.08596	41.5
97.02882	4.8
97.06518	5.0
97.09522	1.6
97.10156	34.1
103.05441	1.1
105.04499	1.8
105.07019	49.6
107.04957	5.9
107.08594	68.5
109.06538	14.4
109.10147	20.7
111.04418	1.0
111.08077	2.4
113.06003	2.3
115.05458	1.7
117.07003	18.2
119.06056	1.4
119.08572	26.0
119.16817	1.0
121.06522	1.0
121.10140	18.8
123.08043	5.3
123.11698	5.2
125.09634	27.3
127.03918	2.5
128.06117	1.3
129.06972	5.4
131.08556	19.1
133.10133	24.1
135.08084	8.0
135.11697	13.0
143.08569	7.5
143.10591	1.2
145.10127	20.1
147.08092	1.1
147.11681	16.9
149.09619	6.6
149.13269	5.4
153.09050	1.3
155.08578	2.3
157.10118	5.5
159.11659	13.1
161.09590	1.6
161.13220	5.8
163.11212	1.5
163.14807	1.9
163.30402	1.2
169.10124	3.8
171.10187	1.5
171.11674	5.7
173.13252	5.9
177.12605	1.1
183.11700	2.3
185.13252	5.5
189.11205	15.4
195.11806	1.0
197.13257	1.9
203.14342	1.3
213.16553	1.5
227.12773	26.4
245.13637	1.2
257.18964	7.9
259.20535	2.0
261.22125	10.8
275.20001	24.5
291.19626	5.2
292.19855	2.4
331.22638	4.2
333.24081	1.4
335.25763	62.9
336.26041	1.5
349.23712	31.0
389.17722	1.5
505.35233	13.2
517.40454	1.4
535.41534	1.7
591.43707	1.2
609.45105	100.0
610.45746	2.1
625.44611	1.8
626.44995	10.3
627.45911	25.6
649.38837	4.6
987.57849	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	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.7
69.07053	29.3
71.04965	3.3
73.02887	8.0
79.05474	94.7
81.03413	5.0
81.07041	100.0
83.04964	9.6
83.08592	13.4
83.45429	1.9
84.68021	2.3
84.78117	2.2
85.02895	25.5
90.82868	2.5
91.03929	9.0
91.05464	70.6
93.07027	96.9
95.04948	23.9
95.08585	69.9
97.02872	12.6
97.06506	4.3
99.08109	3.0
101.02385	2.6
105.07018	75.4
107.04889	2.3
107.08588	49.4
109.02861	2.6
109.06503	3.6
109.10168	18.2
109.18204	2.3
111.08073	2.4
114.67502	2.1
115.01597	2.1
117.06998	28.3
119.08562	53.3
121.06519	2.4
121.10143	32.6
123.11674	3.0
125.09620	2.3
127.03907	4.7
128.06224	2.3
129.06990	13.7
131.08543	35.2
133.10103	38.0
135.11670	19.0
143.08508	4.2
145.04892	3.1
145.10106	21.7
147.11682	27.0
149.09592	3.0
149.13280	15.8
151.11211	2.5
157.10133	4.9
159.11662	20.0
161.13242	15.3
169.10083	3.3
171.11545	7.7
173.13220	11.0
175.14743	3.0
185.13243	4.9
199.14815	3.8
211.14711	2.2
235.62755	2.5
239.18033	3.3
241.19572	4.2
257.18973	3.8
259.20456	22.1
261.22159	8.9
269.17505	8.9
275.20041	4.9
333.24133	16.0
335.25754	63.9
349.23630	9.8
392.70566	2.3
529.38678	38.6
593.45343	3.4
609.44861	10.4
611.46375	39.8
865.62146	2.5
875.60815	2.4
968.61285	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	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	10.7
69.07053	29.3
71.04965	3.3
73.02887	8.0
79.05474	94.7
81.03413	5.0
81.07041	100.0
83.04964	9.6
83.08592	13.4
83.45429	1.9
84.68021	2.3
84.78117	2.2
85.02895	25.5
90.82868	2.5
91.03929	9.0
91.05464	70.6
93.07027	96.9
95.04948	23.9
95.08585	69.9
97.02872	12.6
97.06506	4.3
99.08109	3.0
101.02385	2.6
105.07018	75.4
107.04889	2.3
107.08588	49.4
109.02861	2.6
109.06503	3.6
109.10168	18.2
109.18204	2.3
111.08073	2.4
114.67502	2.1
115.01597	2.1
117.06998	28.3
119.08562	53.3
121.06519	2.4
121.10143	32.6
123.11674	3.0
125.09620	2.3
127.03907	4.7
128.06224	2.3
129.06990	13.7
131.08543	35.2
133.10103	38.0
135.11670	19.0
143.08508	4.2
145.04892	3.1
145.10106	21.7
147.11682	27.0
149.09592	3.0
149.13280	15.8
151.11211	2.5
157.10133	4.9
159.11662	20.0
161.13242	15.3
169.10083	3.3
171.11545	7.7
173.13220	11.0
175.14743	3.0
185.13243	4.9
199.14815	3.8
211.14711	2.2
235.62755	2.5
239.18033	3.3
241.19572	4.2
257.18973	3.8
259.20456	22.1
261.22159	8.9
269.17505	8.9
275.20041	4.9
333.24133	16.0
335.25754	63.9
349.23630	9.8
392.70566	2.3
529.38678	38.6
593.45343	3.4
609.44861	10.4
611.46375	39.8
865.62146	2.5
875.60815	2.4
968.61285	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	984.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	8.8
69.07056	26.3
71.04969	3.2
73.02888	1.5
79.05001	0.7
79.05476	43.2
81.03408	6.9
81.07043	43.8
83.04971	4.6
83.08607	11.2
85.02888	6.4
85.06517	0.6
87.04489	0.7
91.03929	4.0
91.05463	28.3
92.09386	1.2
93.07026	42.2
95.04945	12.8
95.08584	29.7
97.02866	11.1
97.06513	3.1
97.10149	13.7
105.04485	1.0
105.07016	20.4
107.04958	8.5
107.08586	22.2
109.06488	4.7
109.10145	15.6
111.08076	2.6
115.05449	1.4
116.06218	0.9
117.07016	10.3
119.04926	1.1
119.08566	17.4
121.06491	3.4
121.10115	13.8
123.08041	3.6
123.11687	2.8
125.09597	8.4
127.03808	0.9
129.06964	3.8
130.07684	1.0
131.07648	0.8
131.08560	15.1
133.06491	5.0
133.10124	9.7
135.08054	3.3
135.11700	6.4
137.09602	1.3
143.08548	4.4
145.06419	0.9
145.10094	8.0
147.08037	6.4
147.11650	4.7
149.09607	3.0
149.13246	3.9
151.11185	0.7
155.08656	0.7
157.10075	3.4
159.11699	5.4
161.09595	1.3
161.13231	3.2
161.72652	0.6
163.11147	2.4
163.14789	1.1
171.10239	0.7
171.11559	2.2
173.13213	1.5
175.11124	2.4
177.12833	0.9
185.13388	0.8
187.14783	0.8
189.11195	2.5
193.12267	1.0
195.13602	1.0
205.12230	1.5
211.13214	0.9
223.13254	24.0
223.15341	1.1
227.12793	3.5
245.18980	1.2
249.14861	2.7
261.22122	4.9
273.18430	11.7
291.19498	100.0
292.19699	0.8
317.24527	0.9
335.25757	50.5
347.22104	1.1
365.23172	45.6
527.37238	0.8
545.38263	4.8
607.43317	3.6
625.44550	79.6
626.44171	2.7
643.45477	1.1
984.54913	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	984.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	4.8
69.07037	21.8
71.04972	4.5
71.67590	2.3
79.05473	67.3
80.72598	3.1
81.03404	4.1
81.07034	73.2
83.04972	5.9
83.08595	5.7
85.02901	5.8
85.06542	4.1
85.97205	2.9
91.05461	67.2
92.09387	4.5
93.07017	58.3
95.04947	16.2
95.08582	38.3
97.02853	3.3
97.06487	3.6
99.08076	3.5
105.07011	60.1
107.08595	43.2
109.06487	11.8
109.10146	63.4
117.06997	13.5
119.08553	15.0
121.06490	4.7
121.10126	10.7
123.08068	3.4
123.11671	11.2
127.03868	3.4
131.08563	18.8
133.10104	60.9
134.56490	3.0
135.08029	5.8
135.11705	5.9
143.08569	3.9
145.10170	5.7
147.11617	3.3
149.09648	4.0
149.13231	4.2
151.11108	24.0
157.10037	3.2
161.09579	7.1
161.13185	3.8
164.51534	2.9
189.63882	3.5
222.15756	3.0
253.14265	60.8
261.22113	5.3
273.18384	22.6
291.19446	19.7
335.25766	37.1
347.22028	5.2
365.23096	25.3
376.44635	3.1
408.93951	3.5
513.35559	6.4
531.36688	15.9
557.38965	3.5
607.43451	6.6
625.44568	100.0
643.44543	3.5
719.14203	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	984.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	6.6
69.07053	20.7
71.04968	2.6
78.42491	0.4
79.05473	36.2
81.03394	6.3
81.07037	42.2
83.04972	3.3
83.08598	10.1
85.02868	4.8
85.06538	0.6
91.03957	1.9
91.05459	24.6
93.07021	33.6
95.04935	9.9
95.08582	28.9
95.09200	0.8
97.02869	11.5
97.06507	3.2
97.10148	10.9
105.04549	0.7
105.07013	18.3
107.04919	4.9
107.08573	19.1
109.06514	2.6
109.10144	15.3
111.04485	0.9
111.08074	0.8
115.05417	0.7
117.06986	9.7
119.08548	15.7
121.06470	2.2
121.10124	11.7
123.08069	4.1
123.11725	2.5
125.09601	8.2
127.03874	0.6
129.06982	3.9
130.07765	1.0
131.08546	11.7
133.06499	2.2
133.10085	8.4
135.08061	3.0
135.11639	6.2
137.09593	1.2
142.07776	0.8
143.08554	3.0
145.06534	0.8
145.10104	9.5
147.08023	5.0
147.11682	4.6
149.09650	0.8
149.13251	4.3
157.10112	2.0
159.08113	0.7
159.11671	3.7
161.09610	2.2
161.13260	2.2
162.19057	0.5
163.11160	2.6
163.14790	1.0
171.11594	1.0
173.13225	2.5
175.11229	0.9
187.14787	0.7
189.11156	1.1
205.12253	2.2
223.13254	19.7
223.15343	1.0
227.12819	2.3
243.20998	0.8
249.14862	2.1
261.22061	4.9
267.15784	0.8
270.75607	0.6
273.18399	9.4
285.30222	0.6
288.71240	0.7
291.19479	73.0
292.19781	0.6
309.20615	0.7
317.24756	1.0
335.25732	56.9
336.26160	0.6
347.22144	1.3
353.51816	0.6
365.18604	1.2
365.23145	35.7
527.37177	0.8
545.38635	4.6
545.45392	0.6
607.43384	4.0
625.44537	100.0
626.45178	4.5
626.54065	0.6
735.58698	0.8
781.10797	0.7
944.66229	0.6
984.54962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.9
69.07056	13.8
71.04975	2.8
77.76322	1.6
79.05006	1.9
79.05477	61.1
81.03389	4.0
81.07036	78.8
83.04967	15.3
83.08596	2.9
85.02888	7.3
85.06513	3.7
91.03952	1.8
91.05460	67.3
93.07023	63.6
95.04954	11.6
95.08582	39.1
97.02899	2.0
97.06496	2.9
105.07008	47.6
105.07668	2.8
107.04934	4.1
107.08574	44.1
109.06516	4.2
109.10146	51.7
114.97230	2.1
117.07000	9.9
119.08569	20.6
121.06462	7.1
121.10110	19.4
123.08044	3.5
123.11679	12.6
128.06247	2.2
129.06955	2.8
131.08574	17.6
133.10120	53.9
133.34409	1.8
135.08041	2.7
135.11690	10.8
143.08548	3.5
143.16406	2.0
145.10115	11.6
147.08087	3.1
147.11690	7.4
149.09613	7.8
149.13263	4.2
151.11176	22.7
159.11723	4.4
161.09610	7.5
171.11621	3.0
173.13271	3.1
185.13309	2.3
245.19073	2.5
253.14296	43.6
261.22079	8.6
273.18433	12.0
280.01636	1.8
291.19574	14.0
335.25726	56.9
347.22125	2.9
365.23187	26.3
373.79102	2.0
513.35712	3.2
531.36774	25.7
607.42792	3.7
625.44531	100.0
643.45282	3.6
829.02057	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	982.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	22.7
71.04967	1.3
73.02891	1.7
80.38341	0.9
81.03400	19.5
83.04967	100.0
85.02887	8.9
85.06528	1.3
92.08707	1.9
95.04952	1.4
97.02889	7.1
99.04430	6.3
101.05999	1.2
107.01310	1.9
107.05093	1.0
109.02873	10.6
111.04410	1.5
113.05972	1.2
115.07560	13.9
123.04390	7.6
127.03910	9.7
135.04385	2.0
137.02338	35.1
137.03391	3.6
139.03896	1.2
149.02336	1.8
153.01945	1.1
163.03886	10.3
164.04192	1.5
167.03415	1.6
177.01947	1.1
181.06535	1.2
187.03841	2.0
197.05981	5.1
201.05379	1.1
205.01366	1.4
209.06073	1.5
209.08093	2.4
215.07022	4.8
221.05937	8.5
223.07591	1.9
225.05472	7.6
227.09143	1.0
233.05971	1.5
236.04755	1.2
237.05449	1.7
243.06538	2.2
249.05449	10.4
250.06128	1.3
251.06912	1.8
253.04886	13.3
255.06247	1.2
263.03482	2.0
265.04938	10.4
267.06461	4.9
269.04343	1.2
271.06061	6.0
277.05014	5.6
279.02646	1.2
281.04315	21.9
282.05231	5.2
283.07751	1.5
288.90900	1.2
291.02930	9.5
293.04388	9.2
294.05038	1.4
295.05972	25.3
297.03775	1.3
299.07022	7.2
307.02228	2.0
309.03839	7.9
311.06805	4.9
317.08063	5.1
319.02448	10.4
320.03128	2.5
321.03873	10.8
323.05634	1.6
327.06540	14.0
329.08032	4.6
335.01782	12.9
337.03632	6.7
339.06320	7.5
340.07516	1.4
345.07483	14.9
346.66528	1.3
347.01807	2.3
355.05902	25.0
357.07507	5.5
365.03442	5.3
367.05838	7.0
373.07053	18.5
375.09009	1.3
383.05362	19.4
385.07025	6.9
387.08994	1.2
395.05463	13.8
401.06488	46.5
403.07980	4.7
405.05908	1.9
411.04898	18.5
413.06412	8.7
423.05460	1.2
429.05978	74.2
430.06146	1.7
431.07532	4.9
439.04477	5.4
447.07126	9.9
457.05499	62.0
473.04419	1.3
475.06567	17.5
491.07166	1.1
497.06528	1.4
509.07571	3.7
527.08258	2.0
573.10352	1.7
591.10956	5.8
601.09985	7.0
609.11755	2.0
619.10718	30.4
635.10724	2.4
637.11346	6.6
653.11188	2.5
671.11725	5.8
745.13318	1.9
763.14832	6.6
781.15802	10.6
799.16217	1.7
879.19843	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	982.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.8
69.07053	14.6
71.04982	0.8
79.05476	16.8
81.03403	4.4
81.07040	24.2
83.04965	2.8
83.08607	3.8
91.05468	26.8
91.37009	0.6
91.52927	0.6
93.07023	16.0
95.01311	4.8
95.04948	6.3
95.08587	14.2
96.25732	0.7
97.06509	29.1
97.10159	0.9
99.08082	0.9
105.07017	37.4
107.04940	11.4
107.08578	9.2
108.05074	0.6
109.06493	2.7
109.10158	3.8
111.08070	1.1
117.06996	7.0
119.08560	19.0
121.06498	1.4
121.10128	3.5
123.08049	1.2
128.06160	0.8
129.07118	0.7
131.08557	11.7
133.06497	0.9
133.10117	20.7
135.08078	1.6
135.11668	4.3
141.07042	1.3
143.08601	1.6
145.06511	1.0
145.10080	9.3
147.11671	9.2
149.09634	4.5
149.13225	0.9
155.08606	1.0
157.10211	0.9
159.11678	6.0
161.13264	2.9
162.90154	0.7
163.11171	4.7
165.09050	0.9
167.29750	0.7
169.10039	1.6
171.11647	0.9
173.13177	1.1
174.77930	0.8
177.12727	1.3
179.14262	8.1
183.11615	0.8
187.11217	1.2
245.63208	0.7
247.20554	2.5
257.18979	1.6
275.20023	29.4
293.20926	0.7
313.27136	0.9
325.14362	0.8
349.23657	22.2
623.42981	100.0
624.43170	1.4
641.44623	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	982.631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	1.8
69.07060	14.8
71.04973	2.2
71.08623	25.0
73.02904	0.8
79.05482	18.2
80.36989	0.3
81.03426	2.8
81.07045	41.4
83.04971	2.7
83.08607	17.9
85.02911	5.1
85.06536	2.7
85.10170	16.0
89.06005	0.8
91.03963	3.3
91.05465	15.1
93.07031	19.8
95.04936	3.7
95.08592	33.9
97.02879	3.4
97.06525	4.3
97.10158	10.9
99.08076	0.9
99.11731	0.9
103.07520	0.8
105.07018	12.2
107.04965	3.1
107.08587	16.8
109.06522	3.4
109.10150	36.7
111.08083	3.2
111.11684	0.5
115.05415	0.5
117.07009	6.4
119.08571	10.5
121.06494	0.6
121.10127	8.0
123.08044	1.6
123.11691	6.7
123.71892	0.3
125.09617	4.7
127.03930	0.7
129.07007	1.4
131.08548	7.0
133.06511	0.6
133.10126	8.7
135.08035	2.3
135.11694	3.2
137.09595	2.3
137.13235	0.5
139.11168	0.7
143.08563	2.1
145.04967	0.5
145.06537	0.7
145.10127	8.0
147.08049	0.5
147.11670	6.3
149.09641	4.7
149.13258	5.5
151.11183	0.9
151.14868	0.8
155.08641	1.3
155.10611	0.9
157.10106	1.7
159.08070	0.5
159.11679	5.7
161.09473	0.5
161.13246	0.9
163.05997	0.9
163.11188	2.3
167.14294	0.7
171.11656	0.8
173.09531	0.5
173.11758	7.2
173.13217	1.4
174.70728	0.4
175.14883	0.5
177.12689	1.6
183.11707	0.5
187.11197	0.5
187.14748	0.4
189.11214	2.4
191.14270	0.5
195.13786	1.8
197.13173	0.5
227.12794	4.5
229.14320	18.9
236.72681	0.4
239.17953	1.6
239.23740	3.5
257.18988	2.9
257.24683	3.9
269.17441	10.1
271.17059	0.4
275.20004	12.6
284.28958	0.4
291.19635	0.4
293.21115	1.6
313.27344	100.0
314.27539	0.7
331.22678	1.7
335.25812	0.4
349.23715	12.8
367.24747	7.0
372.28113	0.5
420.36734	0.4
467.37280	32.4
483.36853	2.1
487.41476	0.4
507.40390	53.3
508.40823	0.6
547.43457	0.6
569.45947	0.7
587.46661	43.0
588.46783	0.7
605.47742	24.0
611.40948	1.5
623.42798	1.3
651.44324	1.6
749.50775	0.7
807.58148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.4
69.03408	1.7
69.07056	21.3
71.04961	1.7
73.84465	0.4
77.03901	0.8
79.05475	41.2
81.03397	5.9
81.07041	48.2
83.04974	4.9
83.08607	6.4
85.02889	1.5
85.06050	0.4
85.06520	2.3
91.05460	64.6
93.07024	40.7
95.01305	8.0
95.04952	10.6
95.08585	29.8
95.09201	1.0
97.06512	13.6
97.10143	2.2
99.08057	0.7
103.05457	2.2
105.04493	2.2
105.07015	85.3
107.04938	13.8
107.08577	21.8
108.08869	0.6
109.06537	3.3
109.10152	9.0
111.04508	0.5
111.08069	2.2
113.09647	0.8
115.05427	1.9
116.06213	0.5
117.07005	16.8
119.08563	47.5
120.08862	0.5
121.06485	3.6
121.10125	11.0
123.04400	0.7
123.08050	4.0
123.11687	1.8
125.09636	1.7
128.06195	0.9
128.37993	0.4
129.05486	0.5
129.06964	6.6
130.07762	0.7
131.08548	25.3
132.09261	0.4
133.06477	0.6
133.10107	43.7
135.08058	4.0
135.10669	0.6
135.11667	10.6
137.09650	2.0
139.07532	0.5
141.06966	2.6
142.07744	0.7
143.08560	7.0
144.09320	0.4
145.06453	1.8
145.10114	19.1
147.07988	0.8
147.11670	22.7
149.09576	5.6
149.13243	5.0
151.11206	1.0
152.38985	0.4
155.08539	2.5
155.64058	0.5
156.09334	0.4
157.10103	7.0
159.08076	0.4
159.11679	14.5
161.09608	0.7
161.13229	11.4
163.11137	4.0
163.14876	0.4
165.09082	0.6
169.10112	2.7
171.10229	0.8
171.11615	7.0
173.13217	5.1
175.14783	5.1
177.12791	2.9
179.14252	8.8
183.11685	2.8
185.13152	4.2
187.11201	2.4
187.14827	1.6
189.12749	0.7
189.16408	0.5
197.13283	2.5
199.14793	3.0
201.12735	0.7
203.14304	0.6
205.12169	0.5
213.16393	0.8
215.17880	0.9
217.19533	0.5
219.17476	0.5
223.48000	0.4
229.19547	0.8
231.21085	1.8
239.17896	1.8
241.14171	0.5
241.19482	8.8
247.20514	1.6
257.18976	4.6
259.20520	15.8
275.20020	36.1
277.21552	0.7
279.15726	0.5
293.21198	2.8
297.22083	0.5
313.21646	0.6
315.23041	5.6
331.22797	0.5
333.24185	27.9
334.24445	0.5
349.23682	38.9
409.30881	0.6
437.34360	0.8
511.37756	0.6
513.35852	1.7
515.38678	0.8
527.37177	0.7
533.39746	0.8
551.40631	0.7
555.37177	0.5
573.97510	0.5
607.43494	100.0
608.43750	3.4
625.44580	18.0
715.43945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86981	5.4
69.03416	8.9
69.07072	46.9
71.08614	32.7
79.05476	37.4
81.03428	6.4
81.07047	79.5
83.04973	6.2
83.08620	12.4
85.02905	26.1
85.10169	23.8
91.03960	5.9
91.05458	51.2
93.07009	42.2
94.66886	4.8
95.04961	10.9
95.08601	53.2
97.02865	12.9
97.06502	9.4
97.10117	6.8
105.07006	41.2
107.08595	13.8
109.10133	35.3
111.07957	5.1
117.07005	6.9
119.08567	31.2
121.10118	6.4
131.08597	12.4
133.10091	25.5
140.35426	7.3
140.98030	6.1
145.10146	10.8
147.11717	23.1
163.11163	6.3
167.73009	6.4
177.12679	6.5
183.89119	5.9
275.20071	13.3
313.27344	100.0
349.23621	13.0
396.32727	7.1
409.33328	6.3
467.37286	52.0
587.46796	84.2
605.47485	10.3
772.10950	8.8
1008.28027	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	980.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	9.5
69.07056	26.1
71.04973	4.7
71.08615	31.5
72.82404	2.3
79.05482	52.0
81.03399	15.2
81.07041	82.9
83.04964	15.2
83.08607	34.9
85.02894	15.9
85.10171	13.0
91.03942	2.3
91.05465	35.1
93.07026	37.3
95.04942	19.6
95.08588	42.3
95.60445	2.1
97.02849	4.7
97.06504	10.6
97.10153	38.0
105.07011	25.8
107.04929	12.7
107.08574	24.8
109.06523	11.8
109.10163	26.1
110.48864	2.5
111.04425	18.3
111.08080	10.7
117.06998	16.6
119.08578	33.5
121.06490	10.8
121.10136	19.8
123.08052	28.3
123.11675	3.7
125.09624	30.2
129.06976	4.4
131.08556	20.7
133.06499	3.6
133.10089	12.4
135.08044	11.2
135.11655	11.7
137.00850	2.4
137.09583	5.2
143.08528	5.6
145.10114	19.8
147.08043	14.1
147.11691	4.6
149.09615	10.8
153.09091	3.4
153.12706	4.2
157.10127	13.1
161.09622	4.9
163.11162	24.3
165.09145	4.0
171.11662	3.8
173.09659	5.2
175.11108	4.4
179.56813	2.3
181.12201	5.1
185.13266	2.5
189.11169	10.7
189.12708	3.1
191.10641	5.0
193.12212	8.3
223.13286	4.5
227.12752	14.8
245.18906	4.7
273.18515	31.1
283.15393	3.1
291.19498	77.4
309.20490	12.2
313.27344	95.4
347.21979	9.8
365.23160	50.3
383.24088	31.8
585.44751	11.9
603.46179	100.0
604.46161	3.1
621.47272	97.0
637.58899	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	980.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	3.8
69.07058	16.5
71.04971	1.4
71.08253	1.0
71.08620	22.3
73.02892	2.3
77.03925	0.7
79.05478	29.1
81.03407	7.6
81.07043	55.6
83.04966	10.2
83.08610	17.1
85.02905	8.5
85.06525	1.4
85.10166	13.2
89.05999	3.8
91.03967	1.9
91.05466	17.1
92.09344	2.1
93.07030	23.5
95.04948	13.1
95.08590	30.3
97.02864	2.1
97.06507	4.7
97.10141	23.4
99.11762	1.1
103.07529	1.2
105.07027	16.2
107.04939	10.3
107.08566	15.7
109.06480	5.1
109.10136	14.8
111.04443	8.1
111.08073	4.4
117.06960	9.7
119.08561	19.8
121.06516	7.6
121.10108	9.2
123.08049	16.6
123.11672	4.0
125.05940	0.9
125.09611	18.6
129.06969	5.8
131.08563	11.8
133.06491	1.6
133.10103	8.4
135.08055	6.8
135.11679	6.0
137.09579	2.2
143.08534	4.3
145.06494	1.4
145.10114	13.6
147.08009	9.0
147.11610	3.2
149.09618	6.3
153.09071	1.7
153.12715	5.5
155.08545	1.4
157.10103	6.2
159.08047	1.5
159.11681	3.8
161.09557	6.6
161.13223	1.2
163.11134	13.3
165.09016	1.8
171.11707	1.9
173.09492	1.7
175.11169	3.9
181.12204	5.3
185.13129	1.1
189.11159	8.1
189.12701	1.8
191.10617	4.0
193.12155	1.8
200.40819	1.0
223.13263	1.1
227.12810	9.4
233.38492	0.9
237.16432	1.0
239.23552	1.3
245.19006	4.2
255.17528	1.7
257.24744	4.1
263.19827	1.0
273.18390	22.9
283.15454	1.9
291.19489	40.4
309.20526	2.2
313.27332	100.0
347.22046	4.7
365.23166	28.4
383.24222	15.6
389.35324	0.9
402.48773	1.1
483.36520	1.9
539.39313	1.2
585.44952	4.7
603.46149	84.4
604.46051	2.2
621.47174	73.4
622.47382	1.6
829.84204	1.2
874.33154	1.0
894.11053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07049	10.1
79.05468	58.1
81.07040	58.8
83.08635	8.7
85.02888	15.1
91.03932	10.8
91.05470	63.5
92.64020	7.4
93.07015	50.6
95.08589	54.9
105.07021	44.8
107.08569	32.0
109.10172	13.5
110.81381	7.8
116.99841	7.7
117.07004	17.4
119.08556	31.2
121.10109	8.6
129.06964	13.8
131.08562	39.1
133.10025	14.5
135.11661	9.2
145.10126	33.5
157.10182	10.0
159.11682	28.9
173.13251	10.3
185.13278	12.9
201.16429	11.5
233.32869	8.5
244.42857	8.6
267.21121	13.7
269.42545	6.8
285.22052	11.1
335.25833	100.0
359.25812	9.4
610.47809	7.3
678.95972	9.1
965.07306	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	978.599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.4
69.07057	16.4
71.04974	1.5
71.08620	17.7
73.02898	2.3
79.05479	17.6
81.03415	5.8
81.07047	29.5
83.04971	2.6
83.08614	11.6
85.02905	7.9
85.06571	1.5
85.10182	12.1
91.03922	2.3
91.05473	13.5
93.07027	13.4
95.04942	5.5
95.08591	21.2
97.02884	6.8
97.06509	2.8
97.10139	9.3
99.00847	1.5
101.57768	1.5
105.07024	10.7
107.04971	6.5
107.08557	10.6
109.02883	4.6
109.06541	3.0
109.10139	11.3
111.04430	1.6
117.07021	6.9
118.29340	1.1
119.04954	1.1
119.08553	9.4
121.02818	2.2
121.06497	2.9
121.10143	2.8
123.04353	1.3
123.07994	1.5
123.11679	1.8
125.09628	4.7
131.08580	2.1
133.10155	10.4
135.08046	7.4
135.11714	2.6
142.55574	1.1
143.08572	2.0
145.06505	1.7
145.10141	4.8
149.09592	1.6
151.11208	1.6
153.09093	2.0
159.08112	2.5
159.11592	1.5
161.09598	5.0
163.07552	4.9
163.11116	2.7
174.62042	1.2
177.09059	1.3
191.10634	1.4
193.12175	10.5
227.12706	1.9
257.24619	1.7
271.17035	1.7
289.17877	11.8
307.19016	1.9
313.27313	72.3
363.21585	8.3
381.22629	40.5
595.71881	1.3
601.44519	14.5
619.45612	100.0
1011.51855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	3.0
69.07066	0.7
73.02913	4.4
79.05482	1.3
81.03418	1.2
81.07062	3.0
85.02889	4.7
91.03966	3.2
91.05466	1.4
93.07043	2.9
95.08643	1.4
97.02874	4.3
101.02422	0.9
104.31784	0.6
105.07047	1.2
107.34906	0.6
112.65024	0.6
121.06650	0.6
121.10155	0.8
127.03865	1.2
135.11662	0.6
139.93924	0.7
143.08467	0.7
161.71617	0.7
168.34099	0.6
185.04288	0.8
243.08452	1.5
258.83023	0.7
279.07980	0.6
347.09485	4.6
363.09448	0.9
383.09763	0.8
405.13565	7.5
465.21048	1.1
477.15549	1.0
519.29175	6.0
535.29065	5.1
555.74908	0.6
681.34747	4.9
697.33777	4.8
759.27386	0.7
975.56311	100.0
976.56812	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	975.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
71.05003	0.7
73.02913	2.5
79.05499	3.0
81.07066	3.1
83.08602	0.6
85.02905	4.8
85.48100	0.6
88.11140	0.7
91.03967	2.6
91.05473	1.3
93.07066	3.5
94.95668	0.6
95.08640	1.6
97.02881	4.6
101.02352	1.0
103.48908	0.6
105.07015	1.2
107.08607	1.2
122.54861	0.6
127.03889	0.8
155.12718	0.6
163.34731	0.7
243.08432	1.0
347.09650	3.6
363.09021	0.9
365.10715	0.9
405.13583	6.8
463.14465	0.8
519.29364	5.4
523.10016	0.9
535.29089	2.7
627.78766	0.7
674.42438	0.7
681.34619	8.0
697.34332	1.4
813.50256	1.1
975.56378	100.0
976.57031	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	973.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54570	0.9
69.03416	1.8
69.07053	1.4
73.02905	2.3
79.05482	1.3
81.03395	1.0
81.07037	4.7
84.41635	0.9
85.02909	4.0
91.03940	1.0
91.05474	2.0
93.07033	2.4
95.05002	1.3
95.08580	1.3
97.02906	2.3
105.07030	2.3
108.36820	1.0
109.10211	1.0
113.69777	1.1
117.06963	1.3
119.08568	1.8
120.27857	0.9
121.10153	1.4
127.03975	1.4
191.73412	1.1
201.03674	1.0
238.08005	1.1
243.08597	1.8
315.19467	4.7
347.09497	2.4
371.22018	1.3
405.13629	7.8
519.29578	4.7
533.27325	9.4
533.35083	0.9
681.34430	3.9
695.32068	8.9
973.54730	100.0
974.55511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.7
73.02914	3.2
79.05525	2.0
81.07058	2.3
85.02921	2.8
91.03934	1.7
92.08586	2.3
93.07003	2.2
95.08586	2.6
95.86676	1.4
97.02899	3.1
105.07046	1.4
108.77953	1.5
125.42203	1.3
127.03880	1.5
138.77295	1.2
144.75900	1.7
151.22754	1.3
203.51422	1.4
235.33943	1.3
243.08522	1.5
278.36194	1.4
333.20370	1.9
347.09637	2.6
405.13806	7.0
497.31009	7.8
551.28571	2.0
589.39667	1.4
610.45398	1.9
659.36194	9.9
704.40332	1.6
713.33002	1.8
873.13452	1.5
930.30920	1.4
969.57343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	4.6
69.07056	27.6
71.04972	4.4
73.02889	5.5
77.03894	1.3
79.05473	96.3
81.03384	4.5
81.07038	91.5
83.04971	4.8
83.08591	11.4
85.02888	23.7
85.06519	2.4
89.23245	1.0
91.03943	15.2
91.05459	98.4
92.08722	3.7
93.07023	100.0
95.04941	16.1
95.08586	72.7
95.09201	2.3
96.01202	1.1
97.02870	10.5
97.06506	6.0
97.10140	4.8
103.05466	1.9
105.04520	2.0
105.07012	92.5
107.08580	51.6
109.06497	6.2
109.10139	27.3
111.08028	2.4
111.38408	1.3
115.05409	1.9
117.06996	34.2
117.07762	2.3
119.08562	72.5
121.06490	1.5
121.10130	36.9
123.08041	2.6
123.11682	6.0
124.56384	1.3
127.03896	2.6
128.06160	4.9
129.06981	15.7
130.07753	1.3
131.08542	40.8
133.06448	1.4
133.10109	60.4
135.08008	2.1
135.11670	25.7
137.13135	1.3
141.06964	2.5
142.07782	1.8
143.08536	16.6
145.04951	6.1
145.10104	33.7
147.08046	1.2
147.11670	44.9
149.09596	2.6
149.13266	17.0
155.08537	4.5
156.09264	1.8
157.10123	15.6
159.11678	26.6
161.13208	27.0
163.05995	2.8
163.11159	2.1
163.14801	2.6
167.08510	1.3
169.10097	6.5
171.11673	17.8
173.13205	16.6
175.14755	10.5
177.12648	1.5
183.11725	5.1
185.13219	15.0
187.14767	7.7
189.12796	1.3
197.13228	1.7
199.14783	7.7
201.16373	1.6
211.14836	1.7
213.16379	2.7
215.17953	1.9
217.15982	1.4
231.21100	2.7
241.19485	17.9
242.45380	1.3
243.21184	1.5
257.18896	7.4
259.20517	52.4
259.23355	1.9
261.22067	8.2
271.20868	1.3
274.31790	1.1
315.23050	4.3
331.22540	1.4
333.24203	33.5
335.25778	53.6
335.29764	1.9
337.27255	2.1
367.22403	1.7
385.23871	1.9
489.36050	1.5
516.63953	1.3
519.41730	2.5
531.73322	1.5
537.42462	1.7
593.45819	14.7
611.46570	87.2
623.46509	1.9
701.46582	2.0
719.47882	1.7
737.49451	2.1
755.50104	5.1
759.59845	1.5
918.67389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	18.6
69.00507	1.2
69.03429	3.3
69.07053	3.4
71.08634	2.8
73.02925	2.1
79.05482	19.3
80.69495	1.3
81.07040	18.6
83.04992	3.1
83.08630	1.5
85.02895	5.4
88.75214	1.2
91.03945	2.5
91.05489	9.3
92.09334	2.7
93.07024	12.5
94.07366	1.8
95.04967	1.7
95.08568	10.9
97.02897	6.3
97.10151	2.0
100.50997	1.4
102.74036	1.3
105.07010	11.3
107.04935	3.3
107.08617	12.2
108.08997	1.5
109.10160	3.2
117.07022	2.5
119.08593	7.3
121.10163	2.8
125.09637	2.3
127.03918	1.5
131.08595	5.6
133.10091	3.8
145.10208	3.3
147.11760	2.3
149.09686	8.2
159.11670	1.4
161.13248	1.7
275.20175	2.2
333.20816	1.5
335.25735	14.2
336.26178	5.0
349.23773	5.5
365.01349	1.5
365.10623	1.8
405.13626	8.8
497.30945	8.8
551.28650	2.7
597.23608	1.5
609.45056	29.3
610.45520	29.4
659.36499	8.6
969.57422	100.0
970.57715	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	969.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.5
69.03419	3.6
69.07054	0.8
70.42617	0.5
71.01335	0.7
71.08642	1.8
72.64453	0.4
73.02909	3.5
74.13199	0.4
74.88102	0.4
79.05502	0.6
81.03417	1.8
81.07056	2.1
83.05006	0.5
85.02895	5.6
85.10158	0.9
85.16554	0.5
91.03955	3.3
91.05494	0.8
93.07054	0.7
95.08603	2.1
97.02882	5.1
101.02368	2.4
104.05847	0.5
107.04958	0.6
109.02898	0.5
109.10132	0.5
110.48373	0.5
114.37206	0.4
115.03925	0.5
119.08514	0.5
127.03922	2.4
145.10139	0.5
185.04305	0.7
203.05296	0.7
243.08499	2.2
313.27591	0.8
333.20560	1.1
347.09286	3.3
363.08716	0.6
365.10315	0.9
405.13675	7.3
453.21191	0.8
497.30872	7.3
551.28381	3.2
659.36145	11.6
713.33966	3.0
807.52136	2.0
892.30835	0.6
969.57416	100.0
970.57068	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	967.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	51.8
69.07050	12.0
79.05473	54.1
81.03387	3.3
81.07042	86.5
82.77827	1.9
83.04958	3.6
83.08575	3.8
83.43987	1.6
85.02895	2.0
85.06534	7.6
87.87471	1.6
91.05465	25.6
93.07021	40.3
95.04939	40.2
95.08581	26.7
97.06496	3.0
105.07017	29.1
107.04939	11.2
107.08586	21.2
109.06506	52.1
109.10134	11.7
111.04424	8.4
111.08064	2.3
113.05978	12.2
117.06996	13.7
119.08585	22.0
121.06491	7.3
121.10121	12.7
123.08028	3.2
123.11673	2.0
125.09539	2.0
129.06975	9.6
131.08554	14.1
133.10147	9.3
135.08014	23.2
135.11664	8.1
143.08543	2.9
145.10114	12.8
147.08069	11.0
147.11621	2.6
149.09593	3.5
159.11703	9.3
161.09633	7.7
163.11122	2.8
171.11664	8.0
173.13219	2.9
187.14758	2.2
217.15897	3.9
244.69727	2.3
273.18457	19.8
291.19485	53.1
335.25729	52.9
347.21817	2.8
354.31403	1.9
365.22897	14.4
449.26678	2.2
514.47565	2.3
567.39044	2.8
607.43713	20.7
625.44531	100.0
786.19879	2.3
909.54218	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	968.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	92.0
69.03413	8.8
69.07049	28.9
71.04966	8.7
75.65472	4.9
79.05489	85.7
81.03406	52.5
81.07037	100.0
83.04965	26.4
83.08605	37.7
85.02881	29.6
85.06548	6.3
89.00060	6.1
91.05466	77.5
93.07034	51.6
95.04945	49.6
95.08576	20.9
97.02850	9.3
97.06505	31.5
97.10165	11.2
105.04501	5.7
105.07037	49.1
107.04959	29.6
107.08595	41.3
109.06528	13.1
109.10143	50.9
111.04423	5.6
111.08073	10.2
112.87310	5.0
117.07019	21.7
119.08573	41.3
121.06476	10.7
121.10107	28.5
123.04446	5.6
123.08057	22.0
125.09615	23.7
129.05511	7.2
129.06984	19.2
131.08556	25.7
133.10121	29.4
135.08084	7.5
135.11703	11.3
137.09523	7.3
143.08641	5.7
145.10077	6.6
147.08107	7.7
147.11679	10.0
149.09647	20.7
157.10074	21.5
159.11710	8.5
161.09509	6.0
163.11115	8.0
175.11087	9.2
189.11220	7.2
193.12230	31.3
211.13268	31.6
223.13290	7.7
227.12790	8.5
229.14372	7.4
267.15945	12.9
271.73163	6.0
273.18481	12.0
275.19949	11.8
285.16812	9.0
291.19458	24.1
301.16559	6.6
365.23239	11.6
421.25568	10.4
439.26804	25.9
461.28592	10.1
479.29965	11.7
557.34247	8.3
559.36945	7.5
591.35297	37.4
609.36145	40.5
623.33655	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	968.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	23.3
67.19772	0.3
69.03384	0.3
69.07056	11.9
71.04977	0.6
77.86226	0.4
79.05479	21.3
81.03413	3.7
81.07043	33.1
83.04978	3.1
83.08606	3.9
85.02898	0.9
85.06536	0.8
91.05466	30.7
92.09380	0.7
93.07028	26.3
95.01305	4.3
95.04945	4.9
95.08588	21.9
97.02866	0.4
97.06515	8.6
97.10164	1.5
105.07021	38.0
107.04938	7.0
107.08578	11.6
109.06518	2.3
109.10145	7.6
111.08099	0.8
117.07002	7.7
119.04958	0.4
119.07725	0.7
119.08572	21.4
121.06483	2.1
121.10127	8.3
123.04427	0.8
123.08075	1.9
123.11692	1.9
125.09642	0.6
129.07034	0.9
130.07814	0.6
131.08553	13.5
133.10115	21.5
135.08072	2.0
135.11685	5.4
137.09604	0.8
141.06981	0.8
143.08594	2.1
145.06459	1.4
145.10127	7.4
147.11671	7.0
149.09651	2.5
149.13275	2.1
151.11191	0.7
157.10162	2.0
157.99736	0.4
159.11674	5.3
160.92278	0.4
161.13281	2.8
163.11200	2.3
165.09059	0.5
169.10094	0.8
171.11723	0.6
173.13304	1.7
175.14801	0.5
177.12810	1.5
179.14287	5.9
183.11719	0.4
185.13374	0.6
187.11253	0.6
187.14883	0.5
193.12149	0.4
201.81120	0.4
219.17429	11.3
232.92203	0.4
257.18939	0.9
275.20038	18.7
276.79874	0.4
335.25772	16.4
349.23700	14.0
402.29636	0.4
609.45081	100.0
610.45178	4.2
627.46124	0.9
782.09930	0.4
969.57471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	5.3
69.03420	3.6
70.14001	0.8
71.04994	0.8
71.08623	1.6
73.02907	3.5
81.03387	1.1
81.07066	3.3
83.08620	1.7
85.02909	6.1
86.40186	1.0
91.03951	2.0
91.05468	1.0
93.38489	0.8
95.08603	2.2
97.02885	4.9
97.10188	1.1
107.08552	1.1
109.02922	1.1
109.10165	4.0
127.03895	0.9
173.11771	1.0
229.14398	1.8
243.08395	1.3
310.04880	1.0
313.27322	3.5
347.09576	1.4
365.10431	1.4
391.68613	1.1
405.13541	7.1
426.49905	1.0
460.97006	0.9
488.63553	1.1
497.30969	6.9
549.26611	3.8
623.51160	1.2
659.35913	7.4
711.32251	1.7
726.54718	1.3
940.66028	1.2
967.55786	100.0
968.55725	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	964.6197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	26.2
69.03407	1.9
69.07068	10.3
71.08617	23.6
74.11269	1.0
79.05477	30.4
79.11658	1.1
81.03394	2.7
81.07043	25.3
83.04951	2.7
83.08598	18.1
85.02905	4.7
85.10174	13.8
86.59208	1.1
91.03970	2.0
91.05465	15.3
93.07030	12.6
95.08594	19.6
95.34975	1.2
97.02895	2.5
97.10153	35.7
103.05496	1.1
103.07551	1.3
105.07026	16.4
107.04960	4.7
107.08587	44.7
109.06485	1.9
109.10154	13.2
117.06984	4.8
119.08566	6.4
121.10148	2.1
123.11681	5.5
125.09616	24.0
127.03918	1.3
131.08563	6.3
133.10107	8.8
135.08025	5.8
135.11743	2.3
143.08549	1.8
145.10120	10.3
147.11671	6.2
149.09624	6.8
153.09125	1.3
159.11684	4.9
161.13277	1.2
171.11603	1.5
189.11162	17.7
197.13252	1.7
227.12790	34.1
239.17972	1.6
239.23592	1.6
248.37659	1.4
257.19159	4.3
275.20023	24.4
313.27332	75.5
331.22650	5.6
349.23688	26.5
375.86966	1.4
483.36700	23.3
569.45544	2.8
587.46655	100.0
588.46338	1.3
605.47382	5.5
627.40747	6.6
963.58807	2.0
964.59839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.5
69.03419	4.2
69.07072	1.0
69.33842	0.7
71.08608	1.3
73.02929	2.1
79.05474	2.2
81.03398	1.1
81.07058	5.9
85.02909	6.1
85.10199	1.3
91.05468	1.7
93.07019	1.5
95.08569	2.0
97.02898	6.0
97.10147	1.4
98.03645	0.9
101.02365	1.0
107.08582	1.1
111.96315	1.1
111.98101	0.8
131.08611	0.8
139.39250	1.0
148.28398	0.9
239.03809	1.0
243.08673	1.2
265.15366	0.9
313.27359	1.4
347.09494	1.8
405.13782	6.3
497.31079	8.0
507.40613	2.0
508.40994	1.4
509.41290	1.1
659.36176	11.1
967.55804	100.0
968.56305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05139	1.3
67.05495	36.2
69.03416	4.8
69.07056	25.5
71.04989	3.3
71.08615	31.0
73.02911	3.1
77.74619	0.6
79.05479	32.2
79.05953	1.1
81.03397	6.2
81.07039	39.4
83.04971	5.8
83.08604	19.9
85.02895	10.4
85.06528	1.3
85.10165	15.0
89.06020	1.5
91.03944	3.2
91.04883	1.0
91.05458	27.2
93.07021	26.9
95.04940	6.4
95.08584	37.6
97.02872	8.4
97.06509	10.2
97.10152	18.8
99.04430	1.3
99.08085	1.3
100.11133	0.6
100.80589	0.6
103.07545	1.1
105.07014	24.3
107.04929	8.1
107.08578	28.8
109.02894	2.3
109.06512	4.2
109.10147	22.4
111.08099	2.7
111.11675	0.9
117.06999	10.4
119.08556	15.4
120.05766	0.5
121.06519	2.7
121.10100	7.8
123.08093	3.0
123.11675	5.9
125.09608	13.5
127.03893	3.0
129.06995	3.3
131.08554	12.2
133.06500	1.1
133.10107	16.6
135.08058	4.0
135.11685	5.3
137.09584	1.1
143.08582	3.9
145.10097	14.9
147.11664	10.0
149.09595	10.0
149.13290	3.0
151.07442	0.6
151.11185	0.8
155.08542	1.1
157.10132	4.0
159.11678	10.7
161.09604	1.0
161.13249	2.9
163.11200	6.4
163.14824	0.8
165.09093	0.8
169.10091	1.4
171.10225	1.1
171.11729	3.0
173.11815	1.1
173.13268	3.5
177.12793	1.5
179.14320	1.4
180.14618	0.7
183.11679	3.3
185.13223	0.8
187.14880	0.7
189.11191	7.7
189.12663	0.8
195.13792	0.8
217.15749	0.9
223.13382	0.8
227.10527	0.7
227.12743	17.2
229.14296	3.6
229.19545	1.2
239.17961	2.4
239.23686	3.5
247.20454	2.6
255.15767	1.5
257.18948	9.3
257.24698	2.8
269.17459	4.1
275.19995	28.9
291.19440	0.8
293.21011	1.4
313.27313	97.1
314.27414	0.7
321.24414	1.2
331.22693	3.3
349.23669	32.3
367.24628	3.0
409.32986	2.5
467.37354	9.4
483.36725	10.7
491.40970	1.2
493.38608	3.0
507.33667	1.0
507.40485	17.3
527.27271	0.7
547.43445	1.1
569.44958	1.1
587.46619	100.0
588.47009	4.3
605.47729	16.7
627.40320	0.8
651.44379	1.3
721.46796	0.8
731.50342	0.8
749.51721	1.3
765.36298	0.8
848.23065	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	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	49.6
69.03415	8.1
69.07056	28.6
71.01312	0.7
71.04967	4.7
71.08619	36.5
73.02892	4.0
74.09693	0.5
79.05003	0.8
79.05476	38.7
81.03412	11.2
81.07040	70.1
83.04960	8.6
83.08607	22.9
85.02895	14.2
85.06524	3.6
85.10172	20.2
88.67196	0.6
89.06009	1.7
91.03928	4.2
91.04896	1.2
91.05463	33.6
93.07026	41.1
95.04956	8.0
95.08588	53.0
97.02872	11.0
97.06509	12.9
97.10150	15.3
99.04425	1.4
99.08067	1.5
99.11739	1.0
103.05436	0.7
103.07574	1.6
105.06367	1.2
105.07018	26.7
107.04940	5.7
107.08576	28.5
109.02858	1.7
109.06519	6.6
109.10140	21.0
111.08061	4.6
111.11710	0.6
115.05431	1.0
117.07018	13.8
119.08566	20.1
121.06475	2.8
121.10132	11.3
123.08047	2.9
123.11689	10.4
125.09595	6.1
127.03899	4.5
128.06226	1.2
129.06978	4.2
131.08548	16.7
133.06441	1.0
133.10100	15.0
133.54251	0.7
135.05211	0.7
135.08049	3.1
135.11652	9.5
137.09602	1.6
137.13205	2.4
141.06952	1.0
143.08513	5.5
145.06453	0.7
145.10123	14.1
147.08009	0.9
147.11673	6.6
149.09572	8.5
149.13235	7.8
151.11163	1.5
155.08522	1.3
157.10091	4.3
159.07982	0.8
159.11667	10.5
161.09608	1.3
161.13232	3.8
163.11159	5.1
164.15306	0.8
169.10074	0.9
171.11659	3.5
173.04485	2.7
173.13251	4.8
175.11156	0.7
177.12747	4.3
179.14305	1.4
183.11642	2.7
185.13196	1.4
187.14842	0.9
189.11182	3.4
189.12733	0.8
195.13766	1.4
197.13292	1.1
199.14926	0.8
199.72380	0.7
207.40532	0.8
212.96101	0.7
217.15855	0.9
217.75339	0.7
221.22617	0.9
227.12781	7.3
229.19435	1.0
239.17957	2.5
239.23662	3.7
247.20592	1.6
255.15868	3.4
257.18997	6.1
257.24850	1.3
269.17429	12.8
275.19983	19.9
277.68497	0.8
291.19568	0.8
293.21045	1.1
309.20407	1.3
313.27310	100.0
314.27567	2.7
331.22546	3.4
339.18018	0.8
349.23669	18.8
367.24905	1.0
406.83914	0.8
413.21555	0.9
467.37164	2.6
483.36514	1.2
491.40897	0.9
493.38757	17.2
507.40381	75.4
508.40628	1.7
547.43506	10.5
587.46667	49.6
588.46863	1.2
605.47656	12.8
611.41345	1.1
627.40955	0.9
651.44293	3.8
712.89087	0.9
749.51697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	44.1
69.03413	8.3
69.07057	27.3
70.07387	1.1
71.04967	2.4
71.08618	33.4
73.02901	2.7
79.05479	34.1
81.03395	7.5
81.07043	59.7
83.04962	9.4
83.08604	26.0
85.02898	15.9
85.06516	2.3
85.10163	17.7
89.05992	1.0
91.03937	7.4
91.05460	32.7
93.07029	37.1
94.35365	1.3
95.04938	12.2
95.08582	44.2
97.02874	10.9
97.06497	7.8
97.10154	11.8
99.04481	1.7
99.08101	1.6
103.97674	1.2
105.07021	25.1
107.04936	5.9
107.08592	23.4
109.06490	5.0
109.10136	23.0
111.08085	4.2
115.05385	1.3
117.06990	13.3
119.08573	19.3
121.06483	1.5
121.10137	10.5
123.04494	1.2
123.08020	2.5
123.11694	5.8
125.09609	6.2
127.03898	4.6
129.05397	1.3
129.06953	4.3
131.08549	16.0
133.10118	20.5
135.08070	4.5
135.11630	9.1
137.09573	2.0
141.07034	1.4
143.08536	5.3
145.10106	13.5
147.11665	6.3
149.09610	4.8
149.13226	7.0
151.11220	1.9
155.08537	1.3
157.10149	4.3
159.11662	10.7
161.09537	1.5
161.13191	2.2
163.11143	6.1
171.11624	1.9
173.13309	1.6
189.11237	1.5
195.13875	1.5
199.14835	1.4
202.57790	1.3
223.13255	2.2
227.12759	6.3
232.55806	1.2
239.23599	1.4
247.20387	1.7
255.15955	6.4
257.18933	9.0
257.24707	1.8
269.17426	13.5
275.20029	23.1
293.21146	2.6
313.27325	100.0
314.27686	1.5
349.23651	22.2
367.24677	6.3
466.06226	1.3
467.37357	1.6
483.36670	1.5
493.38818	21.9
507.40417	63.2
547.43530	4.7
587.46637	67.4
588.46716	2.4
605.47723	31.6
742.03040	1.3
938.00128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	34.7
69.03415	3.8
69.07054	24.2
71.08623	38.5
73.02923	3.6
79.05470	31.8
81.03404	7.6
81.07046	59.8
83.04953	5.0
83.08600	17.4
85.02905	21.4
85.10172	17.5
91.03939	4.0
91.05466	36.5
92.09390	5.7
93.07031	34.5
95.04923	11.8
95.08595	45.3
97.02874	14.7
97.06511	4.8
97.10180	6.3
101.11448	3.0
105.07006	40.9
107.04955	3.4
107.08614	16.6
108.92312	3.1
109.02796	3.5
109.10152	14.2
111.08089	3.6
112.36175	2.7
117.07006	15.0
119.08563	30.9
121.06481	5.4
121.10124	15.2
123.07985	3.2
127.03789	4.0
129.06973	5.7
131.08578	7.7
133.10129	19.7
135.07970	3.2
135.11664	6.2
145.10123	4.8
147.11638	7.4
149.13184	5.5
159.11610	3.6
161.13222	4.5
167.64305	3.3
171.11743	5.6
174.52611	3.1
185.15674	3.2
259.20551	18.7
269.17288	6.7
275.20026	14.2
293.21048	85.0
302.65570	3.9
313.27325	100.0
333.24084	15.8
367.24799	22.6
507.40439	35.1
587.46497	13.0
589.48444	29.5
605.47687	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	59.9
69.03407	3.3
69.07061	23.9
79.05474	89.4
81.03397	14.7
81.07041	69.7
83.04950	17.5
83.08608	12.2
85.02908	5.0
85.06539	2.5
91.05461	68.4
91.06012	4.1
93.07024	76.7
95.04956	25.3
95.08573	38.1
97.06521	15.3
97.10162	4.0
99.08120	2.6
105.04505	2.4
105.07028	48.5
107.04922	5.2
107.08572	34.0
109.06508	9.2
109.10152	17.1
111.08049	4.2
115.05503	2.5
117.07023	14.3
119.08586	30.3
121.06430	2.8
121.10088	14.8
123.08060	4.6
125.09625	2.3
128.06207	2.3
129.05443	2.3
129.06970	20.5
131.08600	17.0
133.10114	17.8
135.08076	3.1
135.11676	8.1
143.08559	13.7
145.10094	15.6
147.11670	37.9
149.09610	3.0
149.13264	9.3
159.11679	12.2
161.09613	4.4
161.13284	10.6
163.11137	3.7
168.09441	2.3
169.10098	2.8
171.11679	18.5
177.12730	4.7
189.12718	4.9
207.13812	13.5
229.14241	2.8
239.17801	2.1
275.20059	13.3
281.17410	36.8
349.23932	3.0
399.23322	2.4
435.27280	13.8
475.30484	100.0
475.37363	3.4
537.36066	3.2
555.36786	43.9
571.35828	2.9
587.38568	10.0
605.36548	13.0
619.34467	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	962.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	4.1
67.05492	20.0
67.20347	0.3
69.03415	6.8
69.07056	20.7
71.04976	2.1
71.08240	0.8
71.08616	17.5
73.02905	1.7
79.05473	14.6
79.05897	0.7
81.03415	3.7
81.07039	21.7
83.04976	2.1
83.08601	13.2
83.27027	0.4
85.02898	4.8
85.06531	0.6
85.10173	9.0
89.05988	0.8
89.91534	0.4
91.03944	2.5
91.05465	11.4
92.08672	0.5
93.07021	12.3
94.04122	0.4
95.04934	6.1
95.08579	20.7
97.02868	9.4
97.06525	1.6
97.10152	11.2
103.07587	0.7
105.07011	6.6
107.04940	5.5
107.08587	9.0
109.02855	0.6
109.06518	2.5
109.10136	10.5
111.08060	0.7
117.07001	4.9
119.08559	9.3
121.06503	2.1
121.10146	2.4
123.08074	2.5
123.11722	2.5
125.09592	7.1
127.03957	0.5
129.07004	2.8
131.08542	6.6
133.06514	2.2
133.10071	3.0
134.07295	0.8
135.08014	3.2
135.11699	1.9
137.09630	0.8
137.13202	0.5
143.08546	1.0
145.10120	2.8
147.08029	4.3
147.11665	1.9
149.09673	0.7
149.13264	1.7
152.82214	0.5
157.10162	2.0
159.08072	0.6
159.11714	0.9
161.09616	1.0
162.10316	0.6
163.11198	0.8
165.09152	0.4
171.11693	1.6
175.11148	1.0
177.12776	0.5
182.92116	0.4
189.11194	1.0
189.12732	0.7
195.13724	0.9
205.12241	1.0
223.13246	15.7
223.15266	0.7
227.12869	1.7
239.23749	1.0
245.18942	0.8
249.14952	2.5
257.24765	1.6
273.18457	8.6
291.19489	68.9
292.19925	0.7
313.27310	55.5
314.27850	0.5
330.70642	0.5
347.22394	0.5
365.23181	29.4
483.36804	2.4
523.39764	3.3
585.44769	2.1
603.46106	100.0
604.46637	3.8
621.47504	0.8
627.40887	0.7
847.17340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05169	4.5
67.05495	18.5
69.03424	7.6
69.07053	24.4
71.00150	0.6
71.04995	0.6
71.08616	17.9
79.05477	16.0
81.03393	4.0
81.07040	25.7
83.04973	2.5
83.08613	12.4
85.02880	3.6
85.06528	0.8
85.10176	9.9
88.11261	0.6
91.03930	1.1
91.05466	9.6
92.08597	1.6
93.07029	10.9
95.01343	0.9
95.04944	5.1
95.08587	19.7
97.02866	9.3
97.06520	1.5
97.10143	9.6
103.05492	0.9
105.07014	8.8
105.32663	0.6
107.04972	5.1
107.08579	8.0
107.28246	0.7
109.06506	4.4
109.10149	8.3
111.08022	0.8
115.05433	0.7
117.06982	5.1
119.08588	8.3
121.06503	3.1
121.10127	3.2
123.08062	1.5
123.11698	2.8
125.09619	4.6
129.06993	3.2
131.08559	5.6
133.06461	3.4
133.10120	3.9
134.07249	0.8
134.46078	0.7
135.08026	2.7
135.11696	0.9
137.09607	1.5
143.08574	1.5
145.10117	2.8
147.08034	4.1
147.11736	0.9
149.09593	1.0
149.13283	1.6
157.10130	1.4
159.11624	1.0
161.09581	2.8
163.11136	0.8
165.09019	0.9
175.11090	1.3
189.11285	2.3
195.13803	0.8
205.12404	0.8
217.98746	0.7
223.13257	10.6
227.12703	1.0
239.23729	1.1
242.56671	0.8
244.83681	0.7
249.14801	4.4
257.24780	0.9
267.15762	0.8
273.18402	9.7
286.90250	0.8
291.19510	60.4
292.19827	0.7
313.27310	54.2
347.21808	0.7
365.23166	25.1
396.46454	0.7
419.80685	0.7
483.36603	1.3
505.38480	1.1
519.74982	0.7
523.39813	3.8
585.44965	4.2
603.46124	100.0
604.46338	2.8
637.51154	0.9
827.41534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04841	2.1
67.05165	4.9
67.05491	24.2
69.03413	9.3
69.07056	24.2
71.08614	18.5
79.05479	18.6
81.03411	1.5
81.07039	21.7
83.04984	2.2
83.08619	13.7
85.02895	6.4
85.10168	9.5
91.03952	2.8
91.05467	15.7
93.07025	12.8
95.04944	6.6
95.08581	21.3
97.02884	11.6
97.10135	12.2
105.07037	12.0
107.04951	3.4
107.08595	9.2
109.10132	11.1
117.06969	3.8
119.08566	7.7
121.10162	2.3
124.12282	1.5
125.09611	6.4
129.06923	1.7
131.08534	7.4
133.10110	5.8
135.08041	2.4
139.18327	1.4
143.08591	2.2
145.10149	3.1
147.08044	3.0
147.11681	2.4
157.10118	1.5
171.11797	1.9
179.54579	1.7
189.11162	2.6
205.12239	1.8
207.54979	1.8
223.13324	17.7
249.14874	1.9
257.24634	1.7
273.18369	8.0
291.19495	84.2
313.27338	57.6
365.23215	49.9
523.40033	2.3
603.46155	100.0
604.46344	2.2
828.07898	2.0
898.86115	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	962.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	4.8
67.05486	39.1
67.84885	1.4
69.07052	12.0
71.04989	4.0
71.08611	14.5
79.05473	22.0
81.03385	2.2
81.06586	3.0
81.07037	46.4
81.66710	1.7
83.04967	7.5
83.08608	9.1
85.02893	2.9
85.06507	1.6
85.10168	8.2
91.05454	27.7
93.07026	22.3
94.18998	1.6
95.04937	3.7
95.08581	21.4
97.06480	2.8
97.10160	2.4
105.07011	26.9
107.04925	6.5
107.08594	19.0
109.06492	6.7
109.10136	34.7
117.06960	3.9
119.08554	6.7
121.06464	3.3
121.10149	2.1
123.11665	6.1
131.08517	8.6
133.06441	2.2
133.10118	51.2
133.11058	2.0
135.08087	2.5
135.11696	2.5
143.08565	3.4
145.10120	3.8
149.09583	6.8
151.11165	23.4
151.71155	1.7
161.09610	3.4
171.11638	2.5
175.11118	2.0
233.78505	1.7
253.12297	1.6
253.14281	55.3
273.18329	12.5
291.19473	9.8
313.27325	59.5
347.22040	2.2
365.23138	18.2
445.57553	1.9
507.36621	1.8
509.38226	30.0
585.44720	7.8
603.46155	100.0
604.46338	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	962.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05159	4.8
67.05481	31.3
69.07043	6.8
70.32800	0.9
71.04971	2.2
71.08300	0.9
71.08614	12.1
79.05477	18.2
81.03378	1.0
81.07045	18.7
83.08598	7.6
85.06528	6.0
85.10173	9.6
86.78029	0.9
89.06003	1.1
89.34201	0.9
91.05457	19.3
93.07025	16.5
95.04947	37.9
95.08586	18.5
97.06498	4.5
97.10148	4.8
98.05371	0.9
105.07043	9.9
107.04935	6.2
107.08572	13.2
109.05827	1.5
109.06508	32.6
109.10132	6.3
113.05991	15.6
115.05429	1.2
117.07003	10.1
119.08591	8.4
121.06462	2.4
121.10098	2.3
123.08070	1.4
123.11655	2.0
128.06197	1.6
129.06944	4.6
131.08513	10.8
133.10072	6.6
135.08029	27.9
135.11674	3.6
143.08536	7.1
145.06418	1.3
145.10106	5.1
147.08015	4.4
147.11674	1.4
149.09560	2.0
149.13242	1.5
157.10074	4.0
158.82048	1.1
159.07945	1.6
159.11639	2.0
161.09561	1.9
167.08473	1.0
175.11110	1.3
177.12764	1.2
182.72180	1.0
193.27953	1.1
217.15874	7.2
227.12595	1.2
240.01868	1.0
245.19157	1.3
273.18408	15.2
279.19812	1.2
291.19498	34.6
313.27304	50.8
347.22134	2.5
365.23105	9.3
545.41699	2.3
585.45123	19.4
602.45428	1.6
603.46149	100.0
604.46204	2.2
962.24475	1.2
965.88074	1.3
997.97577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	6.2
71.01328	0.1
71.04958	0.1
79.05457	0.4
81.03402	1.7
83.04954	0.5
84.64498	0.1
85.02885	1.0
85.06515	0.1
89.03890	1.7
91.05497	0.1
95.04917	0.1
95.22150	0.1
97.02872	4.8
97.06457	0.1
97.28875	0.1
99.04436	2.1
101.02325	0.1
101.29443	0.1
107.04935	0.9
109.02842	0.4
111.04394	0.2
113.05964	0.8
117.03356	2.8
119.04945	0.1
123.04411	0.1
127.03893	0.7
131.07053	0.1
135.04396	8.9
139.03903	0.1
145.02834	9.0
146.03125	0.1
147.04420	0.8
163.03874	100.0
164.04202	1.5
164.97693	0.1
167.11740	0.1
176.78391	0.1
181.04942	1.1
243.08577	0.4
265.07010	0.1
271.05975	0.2
279.06268	0.2
307.08145	0.8
309.09747	0.1
325.09128	21.0
326.09390	0.5
387.08960	0.2
405.11890	1.1
423.12778	2.0
455.15439	0.1
605.30884	0.1
612.80347	0.1
944.43188	0.1
948.01678	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	961.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03414	2.8
81.07044	2.4
85.02892	3.3
91.03989	2.9
92.09274	4.1
93.07061	2.1
93.65694	1.9
96.87173	2.1
97.02902	2.5
113.47030	2.2
387.35803	1.7
405.13748	4.2
519.28943	3.4
521.31104	3.1
601.83905	2.6
658.20898	2.4
681.34778	3.5
683.35687	3.4
961.58356	100.0
962.59631	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	960.588
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	11.8
69.07040	5.4
71.08627	10.8
76.67184	0.8
79.05474	7.1
81.07043	10.6
83.04963	9.9
83.08591	5.8
85.02885	1.6
85.06506	0.8
85.10179	7.1
91.05446	10.1
93.07030	7.3
94.49450	0.8
95.04929	1.9
95.08581	12.1
97.06511	1.0
97.10122	1.7
100.53192	0.9
105.07006	5.5
107.04929	12.1
107.08571	4.4
109.06486	3.8
109.10148	6.8
111.04417	5.3
116.93051	0.9
117.07006	3.7
119.08549	6.1
121.06448	1.7
121.10137	0.9
123.11639	1.3
129.06979	1.1
131.08545	7.4
133.06436	1.9
133.10133	1.9
134.73494	0.9
135.08043	1.8
135.11623	1.1
141.07048	1.0
143.08540	1.7
145.06407	1.1
145.10071	1.6
147.08022	3.3
147.11699	1.2
155.08543	1.5
159.08058	1.1
161.09546	0.9
163.11163	1.0
171.11656	1.3
173.09581	1.4
177.12712	1.5
204.10960	0.9
205.15791	1.5
225.16240	1.1
225.66856	1.1
233.15291	3.3
243.17300	1.4
257.24719	1.3
261.18436	1.0
271.16953	1.7
289.17975	8.9
313.23721	1.7
313.27325	40.9
363.21637	9.0
412.74670	1.0
601.44574	100.0
602.44678	3.8
706.11731	1.0
746.75189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.2
69.03421	3.2
73.02903	3.0
79.05500	2.1
81.03411	1.0
81.07047	2.3
85.02888	6.5
91.03938	3.1
91.05495	1.0
93.07044	0.9
95.08614	2.7
97.02891	6.1
99.04440	0.7
101.02378	2.0
107.08614	0.9
109.10205	0.5
121.10142	0.7
127.03900	1.8
185.04152	0.8
243.08357	2.0
248.77321	0.6
248.92096	0.5
345.90350	0.5
347.09668	2.2
365.10693	0.7
405.13666	6.0
519.29132	10.9
681.34515	9.2
687.84076	0.6
797.51544	1.1
855.76654	0.7
959.56830	100.0
960.57501	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	956.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05147	4.1
67.05494	100.0
69.03403	4.1
69.07056	41.9
74.44609	2.5
74.73362	2.3
74.73912	2.4
77.44091	2.4
79.05048	4.3
79.05476	62.0
81.07042	96.6
83.08604	17.7
85.02876	22.2
91.03925	19.1
91.05459	34.5
93.07030	63.1
95.04948	4.0
95.08008	5.0
95.08588	87.8
97.02878	16.8
97.10158	4.4
105.07011	34.7
107.08588	32.8
109.10152	34.5
114.69139	2.8
117.07014	4.1
119.08575	26.9
121.10144	22.8
123.11687	5.8
127.03902	5.1
131.08568	10.8
133.10085	17.0
135.11665	17.0
138.50983	2.7
145.10126	12.2
147.11667	15.9
149.13234	11.7
159.11661	10.6
161.13234	5.7
163.05925	3.6
163.14769	4.1
185.40520	2.8
187.14713	3.2
240.71811	2.7
243.21071	6.6
257.26489	3.4
261.22061	23.1
263.23779	3.2
333.24103	6.3
335.25705	80.0
337.27295	88.8
339.28748	3.3
404.97244	2.9
413.31982	3.4
461.86099	3.1
597.48663	39.4
615.40491	3.8
615.49792	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.3
68.99789	2.6
72.35811	0.2
79.05485	0.3
81.03400	0.3
87.93967	0.2
91.05458	0.3
95.04941	0.4
95.66666	0.2
101.62161	0.2
105.03378	0.2
107.04941	1.2
108.69244	0.2
109.02896	0.3
111.00804	1.7
111.01875	0.2
111.04430	0.4
119.04907	0.6
121.02848	1.6
123.04408	8.1
127.03883	3.5
129.07001	0.3
131.04906	0.5
135.04367	1.8
137.02325	12.8
137.03377	0.7
139.03877	7.1
139.05458	0.3
143.04895	0.4
145.02838	1.7
145.06331	0.3
147.04399	7.6
149.02327	13.4
149.05975	0.5
150.03079	0.3
151.03897	5.3
153.01820	5.8
153.05534	0.2
155.03320	2.3
157.06471	1.2
159.04424	1.1
161.02325	0.3
161.05917	1.4
163.03888	9.3
165.01851	1.0
165.05420	0.6
167.03360	2.1
169.06387	0.4
171.04390	1.0
173.02303	2.3
173.05902	1.2
175.03911	4.7
175.07576	0.3
177.01816	0.5
177.05411	1.8
179.03346	2.2
181.04974	0.3
181.06425	0.4
183.04387	0.4
185.05933	2.8
187.03845	2.9
189.01871	0.5
189.05418	2.7
191.03372	7.0
193.05005	0.5
195.04492	0.3
197.05977	1.2
199.03802	1.9
201.01791	1.4
201.05409	2.6
203.03360	6.9
203.06902	0.4
205.04958	1.2
207.02817	0.3
211.07483	0.2
213.05438	6.7
215.03380	6.8
215.06830	0.3
217.05014	1.7
219.02859	2.9
221.04271	0.4
225.05383	1.1
227.03285	1.3
227.06990	0.5
229.04915	4.8
231.06479	13.6
233.04391	2.6
235.02411	0.9
237.03767	1.2
237.05542	1.3
239.03358	0.6
239.06888	0.3
241.04903	4.7
242.05530	0.3
243.02852	3.2
243.06668	1.0
245.04390	4.1
247.05940	6.0
249.05318	0.3
253.04945	1.9
255.02632	0.3
255.06490	1.5
257.04395	18.6
258.05197	2.9
259.05923	9.8
261.03885	1.0
265.04846	2.1
267.02795	0.3
267.06427	1.0
269.04404	14.4
270.04974	0.4
271.03290	0.4
271.05905	3.4
273.03857	0.5
275.05414	1.8
277.05127	0.4
279.06387	1.0
281.04398	4.0
282.05182	1.1
283.02423	0.4
283.05936	2.6
285.03906	3.9
286.04391	0.6
287.05447	100.0
288.05740	2.2
291.08698	1.0
293.04419	1.5
295.05896	2.1
296.06540	0.3
297.03931	4.2
299.05438	5.5
301.03500	0.4
303.04941	0.3
305.07831	0.3
307.05978	0.6
309.03864	2.5
309.07098	0.3
311.05365	4.1
313.03320	0.5
315.05060	1.4
317.07831	0.3
319.05948	0.4
321.03842	1.2
323.05423	0.5
325.03403	0.5
327.04956	1.8
329.07199	0.3
333.07245	0.5
335.05429	0.9
337.03375	0.6
337.07117	0.6
339.05054	2.6
345.06226	1.6
347.05527	0.3
349.06815	0.4
351.04648	0.4
355.04565	0.4
357.06113	2.2
361.06940	1.5
363.06885	1.4
365.06583	0.9
373.06720	1.7
375.07346	3.1
377.06567	2.0
385.06741	0.5
387.08481	1.4
389.06461	4.4
391.07886	1.6
393.05835	1.0
394.06696	0.4
395.07556	2.8
397.07098	0.5
401.06473	1.2
403.07895	1.3
405.05731	0.5
407.07590	1.1
409.09167	4.0
411.06723	0.5
413.08795	6.9
415.08185	0.6
417.05942	4.0
419.07388	2.3
421.08981	1.1
425.08420	1.6
429.05881	0.8
431.07654	1.8
435.06952	3.8
436.27805	0.3
437.08429	0.4
441.05963	1.1
445.05319	0.4
447.06879	1.3
449.08539	1.4
455.09265	0.4
459.06885	1.3
461.08862	0.3
463.06433	0.4
465.08234	0.5
477.08118	0.5
481.07770	1.6
483.08722	0.5
485.10739	3.1
487.06528	1.6
493.06885	0.4
505.07593	2.7
523.08844	2.5
525.08154	1.2
539.09412	0.3
543.09149	2.1
549.07269	0.3
551.09540	0.4
557.10968	0.4
561.09424	0.6
567.09375	0.6
569.10864	0.5
573.09906	0.5
585.09680	1.5
587.11188	0.9
589.09271	1.1
595.08136	1.2
607.10779	12.9
613.09406	3.0
631.10895	5.4
643.10760	1.0
649.11670	5.0
661.11774	2.9
695.13635	2.2
713.14655	5.6
751.12256	0.4
769.13043	1.2
813.16498	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	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	77.7
69.03421	3.0
69.07056	19.1
71.04978	0.9
73.02887	5.5
79.05475	54.6
81.03395	1.6
81.07037	81.3
83.04970	3.3
83.08605	8.2
85.02889	22.1
85.06532	2.8
91.03944	13.5
91.05461	34.3
93.07025	65.8
95.04948	8.3
95.08587	65.2
97.02879	10.6
97.06521	1.7
97.10165	3.7
98.31505	0.7
103.05459	1.1
105.04501	2.8
105.06354	0.8
105.07009	28.4
107.08578	35.8
109.06487	1.5
109.10141	27.3
111.08088	1.3
117.07017	9.7
119.08562	24.4
121.10118	24.6
123.08019	1.0
123.11671	7.9
127.03925	3.2
129.07002	3.3
130.07841	0.7
131.08549	21.8
133.10107	17.5
133.32486	0.7
135.11653	16.8
137.09605	1.2
137.13272	2.9
143.08559	1.5
145.04974	4.3
145.10106	12.8
147.11644	12.7
149.09668	1.2
149.13232	12.5
157.10135	3.1
157.93182	0.8
159.11644	12.8
161.13216	7.0
163.06030	4.2
163.14847	4.7
171.11690	3.9
173.13228	7.3
175.14842	3.4
177.16397	1.1
178.82185	0.7
179.14427	0.7
185.13203	3.0
187.14833	4.4
189.16229	0.8
199.14795	1.4
201.16364	0.9
213.16382	0.9
215.17899	1.6
241.19701	2.6
243.21048	4.9
259.20563	8.8
261.22076	17.6
263.23581	1.2
279.23077	1.2
312.25565	0.7
317.24722	3.3
331.42590	0.8
333.24152	8.2
335.25729	100.0
336.25995	1.4
337.27298	11.7
339.28879	0.7
356.61099	1.1
467.52292	0.9
521.43414	3.9
539.44519	1.3
543.40186	1.2
595.47186	24.7
613.48157	33.0
977.31750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39755	0.7
67.05508	0.9
69.03423	3.6
73.02908	4.0
75.25167	0.7
79.05477	0.9
80.99412	0.9
81.03427	1.3
81.07053	1.5
85.02900	7.9
91.03951	3.7
91.81404	0.8
93.07020	1.2
95.08613	1.5
97.02877	6.6
101.02397	1.8
105.07024	0.9
109.02900	1.2
157.14403	0.9
185.04263	1.1
208.92488	0.8
219.28426	1.0
239.89958	0.9
260.17343	1.0
313.27567	1.1
347.09665	4.5
405.13870	6.9
465.13538	0.9
497.30533	7.3
659.36066	10.4
697.33490	1.7
905.57800	1.0
953.57935	100.0
954.58154	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	952.6016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	91.4
69.03429	3.3
69.07059	21.3
73.02896	6.7
79.05475	72.8
81.07037	76.9
83.08593	5.1
85.02896	38.5
91.03960	18.9
91.05456	76.8
93.07022	71.0
95.04961	8.2
95.08585	63.1
97.02864	12.9
97.06528	3.8
105.07020	53.5
107.08557	29.7
107.90904	3.4
109.10136	23.1
117.07008	24.2
119.08559	46.0
121.10152	29.6
123.11666	6.7
129.06985	14.1
131.08510	34.9
133.10143	30.7
135.11691	17.8
143.08539	6.8
145.10123	17.6
147.11694	8.2
149.13174	5.3
157.10143	6.4
159.11688	17.7
161.13266	21.3
163.06287	3.8
167.17735	3.6
171.11687	5.3
173.13225	15.9
175.14845	15.1
185.13293	4.6
241.19479	14.9
259.20560	19.1
261.22195	6.4
333.24161	28.5
335.25766	100.0
337.27344	6.1
480.90860	3.7
553.98895	3.7
593.45154	5.4
611.46686	20.2
951.55609	22.3
952.56970	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	57.5
69.03388	4.2
69.07058	8.8
79.05475	58.6
81.03398	60.8
81.07048	52.8
83.04965	6.5
83.08604	20.0
85.02883	8.5
91.05465	62.9
93.07026	71.7
95.04953	37.3
95.08578	30.9
97.02867	3.5
97.06530	4.9
97.10149	15.6
105.07021	56.1
107.04950	16.2
107.08609	33.5
107.14013	3.5
109.06515	4.8
109.10138	16.2
111.05193	3.0
111.08056	4.2
117.07004	27.0
119.08568	43.9
121.10115	22.6
123.11668	3.1
125.09587	7.0
129.07021	29.7
131.08575	40.4
133.10107	24.7
135.11714	6.6
142.07774	3.8
143.08553	17.5
145.10094	29.3
147.11638	30.4
155.08566	6.1
157.10097	21.8
159.11652	19.6
161.13258	7.7
163.11099	6.1
169.10078	6.2
171.11676	15.3
173.13234	8.0
175.11168	6.1
183.11646	6.4
185.09587	3.6
185.13240	4.7
195.11647	4.7
227.12662	4.6
257.65799	3.5
259.20639	12.7
261.27310	3.8
267.15936	18.1
333.24298	4.5
421.25623	5.5
424.27582	4.5
451.31955	5.6
525.35596	29.8
543.36755	100.0
574.76599	4.1
575.38647	14.6
584.59515	3.8
880.32300	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	952.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	58.2
69.03403	8.7
69.07056	20.2
71.04968	6.8
73.02908	1.8
73.06515	1.3
79.05478	63.5
81.02933	2.8
81.03400	68.2
81.07040	100.0
83.04971	29.4
83.08609	37.0
85.02892	38.2
85.06516	2.8
91.03931	1.9
91.05463	61.2
93.07020	43.2
95.04944	46.8
95.08588	30.3
97.02847	10.2
97.06509	12.5
97.10138	31.4
99.04431	2.5
100.93904	1.6
103.05428	1.9
105.07018	45.6
107.04945	23.3
107.08586	29.1
109.02844	1.8
109.06523	20.3
109.10139	13.2
111.04432	20.0
111.08073	15.8
115.05397	2.6
117.07009	22.0
119.04911	2.1
119.08567	45.5
121.06456	12.6
121.10119	18.6
123.04427	2.0
123.08046	23.0
123.11683	1.6
125.09610	25.8
129.06995	18.6
131.08530	25.3
133.06454	8.3
133.10101	22.7
135.08038	10.0
135.11627	12.7
135.23201	1.7
137.09584	8.3
141.06982	1.5
142.07794	2.0
143.08545	7.4
145.10100	22.1
147.08009	15.4
147.11684	19.5
149.09608	12.4
149.29739	1.5
153.09090	2.3
153.12672	6.8
155.08542	6.3
157.10098	20.2
159.07996	2.4
159.11649	8.9
161.09624	10.6
163.11156	22.3
165.09074	3.4
165.12895	2.0
169.10260	2.2
171.08064	2.0
171.11673	5.9
173.09578	6.3
173.13361	1.7
175.11153	17.4
181.12204	3.6
185.13129	3.3
189.11177	16.2
189.12726	2.5
191.10715	3.2
193.12206	44.7
195.11627	2.2
205.12317	1.8
211.13240	32.6
223.13275	2.0
227.12764	14.6
245.18875	2.1
249.14836	2.5
255.17305	2.1
267.15805	20.6
273.18408	32.0
283.15302	6.1
285.16879	45.6
291.19476	48.4
309.20682	3.7
347.22028	6.7
365.23227	26.7
383.24219	14.3
437.25308	2.9
447.27063	2.2
465.29843	1.8
477.28223	1.9
483.30780	1.8
539.33490	8.1
557.34674	39.6
575.35693	70.5
593.36768	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	952.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05147	3.7
67.05492	95.9
68.11243	2.5
69.03395	11.6
69.07050	40.8
71.01324	10.8
71.04984	6.0
73.02893	5.0
79.05052	4.9
79.05475	87.5
80.10123	2.7
80.71616	2.7
81.03399	53.9
81.07040	90.2
83.04960	29.3
83.08604	23.8
85.02887	37.9
85.06536	4.7
91.03973	5.3
91.05455	100.0
92.08688	3.3
93.07022	62.8
95.04939	44.9
95.08585	51.8
97.02856	13.5
97.06525	23.7
97.10159	13.1
103.05405	3.1
105.07010	68.5
107.04935	18.7
107.08571	40.9
109.06491	13.1
109.10154	28.9
110.83244	2.7
111.08067	13.8
115.05418	5.4
117.06976	26.1
119.08566	60.1
121.10099	25.8
123.08057	5.8
123.11622	3.1
125.09616	11.2
128.06160	3.4
129.05481	3.5
129.07014	20.6
131.08580	38.6
133.10103	48.9
135.11667	12.6
137.09631	3.9
142.07732	3.1
143.08530	11.3
145.10112	17.7
147.07971	4.7
147.11641	33.2
149.09596	14.0
149.13263	5.0
157.10085	19.7
159.11679	16.1
161.09581	5.0
161.13231	10.8
163.11169	14.1
169.10017	4.0
171.11629	6.9
173.13222	10.9
175.11200	11.3
189.33827	2.9
193.12199	26.9
211.13284	20.6
229.14331	4.3
247.20320	3.7
252.73155	3.4
259.20468	31.6
267.15814	12.8
269.17419	2.9
273.18655	4.2
275.19940	17.2
283.15366	4.7
285.16901	24.8
291.19562	4.5
299.14792	19.5
333.24231	19.5
335.70102	2.5
349.23718	21.4
365.22879	4.6
421.25986	3.2
423.27222	5.4
439.26715	19.0
450.03500	3.0
494.18112	2.9
495.28561	3.7
539.33606	2.9
557.14294	3.0
557.34521	17.8
559.36414	21.9
575.35614	39.1
607.50134	3.4
640.38770	3.5
719.41833	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	951.564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	6.9
69.03424	3.9
69.07084	1.9
71.08618	7.5
73.02914	3.1
79.05471	3.5
81.03419	2.2
81.07053	8.5
83.08629	3.3
85.02902	9.1
85.06133	1.6
91.03941	4.1
91.05482	6.2
92.01951	1.6
93.07037	3.3
95.08586	6.7
97.02901	6.6
105.07028	7.2
109.10225	1.7
119.08581	2.9
133.10138	3.1
139.00238	1.8
159.11742	2.3
188.91841	1.5
190.70966	1.7
243.35420	1.7
259.20642	1.8
260.21030	2.4
313.27481	3.5
314.27899	3.1
315.19485	2.8
350.22580	1.7
405.13858	9.5
405.97934	1.7
497.30899	11.2
514.89014	2.0
533.27100	3.5
591.48926	4.1
659.35919	6.4
695.32410	2.7
770.19244	2.1
951.56226	100.0
952.56451	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	950.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	58.3
69.07053	15.3
69.53367	3.3
71.08620	25.2
79.05477	37.4
81.07047	62.3
83.08617	21.7
84.06996	3.0
85.02905	7.9
85.10169	14.9
86.91518	3.0
90.13621	3.1
91.03957	5.6
91.05479	20.8
93.07021	46.9
95.04974	3.6
95.08595	56.0
97.02840	3.9
105.07018	15.2
107.08574	30.9
108.74032	2.9
109.04722	2.9
109.10168	21.0
111.08057	3.1
117.07047	3.7
119.08585	12.8
121.10145	18.0
123.11724	6.0
131.08586	19.9
133.10147	4.3
135.11688	15.9
137.13319	3.1
145.10202	6.0
147.11671	4.9
149.13252	13.5
159.11630	3.2
161.13248	4.8
163.14751	4.3
173.13290	7.4
211.78836	3.9
242.85187	3.9
243.21072	14.6
261.22061	44.3
313.27328	100.0
335.25830	54.6
434.71094	3.7
497.13193	3.2
497.29617	3.8
573.48608	44.5
591.49280	25.5
735.54144	5.5
748.45923	3.8
843.37579	3.6
953.22388	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	950.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	92.7
69.03415	2.1
69.06708	1.8
69.07060	27.2
70.90862	1.0
71.04973	5.1
73.02911	1.8
79.05479	100.0
81.03403	14.5
81.07043	92.8
83.04967	18.1
83.08610	19.2
85.02882	5.4
85.06523	4.8
91.03945	2.0
91.05468	89.0
93.07031	95.9
95.04951	32.6
95.08588	49.0
95.09199	1.5
97.02876	7.0
97.06512	16.3
97.10155	7.9
99.08054	2.1
103.05422	1.0
105.04481	2.3
105.07024	65.1
107.04935	15.2
107.08586	39.0
109.02865	1.5
109.06509	19.6
109.10149	27.5
111.04355	1.3
111.08055	5.6
112.08763	1.1
115.05479	1.5
117.06998	20.5
119.07719	1.5
119.08569	45.4
121.06483	5.7
121.10131	18.9
123.08051	9.8
123.11697	6.0
124.00239	0.9
125.09615	5.1
127.03876	1.1
128.06171	1.9
129.06987	20.7
131.08565	17.9
133.06485	2.1
133.10107	33.9
133.11026	1.7
133.63786	1.0
135.08058	5.5
135.11678	10.7
137.09621	2.6
139.07614	1.2
143.08545	13.3
144.84554	1.2
145.06491	2.1
145.10106	22.2
147.08038	5.5
147.11681	44.8
149.09601	10.4
149.13229	11.4
151.11191	1.9
153.09135	1.4
155.08521	1.3
157.10126	4.3
159.11661	12.8
161.09587	8.1
161.13226	15.3
163.11177	9.0
165.09145	1.8
165.12732	1.3
169.10117	1.7
171.11667	25.2
173.11647	4.4
173.13228	4.0
173.28313	1.3
175.11157	1.3
177.12738	4.3
179.14377	1.1
180.97282	1.0
189.12660	8.6
195.13882	2.7
207.13768	16.0
227.12756	6.7
229.14348	7.3
257.18954	5.1
269.17358	12.5
275.20020	22.6
281.17441	41.1
293.21063	1.3
299.99686	1.2
318.26727	1.5
327.05112	1.3
349.23633	12.6
367.24643	4.2
435.27350	33.2
457.29440	1.7
470.81442	1.3
475.30484	90.8
493.27972	1.6
497.32925	1.5
537.36115	2.6
555.36743	77.2
573.38098	32.1
591.34924	2.1
615.04187	1.3
619.34467	7.3
882.18433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	49.9
69.03412	7.4
69.07050	31.3
71.04961	5.6
73.02885	3.2
75.45834	3.1
77.74438	3.1
79.05488	70.8
79.82403	2.9
81.03399	29.4
81.07043	100.0
83.01317	6.2
83.04974	32.0
83.08614	29.0
85.02882	17.5
85.06539	6.6
91.03915	4.2
91.05461	57.1
93.07017	63.7
95.04929	33.9
95.08585	26.1
97.02857	4.6
97.06480	13.7
97.10144	24.4
100.37420	3.0
101.52389	3.2
105.07009	44.0
107.04959	33.9
107.08589	52.4
109.06503	18.2
109.10128	7.4
111.04417	16.5
111.08045	14.7
117.07000	30.2
119.08569	47.6
121.06463	14.2
121.10115	27.7
122.97813	3.3
123.08031	29.3
125.09602	23.5
129.06984	14.8
131.01320	3.4
131.08546	22.2
133.06508	5.0
133.10091	17.4
133.66013	3.8
135.08012	17.4
135.11697	30.8
137.09657	4.3
141.13268	3.7
143.08527	5.1
145.06435	4.3
145.10117	41.8
147.08023	20.4
147.11667	14.2
149.09615	4.7
151.11125	3.5
153.12726	6.8
155.17845	3.9
157.10158	6.1
159.11635	3.6
161.09592	17.0
163.11147	53.5
171.11615	3.8
173.09653	17.4
181.12239	13.3
189.11232	13.4
199.11261	3.9
200.06190	4.0
207.57111	3.3
227.12811	13.7
245.18958	4.8
273.18378	35.9
283.15399	62.6
285.40698	3.4
291.19501	65.8
309.20377	12.6
347.22034	5.5
358.96814	3.8
365.23148	37.0
383.24194	17.6
493.27127	5.0
545.34772	3.6
555.32697	27.4
573.34247	98.6
591.35101	88.3
781.90961	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	950.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	90.6
69.03419	15.0
69.07048	39.8
71.04990	7.1
73.02914	7.1
79.05475	86.1
79.05903	6.9
79.73734	3.3
81.03393	27.6
81.07040	88.4
83.01324	8.3
83.04957	19.8
83.08597	23.8
85.02883	21.4
91.03932	5.4
91.05465	84.1
92.43351	3.2
93.07021	100.0
95.04935	32.6
95.08591	47.5
97.02871	26.6
97.06506	14.6
97.10183	6.9
99.00797	7.4
105.07010	71.5
107.04946	23.7
107.08582	41.4
109.02851	7.4
109.06513	7.9
109.10172	27.6
109.10761	4.0
110.85793	4.1
111.04478	4.3
111.08054	5.5
115.05434	3.7
117.07001	23.9
119.08553	54.3
121.06472	13.3
121.10108	22.0
123.04426	5.5
123.08067	13.9
125.09568	4.7
127.03922	4.6
129.06981	8.2
131.08543	27.9
133.10114	52.4
135.07974	3.9
135.11647	16.6
137.09561	8.2
140.47815	4.0
143.08589	15.9
145.10080	31.1
147.08035	6.9
147.11668	17.6
149.09578	14.1
151.11124	5.7
157.10127	5.8
159.11687	7.2
161.09589	6.8
161.13284	7.0
163.11104	28.3
173.13223	5.3
191.39236	3.6
206.66634	3.6
259.20584	14.8
275.19962	22.7
283.15378	30.4
291.19519	7.5
299.14957	25.2
333.24365	4.6
347.29947	4.2
349.23709	22.1
365.23123	3.8
407.31699	3.6
413.33508	4.1
435.26993	3.7
437.25269	23.8
461.29224	5.1
463.26947	4.8
492.30212	4.4
493.27975	21.5
539.33582	7.4
541.34613	4.1
557.34753	46.9
575.35938	5.9
588.45142	5.4
591.35327	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	949.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	88.8
69.03068	4.2
69.03414	27.8
69.07052	40.2
71.04998	6.5
79.05487	74.4
81.03416	55.2
81.07043	100.0
83.04971	10.7
83.08625	10.8
85.02895	25.4
91.05468	86.4
93.07037	84.5
95.04951	25.4
95.08591	55.9
97.02872	29.9
97.06534	17.4
98.25607	4.6
99.04422	5.9
105.07020	89.4
107.04961	5.8
107.08564	48.9
109.02910	5.0
109.10164	22.3
114.07214	4.3
115.05447	5.8
117.07005	32.2
119.08558	51.7
121.10133	25.4
127.03920	7.4
128.06236	7.3
129.06975	35.8
131.08514	44.9
133.06567	5.0
133.10121	41.0
135.11671	9.1
141.07034	5.8
142.07733	8.7
143.08553	28.9
145.10138	34.6
147.08043	5.8
147.11697	23.3
149.09689	4.8
155.08562	21.8
157.10112	22.8
159.11691	24.7
161.09581	4.5
161.13284	10.1
163.14935	5.0
167.08562	5.3
168.09399	5.0
169.10081	17.7
171.11691	25.9
173.04448	20.3
173.13324	8.1
179.08569	5.2
181.10133	7.5
183.11722	19.4
185.13234	17.4
195.11739	10.2
197.13298	17.2
207.11777	4.6
209.13246	9.8
211.14874	6.6
221.13228	4.9
259.20523	7.9
269.17331	4.4
275.65030	4.3
285.21527	4.3
335.25986	4.6
413.21194	9.1
527.37158	38.4
545.38763	5.8
554.71771	5.1
607.43658	32.1
625.45117	36.5
653.39838	6.5
671.41125	18.7
689.42322	27.2
769.48267	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	949.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03422	14.8
69.07053	31.0
71.04975	3.8
71.11529	2.1
73.02884	3.9
77.63313	2.9
79.05479	54.9
80.17326	2.5
81.03399	27.4
81.07044	85.2
83.04967	11.3
83.08603	15.2
85.02911	21.7
85.06510	2.8
91.03973	3.6
91.05465	66.7
93.07024	70.5
95.04954	16.3
95.08590	53.1
96.08917	3.3
97.02872	12.0
97.06516	9.3
97.10127	12.3
99.04465	2.6
105.07015	51.3
107.04958	4.9
107.08580	35.0
109.06522	5.6
109.10149	60.7
110.10447	2.5
111.08073	5.0
117.06178	4.1
117.06973	29.2
119.08567	41.5
121.06409	3.3
121.10134	23.1
123.08106	2.9
128.06259	2.8
129.07005	20.0
131.08527	30.0
133.06543	3.7
133.10118	27.0
135.08051	2.6
135.11671	14.1
141.06898	9.6
141.87857	2.1
143.08525	17.0
145.04994	3.1
145.10124	27.5
147.08025	3.1
147.11690	16.0
149.09608	4.2
149.13251	4.7
155.08504	11.3
157.10123	16.1
159.11670	16.9
161.13191	5.3
164.52771	2.7
167.08601	3.5
169.10176	4.7
171.11667	12.9
173.04439	9.8
173.11736	3.5
173.13243	4.2
181.10106	4.5
183.11691	10.0
185.13286	6.0
187.11092	2.8
187.14729	3.2
195.11722	9.4
197.13272	9.2
199.14880	4.8
209.13321	5.1
211.14890	2.8
221.13272	3.2
229.14313	23.4
230.14722	3.4
239.18124	2.6
261.22128	4.5
275.20154	3.7
333.24069	3.2
335.25793	24.4
336.26077	10.5
489.35471	14.9
490.35919	12.7
527.37439	18.7
557.38202	3.0
558.38281	3.7
607.43701	25.7
625.44690	20.0
751.47156	3.4
769.48029	5.6
910.05573	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	949.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65414	1.9
67.05499	55.8
69.07052	28.3
70.47726	2.2
79.05473	51.8
81.03400	7.8
81.07034	44.4
81.75662	2.2
83.04962	10.1
83.08597	3.4
85.02943	2.4
91.05463	81.1
93.07027	53.3
95.01324	4.1
95.04935	11.9
95.08582	35.3
97.06522	19.4
97.10146	3.3
105.07016	100.0
107.04948	14.1
107.08583	23.4
107.38607	2.2
109.06513	3.2
109.10147	10.4
117.07011	23.5
119.08556	50.7
121.06500	2.8
121.10110	15.7
123.04427	2.4
123.08036	2.8
129.06982	9.1
131.08553	26.0
133.10112	48.2
135.08049	5.2
135.11649	11.5
137.09483	2.2
143.08508	7.4
145.10114	21.2
147.11679	20.5
149.09564	3.9
149.13281	4.1
155.08557	4.0
157.10112	8.1
159.11638	16.0
161.13242	15.2
163.11206	3.0
169.10062	2.4
171.11635	4.3
173.13214	4.1
175.11198	3.1
177.12665	2.2
179.14276	11.0
185.13243	2.9
186.53731	2.0
191.01561	2.5
191.04695	1.9
194.53967	2.0
232.29979	2.1
241.19478	13.9
242.64880	2.3
259.20477	16.6
275.20050	36.9
315.23074	8.2
333.24139	30.7
349.23825	20.9
352.44452	2.3
513.35199	2.5
607.34668	3.4
607.43585	73.3
625.44238	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	949.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	75.2
68.13361	4.8
69.03410	26.8
69.07071	34.3
69.07365	4.2
70.45868	4.8
71.04961	8.1
79.05477	84.7
81.03401	68.4
81.07044	100.0
83.04949	19.6
83.08592	19.7
83.71137	4.4
85.02886	23.8
85.06512	4.8
91.05453	88.3
92.09322	20.6
93.07022	81.7
95.04939	20.6
95.08575	49.3
97.02870	25.3
97.06487	5.3
99.04419	7.6
99.52345	5.1
105.07015	73.5
107.04940	10.0
107.08598	38.4
109.02863	8.7
109.10145	20.9
117.06984	36.8
119.08563	38.8
121.10146	21.6
127.03859	8.2
128.06184	5.5
129.07013	26.2
131.08559	59.2
133.10054	43.2
135.08038	8.7
135.11665	11.0
143.08588	35.1
145.10118	44.9
147.11661	19.6
149.09560	5.1
149.13199	9.2
155.08533	10.4
157.10118	24.0
159.11665	21.5
161.13184	8.0
164.70392	4.8
167.08578	5.7
167.82825	5.0
168.09247	5.5
169.10100	8.3
171.11665	25.7
173.04428	29.1
173.13161	8.7
183.11694	22.6
185.13272	6.8
187.14944	7.1
195.11728	5.7
199.14780	8.0
228.08992	5.5
259.20453	7.6
413.21622	5.9
435.32440	6.4
527.37384	47.0
545.38513	6.3
607.43134	20.8
625.44397	18.4
671.40894	22.2
688.26971	6.5
689.42352	19.4
848.65222	5.6
926.87854	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	948.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	49.5
69.03413	2.4
69.07057	17.9
71.04991	2.5
71.08615	41.5
73.02892	5.5
74.19798	1.1
79.05478	47.9
80.87585	1.2
81.03404	1.8
81.07040	47.6
83.08611	16.8
85.02895	21.3
85.06517	2.1
85.10165	22.7
89.06019	1.5
91.03947	12.3
91.05461	51.8
91.06000	2.2
92.09337	2.9
93.07026	46.6
95.04959	6.3
95.08590	49.7
97.02870	11.5
97.06470	1.5
97.10147	8.6
99.08098	1.6
105.07020	57.6
107.08581	25.1
109.06488	1.9
109.10143	15.2
117.06985	13.9
119.08559	44.6
121.10122	19.2
123.11696	8.8
127.03908	1.5
129.06978	9.2
131.08530	21.7
133.10109	42.3
135.11667	15.8
137.09590	1.6
137.87315	1.4
143.08536	12.9
145.10118	18.2
147.11670	31.2
149.09573	1.7
149.13263	8.5
155.08556	1.6
157.10120	7.3
159.11668	15.4
161.13243	23.2
163.06000	2.1
163.14766	1.8
171.11700	11.8
173.13234	11.0
175.14807	8.4
183.11783	1.4
185.13203	9.7
187.14790	2.5
199.14859	5.8
207.70723	1.4
213.16313	2.5
231.21133	2.5
239.23683	1.7
241.19466	22.5
257.24695	1.8
259.18372	1.5
259.20517	64.9
313.27325	97.2
314.27686	2.5
315.22961	2.8
333.24158	45.7
351.25128	1.9
488.77066	1.8
571.46777	16.9
584.27448	1.7
589.48175	100.0
590.48199	2.7
601.47943	2.9
613.48322	1.6
679.48285	6.9
697.49939	2.3
715.51129	3.0
733.51813	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	948.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	83.6
69.03425	16.9
69.07050	33.7
73.02881	3.7
74.57276	2.9
79.05042	6.4
79.05476	84.7
81.03407	23.0
81.07043	93.4
83.04965	20.3
83.08611	23.1
85.02887	24.3
91.03967	3.5
91.05463	61.5
93.07021	83.3
95.04951	39.8
95.08595	49.7
97.02863	8.1
97.06527	16.6
97.10165	16.7
99.08097	3.8
105.04524	3.4
105.07018	41.8
107.04944	29.3
107.08588	45.4
109.06490	6.9
109.10122	23.8
110.80573	3.2
111.08019	5.8
111.58414	3.2
117.06999	30.3
119.08562	34.8
121.06467	5.0
121.10133	17.0
123.08050	5.0
125.09615	17.2
128.06190	3.5
129.07022	6.9
131.08582	36.6
133.10115	26.2
135.11699	14.5
141.07019	8.0
143.08585	5.6
144.09279	4.2
145.10135	25.5
148.75079	3.9
149.09615	6.9
149.13243	16.4
157.10178	5.2
159.11700	23.0
163.11208	3.6
169.10104	4.2
177.12778	4.9
187.11166	5.5
189.11035	4.1
197.13187	4.6
223.13220	46.3
227.12917	11.7
229.14320	4.2
255.15884	3.8
269.17432	18.7
275.20056	13.4
279.15881	14.1
297.16891	43.5
349.23572	7.7
423.27118	5.9
473.28580	7.2
477.28430	19.3
491.29965	100.0
571.35901	27.4
589.37341	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	948.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	89.1
69.03421	5.4
69.07055	31.8
73.02907	6.0
75.34772	3.6
79.05479	94.6
81.03389	35.3
81.07036	84.0
83.04991	22.1
83.08607	23.0
85.02893	9.1
91.05472	63.6
93.07021	100.0
95.04967	37.4
95.08582	47.4
97.02880	16.5
97.06544	11.2
97.10170	23.3
105.00500	4.5
105.07001	60.2
107.04955	26.2
107.08588	56.2
109.06535	9.8
109.10142	42.1
117.07003	38.5
119.08511	34.4
121.06514	8.1
121.10160	20.1
123.11684	4.9
125.09628	19.4
125.82558	4.4
127.03866	5.3
129.06969	10.3
131.08575	30.0
133.10132	29.9
135.11638	8.9
137.09592	5.7
141.06947	7.7
143.04581	4.1
143.08582	9.8
145.10107	8.6
147.11717	5.4
148.04099	4.9
149.09679	8.7
149.13222	6.2
157.10092	6.0
159.06653	4.6
159.11620	17.8
163.11154	5.7
166.66942	4.2
169.10101	6.0
173.13261	4.9
177.12692	6.2
186.10608	4.6
187.11310	6.6
200.37866	4.6
205.12202	6.1
223.13261	63.5
227.12766	5.8
229.14334	9.4
269.17444	5.5
275.19998	19.8
297.17084	42.8
349.23770	8.4
423.27322	7.5
477.28433	10.3
491.29752	46.3
571.36456	34.5
589.35852	9.3
797.53339	5.3
941.36066	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	948.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	4.1
67.05492	100.0
69.03414	11.0
69.07053	36.5
70.65118	1.7
71.04974	4.8
73.02895	3.7
79.05476	91.0
81.03407	18.2
81.07036	73.9
81.07478	3.8
83.04956	19.4
83.08605	10.9
85.02901	4.9
85.06519	2.5
91.05466	92.4
93.07024	94.9
95.04948	43.6
95.08582	54.4
97.02871	12.7
97.06503	21.9
97.10141	4.0
103.05474	2.3
105.04497	2.5
105.07020	67.5
107.04937	15.9
107.08560	28.6
109.06503	10.9
109.10125	28.1
111.08079	2.4
111.50729	2.2
117.07004	19.6
119.08574	40.0
121.06490	4.7
121.10103	10.8
123.08046	3.4
125.09608	3.0
127.03907	2.3
129.06963	24.8
131.08575	18.7
133.06456	2.4
133.10110	21.9
135.11655	8.6
137.09586	4.9
143.08548	14.1
145.10115	24.8
147.08066	3.3
147.11665	37.4
149.09610	16.5
151.11133	2.3
157.10118	2.3
159.11658	9.0
161.09598	3.0
161.13208	14.4
163.11090	9.0
169.10039	2.8
171.11665	22.2
179.14236	3.2
189.12778	7.5
197.13245	3.3
207.13850	16.4
229.14293	9.4
247.20395	2.8
257.18918	4.7
273.18369	2.4
275.19983	19.8
281.17416	37.9
291.19641	3.6
349.23804	20.5
377.23022	2.6
435.27301	56.8
459.31232	2.6
475.30249	2.7
534.23718	2.5
555.36731	53.6
573.37665	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	946.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	12.8
69.07056	11.0
71.08606	5.7
79.05483	15.6
81.03401	2.0
81.07035	18.5
83.04962	2.8
83.08610	4.8
85.02866	1.2
85.10176	2.5
91.05464	19.6
91.67329	1.2
93.07029	11.2
95.01319	2.0
95.04950	2.2
95.08574	16.5
97.06498	6.0
97.10175	1.4
105.07011	25.4
107.04918	2.5
107.08584	5.6
109.06480	1.3
109.10117	6.0
117.07005	3.0
119.08577	12.3
121.10126	1.2
123.11636	1.3
127.54978	1.2
131.08556	8.7
133.10088	16.9
135.11711	2.7
137.09619	1.6
145.10071	5.8
147.11687	5.5
149.09604	2.6
159.08035	1.2
161.13271	1.5
164.68103	1.3
171.30615	1.3
172.16226	1.2
179.14265	4.9
190.44185	1.3
219.17343	5.1
275.20013	19.2
313.27304	23.5
349.23572	11.9
372.41147	1.4
375.28531	1.3
392.07913	1.2
407.82495	1.3
444.47470	1.3
450.43320	1.2
461.33615	2.9
481.18747	1.4
515.14893	1.4
587.46667	100.0
588.46783	1.7
917.83612	1.5
918.78406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6092
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34372	1.0
67.05500	13.1
69.07053	12.2
71.08611	6.1
79.05476	13.5
81.03432	1.2
81.06612	1.0
81.07047	21.7
83.04951	4.4
83.08601	4.8
85.10152	4.1
91.05458	22.2
93.07016	13.5
94.50902	1.1
95.01299	2.0
95.04939	1.7
95.08594	15.2
97.06526	7.5
97.10136	2.3
97.76801	1.2
104.34307	1.2
105.07021	28.3
107.04945	9.0
107.08590	8.9
109.10146	6.1
111.45687	1.0
117.07022	7.2
119.08577	14.3
121.10130	1.5
131.08543	9.8
133.10103	15.0
135.11702	4.3
145.06462	1.0
145.10118	7.1
147.11688	4.2
149.09618	5.1
159.11693	2.3
161.13206	1.8
176.07974	1.1
179.14230	3.7
219.17392	4.2
237.14653	1.1
275.20010	17.5
313.27274	25.3
319.07886	1.1
339.48547	1.1
349.23737	10.7
459.72729	1.3
587.46619	100.0
588.47040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.07053	19.6
70.25858	4.2
73.02880	5.3
75.24018	4.5
75.28958	3.9
76.56237	4.8
79.05479	71.1
81.07043	96.2
83.08594	7.8
85.02899	19.6
91.03947	9.5
91.05475	50.8
92.09319	5.1
93.07025	74.0
95.04921	9.4
95.08587	80.9
96.00453	4.3
97.02848	7.4
105.07039	37.4
107.08609	44.6
109.09459	4.3
109.10133	37.0
116.61173	4.3
117.07000	6.3
119.08568	23.1
121.10122	48.1
122.28633	5.0
128.30316	4.7
129.07043	4.6
131.08542	25.3
133.10156	16.0
135.11684	26.1
145.10101	23.9
147.11720	7.3
149.13289	6.8
159.11664	10.4
163.05959	6.1
168.34789	4.8
173.13322	6.0
180.48714	4.6
187.82957	4.6
247.20575	8.1
259.20706	4.5
261.22083	7.7
276.96628	4.5
321.24106	54.8
323.25940	4.8
335.25757	65.3
344.46771	5.1
443.41068	5.3
542.60699	5.3
581.45746	18.0
599.46130	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	0.3
68.99776	2.5
73.45792	0.2
79.23919	0.3
80.11719	0.3
81.03399	0.5
83.27800	0.2
85.02891	0.4
93.03366	0.4
95.04930	0.5
97.02863	0.4
107.01314	0.3
107.04926	1.4
108.63457	0.2
109.02854	0.4
111.00771	1.9
111.04405	0.6
115.05430	1.0
119.04902	1.1
121.02845	2.8
123.04404	8.4
127.03855	3.1
131.04895	0.9
133.02838	0.4
133.06451	0.3
135.04367	1.5
137.02322	16.0
137.03336	0.7
137.05902	0.3
139.03876	8.1
139.05455	0.3
141.06966	0.6
141.79826	0.2
143.04944	0.3
145.02844	1.3
145.06473	0.6
147.04382	6.8
149.02321	12.6
149.05948	0.5
151.03889	5.4
153.01808	6.4
153.06938	0.4
155.03369	2.8
155.04544	0.3
157.06450	1.3
159.04382	1.3
161.02206	0.3
161.05977	1.7
163.03871	11.2
165.01807	1.2
165.05406	0.5
167.03372	2.2
167.04817	0.5
169.06422	0.4
171.04391	1.4
173.02299	2.3
173.05913	1.8
175.03851	4.0
175.07410	0.3
177.01788	1.0
177.05446	1.2
179.03336	2.7
181.04959	0.4
181.06432	0.6
183.04369	1.0
185.05954	3.4
187.03864	3.6
189.01822	1.0
189.05414	2.8
191.03371	6.9
193.04933	1.0
197.05940	1.7
199.03859	1.9
199.07497	0.2
199.75632	0.2
201.01782	0.8
201.05482	2.2
203.03360	8.4
203.05132	0.4
203.06792	0.4
205.04955	1.5
207.02867	0.5
211.04022	0.3
211.07555	0.5
213.05449	6.7
215.03381	6.2
215.06836	0.4
217.04994	1.8
219.02779	2.4
221.04410	0.6
223.04005	0.5
225.05446	1.3
227.03342	1.5
227.06955	0.4
229.04916	5.2
231.03011	0.4
231.06477	11.3
233.04318	2.5
235.02357	1.0
237.03844	1.6
237.05658	1.0
239.03412	0.9
241.04904	5.6
242.05647	0.4
243.02861	2.4
243.06593	0.9
245.04338	5.1
247.05922	5.1
251.06993	0.3
253.04929	2.0
255.02850	0.3
255.06389	1.5
257.04382	18.8
258.05109	4.3
259.02689	0.4
259.05930	8.7
261.03851	0.5
265.04892	2.0
267.06491	0.9
268.03470	0.4
269.04398	14.5
270.05057	0.4
271.05844	2.7
273.03790	0.4
275.05307	1.9
277.05087	0.4
277.08456	0.3
279.06601	0.5
281.04401	3.7
282.05054	0.4
283.05902	3.0
285.03986	3.6
286.04675	1.1
287.05438	100.0
288.05710	2.3
289.06042	0.4
293.04468	1.8
295.02734	0.5
295.06009	2.0
297.03891	4.6
299.05402	6.5
303.04895	0.4
305.08145	0.4
307.05978	1.0
309.03885	1.6
309.07227	0.3
311.05338	4.7
313.03348	1.0
315.05399	0.4
319.05753	0.5
321.03772	0.6
323.05505	1.1
325.03253	0.6
327.04987	1.7
329.07602	0.4
331.05930	0.3
333.06873	1.0
335.05286	0.5
335.09149	0.3
337.03372	1.1
337.06909	1.0
339.04800	2.1
343.05621	0.6
344.06155	0.3
345.05954	2.1
349.06735	1.0
351.04791	0.4
357.06030	2.6
361.07031	3.0
363.07181	1.2
365.06592	1.2
369.06885	0.4
373.06720	1.4
375.07297	2.9
377.06406	1.5
385.07050	0.5
387.08643	0.4
389.06406	3.9
391.07904	1.6
393.05963	1.5
395.07684	2.4
401.06332	0.5
403.07999	1.3
405.05969	0.6
407.07352	1.0
409.09119	2.9
413.08676	4.9
415.08096	1.0
417.05920	3.7
419.07495	1.6
421.08975	1.5
425.08514	1.4
427.09793	0.4
429.05954	1.0
431.07431	1.9
435.06949	4.6
441.05923	1.1
443.07446	0.4
445.05124	0.3
445.36435	0.3
447.06863	2.0
449.08646	1.6
455.08191	0.3
459.07431	1.8
465.08176	0.6
469.05484	0.4
477.07993	1.2
481.07581	1.7
483.08948	0.6
485.10883	2.3
487.06256	1.6
493.08203	0.4
505.07748	3.3
523.08917	2.4
525.08075	1.0
526.11377	0.3
543.08813	2.9
557.10730	0.4
561.09668	1.2
567.09308	1.0
569.10358	1.1
579.50537	0.3
585.09418	1.8
587.11395	0.5
589.09717	0.5
595.08447	0.6
607.10681	10.3
613.09674	2.9
631.10651	4.0
643.10986	1.9
649.11682	1.6
661.11804	2.1
670.83435	0.3
695.13959	2.5
713.14789	3.5
733.11823	0.4
751.12549	0.4
769.13324	0.4
813.15900	1.6
919.07135	0.3
921.64807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.4
69.03441	2.5
73.02894	1.7
79.05499	1.2
81.03401	1.5
81.07042	5.1
85.02898	6.1
85.59061	1.2
85.79212	1.1
91.03957	2.5
91.05492	2.4
91.26250	1.1
93.07030	2.1
95.08609	4.5
97.02914	6.0
105.07016	1.7
115.68466	1.1
123.32117	1.3
124.41353	1.3
143.55855	1.2
198.59033	1.4
206.03038	1.4
210.64566	1.2
241.04987	1.6
243.08693	1.6
258.83005	1.3
400.31464	1.3
405.13953	6.1
497.30832	5.7
659.36273	8.5
681.34473	2.6
769.19995	1.5
811.03027	1.4
934.91089	1.6
937.58417	100.0
938.58118	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	938.532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.8
67.05495	90.5
69.07063	32.2
71.04981	4.9
73.02881	4.2
79.05476	78.1
80.71098	3.1
81.03387	7.5
81.07043	100.0
81.97909	3.1
83.04961	14.8
83.08619	17.8
85.02881	20.4
91.03934	16.1
91.05456	64.5
92.08659	9.4
92.63954	3.3
93.07029	92.4
95.04974	18.6
95.08585	66.4
97.02883	26.1
97.06510	11.6
97.10166	5.7
104.13948	2.9
105.07018	47.0
107.04937	14.1
107.08581	53.9
109.06506	14.9
109.10133	33.9
111.04414	23.0
117.06995	26.2
119.08566	36.3
121.06507	4.0
121.10127	45.8
123.08063	4.0
123.11707	5.8
129.06981	13.0
131.08549	37.4
133.10141	33.3
135.08046	5.6
135.11664	27.0
137.09604	4.9
137.13290	4.3
139.11121	5.9
143.08566	7.4
145.06454	3.2
145.10150	35.8
147.08058	3.0
147.11667	13.2
149.09567	7.6
149.13293	5.1
155.08580	4.2
157.10094	3.2
159.11685	21.4
161.13216	6.4
163.11162	16.6
171.11656	5.1
173.13248	13.7
185.13235	5.1
191.10672	6.1
209.11708	37.8
226.31044	3.1
227.12840	4.8
229.14304	4.1
241.14487	4.4
261.22040	6.0
283.15445	7.1
301.16495	16.6
301.21570	4.7
303.23123	7.1
335.25824	40.3
358.89844	4.2
436.14972	3.4
469.33264	5.1
487.33984	3.8
525.35736	10.3
543.36792	55.5
561.37732	98.0
579.38525	16.3
687.41632	3.5
766.73383	3.6
800.26978	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	937.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	8.7
69.03423	5.4
69.07076	2.3
71.01340	1.0
73.02915	4.6
79.05466	8.3
81.03419	4.2
81.07054	11.4
83.04988	1.6
83.08640	1.4
85.02899	9.2
86.82588	1.1
91.03967	2.1
91.05454	8.1
93.07030	9.8
95.04964	1.9
95.08616	4.4
97.02897	6.6
101.02419	1.5
105.07030	6.8
107.08669	3.6
107.84165	1.2
117.07001	1.3
119.08617	4.0
121.10174	2.1
127.03937	1.7
131.08585	1.7
133.10182	2.1
145.10144	1.9
147.11703	2.4
149.09648	1.4
171.11679	1.2
173.29675	1.0
180.61554	1.1
185.04355	1.1
243.08453	1.4
243.90176	0.9
281.57401	1.2
285.17316	1.1
298.20947	1.1
333.20407	1.6
347.09805	1.5
365.10260	1.4
405.13437	7.3
417.61755	1.2
462.88812	1.1
465.20834	8.8
551.28552	5.0
627.26569	4.7
713.33783	4.8
775.43073	2.0
937.47498	100.0
938.48334	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	937.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	8.2
68.63576	1.3
69.03424	5.9
69.07057	1.7
73.02886	3.3
76.56023	1.8
79.04910	1.3
79.05482	8.0
81.03410	3.2
81.07050	9.0
81.52280	1.5
85.02911	9.4
91.03905	1.6
91.05470	8.5
92.97219	1.6
93.07043	5.9
95.04961	2.1
95.08612	2.7
97.02885	7.8
105.07052	7.0
107.08564	2.9
117.07002	1.8
119.08522	2.1
135.11687	1.7
136.12062	1.5
140.39638	1.4
147.11739	1.8
152.65224	1.3
197.73299	1.6
201.00684	1.4
304.98068	1.5
347.09686	2.0
405.13718	6.5
465.20767	3.4
529.56500	1.5
551.28290	6.2
627.26483	6.3
713.33264	2.8
937.47424	100.0
938.48584	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	936.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.6
67.05492	82.4
69.03418	10.8
69.07048	26.8
71.04972	11.8
73.02910	4.9
78.17717	2.1
79.05476	88.0
81.03407	59.2
81.07044	87.9
83.04967	25.5
83.08600	26.7
85.02893	49.0
85.06551	2.7
91.03937	11.0
91.05466	100.0
93.07023	92.8
95.04942	44.9
95.08588	43.9
97.02859	17.2
97.06514	12.8
97.10166	8.9
99.04472	2.5
100.22587	2.2
101.96833	2.1
105.07018	89.1
107.04968	18.2
107.08570	40.1
109.06502	12.3
109.10151	14.7
111.08061	4.0
115.05428	4.8
116.04685	3.4
116.87692	3.0
117.06995	27.9
119.08567	70.1
121.06491	8.8
121.10130	25.3
123.08062	13.3
125.09607	9.9
127.03934	2.5
128.06221	3.0
129.05476	11.2
129.06999	25.5
131.08540	46.3
133.06479	3.2
133.10106	58.7
135.08038	3.1
135.11662	12.5
142.07813	4.8
143.08580	13.1
145.04907	3.6
145.10107	27.3
147.08047	4.8
147.11670	36.8
149.09602	13.4
149.13213	12.3
151.11151	3.0
155.08549	4.0
157.08830	3.1
157.10066	23.3
159.11682	19.2
161.13237	19.4
163.11154	10.3
171.11678	12.4
173.09557	3.0
173.13260	5.3
175.11156	11.2
185.13255	9.4
189.11191	3.7
191.14145	2.4
193.12218	38.8
197.13219	3.5
199.14810	3.7
211.13271	34.2
241.19495	9.5
259.20523	43.7
267.15808	18.8
269.17499	12.5
275.20016	12.0
283.15411	3.2
285.16928	41.6
291.19537	3.6
301.16397	5.6
333.24307	22.8
339.05569	2.4
349.23602	9.4
433.30310	3.1
461.28665	8.8
479.29773	20.1
519.33624	2.5
525.35712	23.7
541.34991	9.6
543.36676	40.2
559.36084	20.8
577.37030	4.9
871.68658	2.9
878.98517	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	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	2.4
65.52216	1.5
67.05494	81.9
69.03418	14.9
69.07054	28.2
71.04977	9.7
73.02901	7.7
79.05474	78.2
81.03403	67.7
81.07040	82.5
83.04967	27.3
83.08607	23.9
85.02894	46.3
85.06540	3.5
86.02647	1.7
91.03944	6.5
91.05466	100.0
93.07024	89.3
93.07629	2.3
95.04956	39.2
95.08589	44.2
97.02869	19.7
97.06541	13.8
97.10172	6.4
99.04445	1.9
99.08069	2.6
105.07017	89.3
107.04945	17.9
107.08581	43.3
108.08919	1.7
109.02853	2.6
109.06509	10.6
109.10145	17.0
111.04424	3.1
111.08077	9.8
115.05421	4.0
117.06998	29.3
119.08568	65.8
120.08816	2.1
121.06479	9.1
121.10115	31.0
123.08039	8.4
123.11681	3.5
125.09582	3.1
127.03923	3.1
128.06215	2.0
129.05501	3.5
129.06978	27.2
131.08553	45.6
133.06493	1.8
133.10118	49.7
135.08060	3.5
135.11659	17.3
137.09576	3.5
142.07741	3.4
143.08533	8.8
145.04980	3.3
145.10127	27.8
147.08025	9.3
147.11678	46.1
149.09621	12.9
149.13231	12.5
151.11145	2.6
155.08575	3.2
157.10091	24.0
159.11685	21.4
161.09610	2.2
161.13225	21.0
163.11154	6.9
169.10117	2.1
171.11674	15.3
173.13249	9.4
175.11115	13.7
175.14813	3.2
177.12769	3.4
183.05023	1.6
183.11681	2.4
185.13255	6.8
193.12199	35.9
197.13318	1.6
199.14932	5.8
201.12651	2.0
211.13272	33.7
223.14769	1.8
227.12767	2.4
229.14246	2.1
231.21095	2.8
239.17857	1.7
241.19455	10.7
259.20502	35.4
267.15845	17.5
269.17340	14.2
275.20023	12.9
283.15527	2.9
285.16956	42.2
315.23160	2.6
333.24222	20.6
342.64349	1.8
349.23737	9.4
433.30612	2.6
451.31595	3.0
461.28931	15.6
469.33133	2.3
479.29996	30.4
525.35803	19.5
541.35370	3.3
543.36688	62.2
559.36066	10.9
668.74237	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	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	4.6
67.05493	82.1
69.03434	17.9
69.07040	33.2
71.04987	6.6
73.02910	4.9
76.57291	4.0
77.42293	2.8
79.05482	100.0
81.03400	98.0
81.07040	100.0
83.04977	40.8
83.08594	35.1
84.07580	3.2
84.84006	2.9
85.02903	50.7
85.06561	4.2
91.03959	4.9
91.05465	99.7
93.07029	78.8
95.04951	52.3
95.08601	36.8
97.02895	19.6
97.06509	21.9
97.10158	16.2
99.04444	3.5
99.08111	3.1
105.07020	75.5
107.04948	23.8
107.08578	54.6
109.06519	15.2
109.10144	16.8
111.04463	4.8
111.08094	19.8
115.05437	3.3
117.07021	21.2
119.08561	60.6
121.06462	6.7
121.10098	26.9
122.90150	3.4
123.08053	7.2
123.11619	5.1
125.09615	6.6
129.06999	24.0
131.08539	37.2
133.06471	4.5
133.10120	51.0
135.08049	5.0
135.11713	14.9
142.07727	5.8
143.08563	4.2
145.10126	19.4
147.11708	33.6
149.09608	25.4
149.13263	5.2
153.79665	3.3
155.08499	4.1
157.10126	25.6
159.11694	18.2
163.11145	13.0
173.13327	5.4
175.11169	25.0
177.12663	4.3
193.12192	48.6
200.11732	3.3
211.13234	60.4
227.12724	6.7
253.14284	5.2
267.15979	25.4
269.17450	19.2
275.19797	26.5
285.16821	38.7
349.23682	22.0
447.27371	6.5
461.29099	26.3
465.28519	12.7
479.29987	75.7
524.32928	3.9
529.86188	3.4
541.35242	27.2
559.36432	62.6
571.38843	4.1
577.36707	7.9
742.82544	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	934.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	76.7
69.03394	3.1
69.07062	25.1
71.01350	3.5
71.04968	4.5
71.10571	3.0
73.02905	3.6
74.47216	2.7
77.01499	2.9
79.05477	71.3
81.03405	38.2
81.06605	4.1
81.07045	71.7
83.01326	3.4
83.04961	18.7
83.08601	19.1
85.02879	28.2
85.06519	3.2
85.12226	2.7
91.03905	3.8
91.05465	34.6
92.08729	3.6
93.07021	83.1
94.29812	3.3
95.04954	20.1
95.08577	52.6
97.02882	25.8
97.06490	15.4
97.10136	3.2
99.04500	4.0
105.07014	36.6
107.04926	24.2
107.08581	39.8
109.06490	12.8
109.10136	19.2
111.04437	39.9
111.08085	5.5
111.21368	3.8
117.07006	21.1
119.08570	28.9
121.06499	7.7
121.10145	34.6
123.08064	7.6
123.11717	4.1
125.05992	5.6
125.09639	3.5
129.06984	4.2
131.08536	26.1
133.10052	12.3
135.08043	3.5
135.11687	31.7
145.10126	47.0
147.08000	5.2
147.11714	6.3
149.13240	4.7
153.12752	12.4
155.08475	5.4
157.10150	3.9
159.11656	7.1
161.09607	4.2
161.15367	3.7
163.11176	45.8
168.86006	3.4
173.09557	8.3
181.12157	6.1
183.11798	4.3
191.10736	6.9
209.11682	16.2
223.13274	23.9
227.12737	5.5
241.14278	32.3
261.22083	3.9
283.15381	16.6
306.56870	3.6
315.18036	43.4
335.25757	87.1
451.32336	3.6
509.99741	4.2
525.35791	14.5
543.29053	5.9
543.36768	100.0
575.39343	74.4
609.44989	4.8
610.45270	7.2
737.26337	3.9
952.52094	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	934.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.0
67.05491	63.0
68.67056	1.2
69.03418	9.3
69.07053	22.2
71.04982	4.8
73.02895	2.9
77.03885	1.2
77.15775	1.2
79.05476	68.8
81.03403	17.9
81.07039	69.8
83.01340	2.7
83.04959	14.6
83.08605	23.4
85.02888	15.2
85.06544	4.8
91.03944	8.5
91.05462	98.4
93.07021	86.2
94.81370	1.1
95.04954	22.0
95.08585	36.6
97.02870	16.2
97.06487	12.8
97.10150	6.7
99.00797	24.1
99.04436	4.5
99.08072	2.0
103.05445	2.6
104.96035	1.0
105.07014	95.5
107.04931	17.0
107.08577	50.4
109.02844	14.6
109.06506	15.8
109.10135	20.2
111.04430	1.8
111.08074	6.5
115.03924	2.7
115.05450	1.3
117.07007	28.0
119.04926	1.3
119.07707	2.3
119.08562	70.0
121.06487	10.1
121.10123	27.1
123.04372	2.7
123.08041	7.2
123.11668	4.8
125.09586	4.5
127.03893	7.1
128.06216	5.9
129.05466	1.1
129.06993	15.8
130.07809	1.9
131.07550	1.1
131.08548	34.6
133.06476	5.1
133.10106	100.0
135.04396	1.2
135.08026	5.9
135.11667	22.9
137.05983	1.4
137.09601	5.2
139.07530	4.5
141.06985	2.4
142.07652	1.4
143.08536	19.9
145.10088	25.4
147.08081	2.1
147.11664	40.1
149.09599	5.1
149.13232	9.6
151.11142	15.3
153.07004	1.7
155.08534	1.6
157.10120	12.2
159.11667	17.4
161.09581	19.8
161.13239	20.9
163.05899	2.0
163.11172	14.3
169.10135	1.9
171.08049	6.6
171.11652	14.2
173.13242	9.2
175.14824	7.6
177.12639	1.5
179.10623	11.1
183.11708	1.9
185.13226	11.4
187.14803	1.8
187.39099	1.1
189.09142	8.6
197.11655	1.9
199.14838	5.6
207.10184	2.2
209.11598	1.9
218.15787	1.3
225.11217	11.2
227.12724	1.7
231.21060	6.6
241.19496	21.5
253.14226	1.4
255.15753	2.3
257.19083	1.5
259.20526	62.9
269.17316	7.9
275.20044	7.7
277.97418	1.1
281.13831	2.2
283.15302	20.9
284.15701	1.3
299.14847	52.3
313.21368	1.6
315.23148	1.5
329.97095	1.3
331.23102	1.3
333.24176	42.8
346.55286	1.4
349.23764	2.3
419.29648	1.3
437.30209	1.4
447.28815	1.8
459.27496	1.5
463.26663	9.1
465.29831	8.9
473.32651	1.3
477.28384	45.5
483.30649	6.7
511.34238	4.4
521.32312	2.1
529.35193	9.0
539.33545	38.2
541.35535	1.4
557.34650	65.7
558.34973	2.0
575.35687	23.8
701.38495	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	934.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	54.6
68.26261	1.2
69.03419	2.2
69.07048	14.1
71.01300	1.3
71.04963	6.5
73.02879	2.3
79.05476	51.2
81.03399	26.9
81.07040	51.8
81.41512	1.2
83.04956	10.6
83.08609	7.8
85.02885	14.8
85.06506	5.1
91.03930	2.4
91.05459	27.9
93.07023	57.6
95.04933	13.8
95.08588	32.9
96.17619	1.2
97.02854	12.3
97.06514	9.3
97.10138	5.0
99.04408	1.9
105.07018	20.2
107.04941	14.1
107.08576	30.2
109.06508	6.3
109.10137	12.0
111.04427	18.9
111.08073	5.1
113.05979	1.5
117.07011	15.7
119.07989	1.1
119.08578	20.0
121.06487	8.6
121.10126	22.4
123.07116	1.2
123.08044	7.4
123.11675	2.9
125.05965	7.3
125.09631	2.2
129.06952	3.3
131.08524	14.9
133.10100	7.7
135.08025	2.5
135.11688	21.4
137.09587	2.4
143.08551	1.8
145.06422	1.2
145.10121	23.9
147.08032	4.9
147.11682	3.3
149.09586	1.8
149.13190	2.1
153.12703	8.1
155.08519	3.1
157.10112	2.4
159.11667	2.9
161.13165	2.7
163.11137	22.4
173.09602	7.3
173.13225	2.0
174.13303	1.4
181.12248	5.4
191.10631	7.7
195.13774	1.4
209.11711	5.2
223.13287	16.5
227.12781	4.9
241.14331	12.7
261.21976	5.4
265.14319	6.3
283.15405	10.8
297.16968	1.6
312.81073	1.4
315.17969	24.9
327.47983	1.4
335.21890	2.5
335.25760	52.6
349.77966	1.5
433.31180	1.7
451.31973	2.7
525.35614	12.1
543.36725	68.2
557.94183	1.5
561.37671	3.1
575.39398	100.0
719.42151	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	934.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	81.7
69.03418	13.7
69.07050	30.6
71.04974	6.4
73.02897	5.8
79.05477	92.2
81.03393	22.8
81.06596	5.6
81.07037	86.9
83.01328	4.8
83.04964	21.2
83.08598	19.8
85.02892	26.8
91.03926	7.5
91.05462	72.6
92.05772	4.8
93.07020	100.0
95.04960	19.4
95.08597	37.2
97.02855	18.4
97.06503	15.2
97.10121	6.2
105.07021	81.7
107.04933	7.6
107.08585	36.5
109.02865	5.5
109.06523	9.1
109.10149	20.0
117.06992	43.0
119.08569	64.2
121.06520	8.9
121.10145	25.8
123.08040	12.9
125.09540	5.1
127.03851	5.2
129.06995	7.4
131.08534	27.9
133.10101	36.3
135.08040	5.7
135.11665	21.7
137.09671	4.0
143.08543	18.5
145.10095	34.2
147.08040	4.9
147.11671	24.2
149.09612	14.3
149.13220	5.7
157.10088	5.8
159.11688	15.1
161.13286	8.4
162.13766	4.4
163.11134	26.0
171.11626	14.8
173.13237	4.3
185.13158	9.0
193.99500	3.5
209.11684	5.8
215.57347	3.7
220.03561	3.5
227.12819	7.1
259.20456	27.0
269.17517	14.1
275.20074	9.0
283.15387	58.7
331.39035	4.0
333.24237	7.8
349.23666	5.1
404.82300	3.9
477.28357	38.7
489.28204	7.2
541.35339	51.1
557.34412	6.7
559.35974	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	934.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	3.3
67.05138	3.4
67.05491	68.8
69.03406	17.2
69.07050	40.1
70.43015	2.4
71.04948	8.2
73.02900	4.0
79.05474	84.9
81.03394	41.4
81.07040	99.6
83.01311	12.3
83.04974	25.8
83.08601	29.0
85.02885	31.6
85.06538	3.6
91.03935	2.6
91.05463	66.5
93.07016	81.5
95.04948	31.3
95.08578	46.6
97.02866	18.0
97.06501	14.3
97.10151	17.0
101.29442	2.2
103.05399	3.6
105.07013	56.0
107.04935	26.0
107.08575	58.3
109.02850	2.9
109.06498	22.3
109.10116	15.0
111.04397	3.4
111.08069	5.9
117.07006	30.3
119.08559	45.2
121.06476	11.3
121.10130	22.6
123.08017	14.8
125.06059	2.7
125.09621	4.6
127.03856	3.4
129.06966	12.6
131.08556	26.1
133.06468	3.3
133.10106	32.3
135.08037	14.0
135.11681	23.9
137.02325	3.1
137.09547	5.6
142.07739	2.5
143.08551	4.3
145.10115	43.0
147.11682	15.4
149.09590	12.8
149.13217	13.3
151.11154	3.7
155.08530	9.3
157.10132	11.8
159.11674	14.9
161.13167	4.0
163.11145	39.9
169.10007	2.2
173.13214	3.5
175.11092	3.5
177.12607	2.1
181.12187	3.8
189.11154	4.0
191.10620	3.8
193.12271	11.9
209.11746	5.5
211.13187	3.4
223.13332	9.9
227.12747	10.4
255.15797	5.4
267.15787	9.4
269.17380	17.1
273.18326	3.5
275.19901	21.5
283.15356	59.2
285.17035	9.2
291.19522	39.7
299.14996	3.4
333.24277	4.1
345.42407	2.6
349.23599	14.3
365.23062	10.3
463.26840	18.0
477.28406	100.0
517.31244	2.9
529.35388	2.7
539.33246	5.0
546.98193	2.8
557.34631	66.8
575.35492	52.4
871.41455	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	934.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	3.0
67.05145	2.7
67.05496	73.5
67.98462	1.7
68.05807	3.5
69.03414	9.9
69.07059	24.1
71.01317	2.0
71.04971	9.2
73.02890	8.5
79.05476	100.0
80.05802	3.7
81.03408	21.5
81.07039	79.5
82.07390	2.0
83.01314	9.7
83.04960	28.1
83.08601	23.1
83.12054	2.0
85.02887	29.8
91.03951	15.8
91.05462	90.9
93.07023	88.6
94.07359	3.8
95.04951	28.5
95.08580	38.9
97.02876	21.7
97.06507	13.4
97.10123	8.5
97.92574	1.8
99.04459	2.4
105.07020	85.1
106.07320	3.1
107.04945	13.1
107.08582	51.2
109.06539	13.0
109.10126	20.1
111.04429	3.5
111.08064	3.8
115.05393	3.1
117.06988	40.8
118.07363	1.9
119.08562	57.6
120.08882	1.8
121.06461	12.5
121.10136	27.0
121.44445	1.7
123.08025	10.5
125.09602	8.1
127.03873	8.9
128.06110	3.5
129.07011	14.3
131.08546	30.4
133.10106	35.4
135.08064	9.4
135.11679	24.1
137.09543	2.5
141.06949	3.5
142.07634	2.0
143.08530	16.6
145.04947	2.8
145.06500	3.2
145.10097	29.3
146.10437	2.5
147.08012	3.2
147.11679	30.2
148.11996	3.0
149.09604	7.5
149.13232	9.2
155.08537	3.8
157.10089	10.0
159.11700	15.3
161.09572	3.3
161.13237	11.3
163.11185	23.1
169.10014	2.8
171.11621	17.7
173.09569	3.2
173.13258	11.0
175.14783	3.1
177.12723	2.6
183.11670	4.2
185.13281	3.3
187.14742	2.1
189.11180	2.8
191.10609	2.4
197.13351	2.6
199.14862	2.4
204.83900	1.8
209.11626	3.8
223.13213	2.3
227.12759	8.2
229.14322	3.5
241.19518	4.1
257.19043	3.9
259.20523	28.9
260.20868	3.2
269.17432	9.6
275.19971	12.8
281.17535	3.8
283.15320	56.4
297.16766	3.1
297.21936	2.3
301.33459	2.0
333.24365	16.8
334.24249	2.5
349.23679	12.0
477.28308	42.2
523.34204	3.8
541.35144	34.8
555.36902	6.8
556.36896	13.8
557.36029	15.1
559.35944	12.3
574.37567	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	932.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	40.4
69.03400	1.9
69.07066	11.0
71.08624	28.4
71.78563	1.7
73.02895	6.6
79.05483	28.9
81.03391	2.6
81.06600	2.5
81.07040	46.6
83.08611	10.5
85.02888	21.5
85.06443	1.7
85.10174	16.9
90.54087	1.3
91.03947	10.5
91.05446	13.6
93.07014	34.4
93.38399	1.4
95.04959	2.2
95.08583	43.9
97.02872	8.6
97.10154	8.2
103.18842	1.5
105.07035	10.0
107.08590	21.1
109.10128	20.7
111.11723	1.6
117.06992	3.3
119.08565	9.0
121.10149	14.0
123.11674	8.0
131.08565	9.0
133.10112	6.9
135.11595	13.2
145.04913	2.3
145.10109	7.3
147.11696	2.9
149.13222	8.1
159.11678	3.2
161.13257	2.5
163.06013	3.5
163.14789	2.6
173.13257	2.3
239.23659	3.3
243.21027	3.5
257.24612	2.4
261.22034	24.4
313.27304	100.0
335.25732	53.4
335.32086	1.9
573.48773	40.0
591.49719	17.0
798.09088	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	933.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.8
67.05494	18.3
67.05849	0.7
69.03416	10.2
69.07056	8.1
69.26179	0.3
71.01339	1.8
71.04987	0.8
71.08625	0.5
73.02901	8.5
75.51172	0.3
79.05475	12.5
81.03406	4.6
81.07038	19.7
81.89252	0.3
83.04957	1.7
83.08605	5.2
85.02891	20.3
85.06505	0.7
87.04465	0.6
88.36967	0.3
91.03934	11.1
91.05460	14.7
91.06000	0.7
93.07024	15.5
95.04977	2.6
95.08585	15.8
95.09193	0.5
97.02871	18.7
97.06522	1.8
97.10152	2.4
99.04443	2.5
99.08105	0.3
101.02356	3.6
103.05469	0.5
105.07015	14.8
107.04949	0.5
107.08583	9.8
109.02888	1.8
109.06515	1.9
109.10147	5.6
111.04411	0.5
112.47838	0.4
113.06057	0.4
113.17189	0.4
113.28608	0.4
115.03915	0.8
115.05473	1.5
117.06995	7.6
119.07711	0.7
119.08562	13.0
121.06493	0.5
121.10118	7.1
123.04375	0.3
123.08080	0.6
123.11695	2.3
125.09612	0.6
127.03896	4.6
128.06175	2.5
129.05486	0.5
129.06987	10.1
130.07848	0.3
131.08546	12.7
133.10109	7.9
135.08043	0.4
135.11676	4.1
137.13287	0.5
141.06961	5.3
142.07811	3.0
143.08542	13.2
145.04974	1.6
145.06482	0.4
145.10109	12.4
146.10574	0.3
147.11670	4.1
149.13307	1.3
153.07045	0.6
154.07809	0.7
155.08533	11.3
156.09335	1.7
157.10109	12.2
159.11661	9.4
161.13214	2.6
163.06067	0.6
163.07649	0.4
165.07034	1.6
166.07776	0.6
167.08548	5.3
168.09346	1.8
169.10098	13.7
170.10860	0.7
171.11655	12.2
173.09775	0.4
173.13219	5.0
175.14851	1.6
179.08476	4.0
180.09293	0.8
181.10086	7.9
182.10930	1.8
183.11655	13.9
183.13165	0.5
184.12488	0.4
185.09592	0.4
185.13194	7.9
187.14790	3.3
189.16368	0.7
193.10048	2.9
194.10873	1.5
195.11659	10.4
196.12433	0.5
197.13216	10.6
197.14882	0.5
199.14816	5.6
201.16400	1.5
203.08488	0.4
205.10110	0.7
206.10873	0.5
207.11652	4.8
208.12669	0.4
209.13240	7.3
209.15038	0.4
210.14075	0.5
211.14796	6.9
213.16324	2.8
215.17924	0.5
219.11708	1.8
221.13234	3.2
223.14778	5.3
225.16350	3.8
227.17993	2.3
233.13289	0.8
235.14836	2.2
237.16388	3.5
239.17992	1.9
241.19658	0.5
247.14796	1.3
249.16377	2.5
251.17868	2.0
253.19540	2.0
261.16345	0.6
263.18008	1.6
265.19516	1.3
277.19571	0.5
279.21005	0.4
281.18988	0.4
283.20581	0.5
291.21152	0.4
297.18738	0.4
297.21991	0.7
298.76123	0.4
306.77335	0.4
307.20648	0.5
310.58203	0.3
313.21609	0.4
313.25128	0.4
321.22247	0.4
323.23581	0.7
325.21774	0.5
327.23309	0.4
337.25241	1.3
339.27505	0.5
349.25162	0.4
351.26837	1.5
358.54691	0.3
361.25342	0.5
363.26889	0.5
365.28409	1.3
409.31235	0.5
421.31110	0.4
447.32260	0.5
475.34479	0.4
499.39832	0.5
501.35672	0.7
517.40503	4.5
535.41193	2.3
539.37256	1.8
541.39392	0.6
553.38708	0.4
573.43146	0.8
591.43958	7.3
607.43115	2.7
609.45050	100.0
610.45081	3.7
611.46979	0.6
621.45099	2.1
633.44629	0.6
651.46057	1.8
658.38293	0.5
663.45807	0.6
675.45782	0.7
699.45856	1.4
717.46857	1.8
735.48059	2.2
753.49335	3.6
771.50299	22.6
772.50488	1.4
933.55566	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	932.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.7
67.05498	45.2
67.05862	3.0
69.03416	3.1
69.07054	13.1
71.04982	3.4
79.05478	76.2
81.03394	8.9
81.07041	46.4
83.04973	17.1
83.08594	12.2
85.02888	8.8
91.05465	59.3
93.07023	64.1
95.04951	21.2
95.08591	27.2
97.02853	3.4
97.06526	11.8
97.10149	23.0
105.04564	2.1
105.06356	3.5
105.07011	56.6
107.04947	11.7
107.08582	47.9
107.52330	1.7
109.06519	9.8
109.10152	9.0
114.79086	1.7
115.05469	1.8
117.06998	15.8
119.08549	34.8
121.06479	1.8
121.10134	10.3
123.08058	3.3
123.69531	1.9
125.09586	19.4
127.03840	1.9
129.06989	11.4
131.08542	10.3
133.10104	17.2
135.07977	2.4
135.11719	3.7
143.08528	10.6
145.10089	18.3
147.11667	33.2
149.09642	8.3
155.08517	2.1
157.10170	3.0
159.11638	3.4
161.09528	2.9
161.13248	8.6
163.11227	2.3
169.62613	1.9
171.10393	2.8
171.11658	21.8
189.09477	1.9
189.11194	13.0
189.12721	3.6
202.73936	1.7
207.13792	11.3
212.02074	1.7
227.12747	29.0
239.17906	2.0
257.19055	2.5
275.19983	26.2
281.17426	33.2
291.19260	2.2
331.22525	2.7
349.23862	18.7
358.92154	2.0
451.26825	18.7
537.35944	7.2
555.36707	100.0
556.36652	3.3
573.38263	12.5
583.13873	2.0
907.83356	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.9
67.05492	96.9
69.03421	7.9
69.07055	28.3
71.04966	4.3
73.02904	7.7
79.05478	97.3
81.03403	14.3
81.07037	93.7
83.04980	11.3
83.08593	14.2
85.02892	22.1
86.05725	1.9
91.03934	9.2
91.05462	97.8
93.07021	87.1
95.04950	29.9
95.08586	51.6
97.02892	10.7
97.06519	7.5
97.10149	12.9
103.05456	4.3
105.04501	3.1
105.07011	100.0
107.04989	13.4
107.08585	45.3
109.06512	10.5
109.10136	38.4
111.08035	3.7
115.05453	2.5
117.06993	43.6
119.08558	72.7
121.06493	8.1
121.10120	23.9
123.08035	2.9
123.11645	2.2
125.09616	9.5
125.65279	1.8
127.03934	2.2
128.06210	11.4
129.06972	30.9
131.08528	50.1
133.10120	44.1
135.08009	8.9
135.11678	17.2
137.09607	3.0
141.06969	11.8
142.07761	8.0
143.08554	29.8
145.04965	2.0
145.06456	3.5
145.10097	38.0
147.08052	3.1
147.11670	40.6
149.09636	9.4
149.13234	7.6
151.11142	2.0
155.08569	12.2
157.10086	20.5
159.08009	2.9
159.11656	28.1
161.09581	3.6
161.13245	14.7
163.11244	2.7
167.08511	3.7
169.10112	17.2
171.11687	20.6
173.11845	4.5
173.13251	17.6
175.14848	2.5
181.10121	4.3
183.11700	11.6
185.13173	16.7
187.11137	2.8
187.14792	2.1
193.10153	2.5
195.11694	7.8
197.13232	8.0
199.14851	7.5
207.11647	3.8
211.14890	3.9
217.26024	1.8
221.13197	2.2
223.13162	30.1
227.12759	4.3
229.14381	21.1
231.21013	2.0
241.19550	14.7
249.16174	2.1
257.18884	7.3
259.20471	30.1
275.20096	7.6
281.17352	14.4
297.16827	18.2
309.22165	4.2
315.23148	2.6
327.23065	3.1
333.24246	20.4
349.24194	2.3
401.26379	1.9
433.49347	1.8
435.32846	2.1
445.30984	8.9
463.31812	7.5
481.32669	2.8
487.34363	2.6
505.34988	3.9
519.35028	2.5
527.37231	8.6
537.35632	20.2
542.93524	2.5
551.06830	1.9
555.36707	82.2
573.38031	24.3
717.41382	3.4
870.95319	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	932.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.4
67.05493	69.2
69.03419	5.6
69.07053	26.5
71.04974	4.6
73.02900	1.7
79.05476	94.7
80.05807	0.9
81.03402	16.8
81.07040	79.7
83.04523	1.0
83.04970	19.3
83.08608	13.8
85.02895	8.5
85.06508	3.9
91.03925	2.8
91.05461	73.6
92.64228	0.7
93.07024	93.7
94.07359	0.9
95.04947	28.7
95.08585	36.8
97.02858	6.4
97.06510	16.2
97.10134	6.2
99.04456	0.9
99.08065	1.1
103.05424	1.4
105.04542	1.2
105.07015	61.1
107.04933	14.5
107.08578	36.3
109.02888	1.3
109.06517	9.1
109.09489	0.8
109.10154	13.1
111.08063	4.7
113.09644	0.8
115.05475	1.3
116.06242	1.0
117.06232	1.1
117.07002	18.8
119.08560	40.8
121.06528	5.4
121.10128	14.2
123.08058	5.8
123.11683	3.3
125.09596	4.7
127.03879	1.6
127.07536	1.0
128.06216	3.1
129.06976	19.8
130.07756	1.4
131.08537	18.5
133.06496	1.5
133.10109	25.1
135.08017	3.9
135.11681	12.1
137.09605	0.9
139.11163	1.0
141.06975	1.5
143.08549	11.4
145.04939	0.7
145.10110	19.7
147.08055	2.8
147.11676	35.6
149.09616	11.4
149.13211	7.3
151.11128	1.3
155.08475	1.6
156.09296	1.5
157.10100	3.6
159.11682	10.1
161.09642	5.2
161.13231	12.8
163.11163	7.8
165.12657	0.9
169.10063	1.5
171.10297	1.1
171.11661	22.4
173.04402	1.0
173.13246	4.9
175.11038	1.2
177.12679	3.0
179.14198	0.8
183.11644	1.3
189.11174	1.6
189.12735	6.3
195.13742	1.5
197.13193	1.2
207.13762	16.1
211.14929	0.9
225.14851	1.0
227.12708	4.4
239.17863	0.7
247.20607	1.0
255.15800	3.6
257.18967	5.5
269.17441	8.4
275.20001	20.0
279.15936	1.6
281.17426	47.2
281.20514	1.7
293.20880	0.9
331.22556	1.0
349.23694	14.4
386.11212	0.9
435.27316	3.7
451.26785	3.3
457.29068	1.1
459.30597	0.9
461.28918	25.2
475.30469	100.0
476.30731	2.9
537.35602	2.8
555.36713	56.1
556.37024	2.7
573.37878	12.8
595.30579	1.2
619.34314	4.7
699.40204	1.6
841.43079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.8
67.05138	3.8
67.05496	77.3
69.03421	7.6
69.07063	23.7
71.04963	3.9
72.83849	2.5
75.19665	1.6
77.03928	1.7
79.05480	95.5
81.03407	17.5
81.07045	84.8
83.04970	20.3
83.08611	18.3
85.02888	9.8
91.05469	81.9
91.06006	4.0
93.07033	100.0
93.84972	1.9
95.04951	25.5
95.08595	49.1
97.02859	7.9
97.06525	16.4
97.10160	4.5
105.07019	69.6
107.04956	13.6
107.08588	38.0
109.06511	11.7
109.10148	11.5
111.04514	2.0
111.08102	2.6
117.07004	27.6
119.08578	46.2
121.06506	4.9
121.10168	16.0
122.32113	1.8
123.08067	8.7
125.09546	2.8
126.75391	1.9
129.07001	19.0
130.07831	2.0
131.08582	24.7
133.06427	2.8
133.10127	29.5
135.08049	3.7
135.11690	11.7
141.07025	2.5
143.08537	15.4
145.10133	29.3
147.08101	3.8
147.11681	36.0
149.09549	7.1
149.13254	4.7
151.11163	2.8
155.08638	3.0
159.11674	9.4
161.09644	4.1
161.13223	9.5
163.11150	7.5
169.10110	3.8
171.11639	20.0
173.13264	2.8
189.12769	4.3
195.13820	2.1
197.13170	2.3
207.13828	10.9
257.18933	3.5
269.17465	10.8
273.18515	2.6
275.20038	18.4
281.17432	40.6
291.19501	15.3
349.23599	10.7
356.74823	2.3
365.23413	2.6
367.24765	3.0
461.28885	25.3
462.73749	2.0
475.30548	92.8
493.27737	2.8
534.99323	2.7
537.35681	2.6
555.36755	56.7
573.33655	23.0
608.43280	2.8
902.34485	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	932.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.8
67.05492	45.8
68.05833	0.7
69.03415	4.3
69.07053	17.5
71.04964	2.0
73.02887	1.0
77.03859	0.6
79.05475	63.4
81.03397	10.2
81.07037	55.8
83.04963	12.2
83.08599	7.2
85.02898	4.7
85.06538	3.1
91.03933	2.3
91.05461	48.9
93.07021	60.7
95.04948	18.3
95.08582	28.0
97.02866	3.3
97.06511	9.3
97.10144	4.6
99.04439	0.7
99.08047	1.9
103.05473	0.6
105.04487	0.8
105.07013	36.6
107.04945	8.8
107.08580	24.7
109.02844	0.9
109.06501	6.6
109.10139	7.9
109.31926	0.6
111.04428	1.0
111.08054	2.4
113.09633	0.6
115.05454	2.2
117.06996	12.4
119.08563	25.0
121.06448	3.9
121.10132	10.5
123.08046	5.8
123.11687	2.2
123.51582	0.6
125.05920	0.6
125.09622	2.6
127.03889	1.0
127.07603	0.7
128.06221	1.9
129.06981	13.5
130.07761	1.0
131.08533	14.2
133.06444	1.2
133.10106	16.6
135.08044	3.0
135.11659	8.1
137.09543	1.0
137.84438	0.6
139.11119	0.6
141.06953	0.9
142.07738	0.7
143.08551	9.1
145.06487	0.6
145.10115	12.7
147.08058	2.2
147.11667	21.7
149.09578	5.9
149.13208	7.2
151.11089	1.1
155.08528	1.0
157.10088	2.5
159.11668	6.6
161.08366	0.5
161.09637	3.6
161.13226	8.5
163.11115	5.4
169.10075	2.0
171.10281	1.1
171.11646	13.8
173.13226	2.6
177.12727	2.2
179.14267	0.7
181.10008	0.6
183.11705	0.7
187.11128	0.6
189.11192	1.2
189.12738	4.7
191.19870	0.6
195.13811	3.2
197.13326	0.7
207.13777	8.3
227.12746	1.0
229.19376	0.8
239.17827	0.8
247.20364	0.7
253.14310	0.7
255.15921	2.8
257.19025	2.5
263.54279	0.5
269.17395	10.7
275.20007	10.7
279.15955	0.5
281.17426	24.0
349.23688	6.4
367.24756	1.1
413.21613	0.6
435.27182	2.1
451.26761	0.7
457.29742	1.1
461.28888	19.6
475.30472	100.0
476.30667	2.9
527.37341	0.7
531.96588	0.7
537.35468	2.3
555.36798	25.5
573.38043	8.6
613.15137	0.6
619.34900	4.3
699.41455	0.6
717.42188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	4.4
67.05494	68.1
68.05811	0.7
69.03417	6.3
69.07054	25.0
71.01359	0.8
71.04990	4.9
72.93179	0.6
73.02892	3.2
73.06533	1.0
77.03909	0.9
79.05478	100.0
80.05811	1.0
81.03401	16.9
81.07040	77.6
82.07357	1.0
83.04967	18.6
83.08604	12.1
85.02891	10.3
85.06520	4.3
91.03951	4.7
91.05463	99.9
92.05773	1.1
93.07025	97.8
95.04948	28.7
95.08585	44.2
95.09486	0.7
97.02866	8.6
97.06518	10.9
97.10139	5.6
99.04457	1.0
99.08065	2.8
99.89175	0.7
103.05446	3.4
103.60879	0.7
105.04516	3.4
105.07017	84.5
106.07346	1.5
107.04939	9.6
107.08582	38.6
108.08906	0.6
109.02843	1.3
109.06519	8.6
109.10147	13.9
111.08039	4.5
115.05429	3.5
117.06999	27.7
119.08562	60.1
121.06470	6.0
121.10125	17.1
123.08031	6.4
123.11722	2.6
125.06010	0.7
125.09605	0.7
127.03934	1.1
127.07516	0.8
128.06192	5.0
129.06989	26.0
130.07828	2.4
131.08543	23.1
133.06473	1.1
133.10109	35.9
134.10480	0.8
135.08060	3.2
135.11655	11.8
137.65588	0.7
139.11183	0.8
141.06934	2.5
142.07785	1.3
143.08543	19.3
145.04979	0.7
145.06488	1.0
145.10107	22.9
147.08063	4.0
147.11668	49.0
149.09581	7.6
149.13246	9.8
150.99544	0.8
151.11099	1.3
155.08543	3.2
156.09283	1.4
157.10130	7.2
159.08081	0.7
159.11679	14.2
161.09602	2.9
161.13219	20.1
163.11169	3.8
164.70244	0.7
167.08537	0.8
169.10094	3.0
171.11665	26.7
173.04468	0.8
173.11896	1.1
173.13167	6.9
175.11163	1.0
175.14792	5.7
177.12750	2.6
179.14268	1.5
183.11678	2.7
183.69470	0.7
185.13251	6.0
187.14816	2.5
189.12686	8.5
189.16362	0.8
195.11671	0.7
195.13699	1.1
197.13261	1.2
199.14795	3.6
207.13765	14.8
217.15913	1.0
225.14909	0.8
227.12711	0.7
231.21255	1.3
239.17966	1.2
241.19516	9.1
253.14192	1.5
257.18915	4.3
259.20529	23.2
259.23236	0.8
269.17435	12.2
275.19952	7.6
279.15860	7.0
281.17407	45.8
282.17902	0.7
292.19684	0.8
293.21027	1.1
333.24142	12.3
349.23712	6.7
435.27292	1.2
447.32297	3.4
463.51456	0.7
465.33591	2.5
475.30484	57.2
476.30881	1.0
521.36456	1.3
529.39093	0.9
539.37225	38.1
553.34637	1.0
554.35522	0.9
555.36676	15.9
557.38312	16.0
571.36151	0.9
572.36237	3.9
573.36523	3.8
735.29169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	57.6
68.30529	3.0
69.07070	6.4
70.18509	3.0
71.08625	27.7
73.02886	4.6
79.05476	4.9
81.03408	7.3
81.07042	34.2
83.08599	8.2
85.02892	7.8
85.10179	19.9
91.05469	18.7
92.09280	5.3
93.07050	16.7
95.08580	24.7
105.06972	4.5
107.08576	5.1
109.10152	65.5
119.08546	6.8
120.17392	3.2
131.08598	3.6
148.68539	3.8
173.11717	6.8
195.41574	3.7
223.13351	5.5
229.14363	48.4
253.53258	4.1
272.94403	4.0
287.98148	3.5
297.16919	20.2
313.27304	100.0
467.37286	75.7
535.39838	15.4
755.76569	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	930.505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.8
67.05494	32.2
69.03409	5.2
69.06709	1.1
69.07055	17.8
71.04974	1.6
73.02895	1.0
79.05476	39.5
81.03403	7.4
81.07039	28.2
83.04968	9.7
83.08593	5.8
84.39281	0.6
85.02894	4.2
85.06525	1.4
91.03934	1.1
91.05464	36.7
93.07024	37.3
95.04951	16.9
95.08588	15.7
97.02893	7.7
97.06506	4.7
97.10139	7.8
105.07010	26.8
107.04931	8.3
107.08572	16.2
109.02868	0.6
109.06504	4.7
109.10143	5.6
111.08061	0.9
115.05434	1.0
117.06988	7.8
119.04996	0.7
119.08562	19.1
121.06499	4.1
121.10147	3.4
123.08063	3.6
125.09595	4.7
125.56778	0.6
128.06221	2.7
129.06987	9.8
131.08582	6.1
133.06497	3.1
133.10104	11.1
134.07298	1.0
135.08038	1.3
135.11681	2.8
137.09613	0.7
137.81404	0.6
143.08557	7.5
145.10092	6.2
147.08076	5.1
147.11664	15.4
151.11131	1.1
157.10109	1.0
159.08063	0.7
159.11671	2.6
161.09610	2.4
161.13266	3.3
162.10307	0.8
163.11055	0.9
171.11604	9.7
175.11192	1.2
177.12813	0.8
189.11249	1.3
189.12764	3.0
205.12273	0.9
207.13754	6.1
223.13211	10.7
225.14799	0.7
227.12646	0.7
249.14861	3.0
253.14215	1.1
273.18411	8.5
281.17429	28.7
291.19482	51.8
336.16986	0.7
347.22055	2.6
365.23163	16.6
381.88470	0.6
434.83154	0.7
451.26648	0.8
473.28906	2.3
477.28506	0.9
491.29755	1.2
553.35229	5.1
571.36200	100.0
572.36334	1.1
589.37140	1.3
899.04102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95446	0.4
68.99777	2.6
88.57532	0.5
91.05475	1.0
93.68828	0.5
103.05397	0.5
107.04941	3.9
111.00791	1.3
111.04408	0.8
111.96413	0.5
119.04932	2.3
121.02848	17.0
123.04425	7.2
124.07553	1.0
127.03902	3.1
131.04932	0.9
135.04430	2.1
137.02277	1.2
139.03876	7.1
141.06918	0.6
142.61545	0.5
145.02852	1.0
145.06459	2.0
147.04381	7.5
149.02328	11.0
151.03868	4.1
153.01837	6.8
153.05367	0.5
155.03394	1.2
159.04431	2.1
163.03870	10.2
165.05510	0.8
167.03310	2.0
169.06468	2.3
173.02289	2.1
173.05978	4.0
175.03896	1.3
177.01785	0.6
177.05434	0.8
179.03391	1.2
181.06454	0.6
183.04410	0.7
185.05936	1.1
187.03889	5.8
187.07581	1.0
189.05611	0.6
191.03383	6.3
197.05963	2.8
201.05479	2.9
203.03389	1.2
213.05421	2.4
215.03479	5.0
215.06998	13.5
219.02908	2.4
225.05457	2.5
227.03323	0.8
229.04970	4.9
231.06503	8.9
233.04442	2.3
237.03793	0.9
239.06963	1.1
241.04948	4.0
242.05737	3.4
243.02733	1.0
243.06433	7.4
245.04436	2.9
253.04926	5.0
255.06429	2.6
257.04388	14.1
259.05872	0.9
261.03891	0.8
265.04874	2.3
267.06531	0.7
269.04477	9.5
270.05048	0.7
271.05954	100.0
272.06265	2.2
275.05356	2.5
281.04382	2.0
283.05945	6.1
285.03897	3.0
287.05554	2.8
293.04367	2.6
293.08090	0.5
295.05853	3.8
297.03763	2.9
299.05585	2.3
309.03986	1.3
311.05569	3.6
313.03625	0.7
315.05017	1.0
317.08063	0.9
321.04010	0.7
321.07578	0.7
323.05389	0.8
333.07330	1.0
339.04953	1.0
345.06641	2.5
349.07111	0.9
357.06186	2.6
361.06818	2.1
369.07358	0.9
371.09283	0.7
373.07001	4.2
375.07196	4.1
379.07870	2.7
387.08453	1.3
391.07819	1.2
397.08804	3.5
399.08569	0.6
401.06555	3.1
403.08182	1.1
409.09106	3.4
415.07910	2.1
419.07416	5.7
421.08801	0.8
431.07822	0.9
443.07507	0.9
465.07861	0.6
467.08981	0.9
471.06781	1.0
485.10660	2.4
489.08069	2.5
507.09186	2.1
509.08667	1.2
527.09698	2.4
545.10834	0.9
548.73206	0.6
553.10889	0.6
569.10901	0.7
573.10114	0.7
591.11322	12.4
597.09656	2.8
615.11407	2.6
627.10803	1.0
633.12189	1.0
645.11902	3.4
679.14240	1.2
697.14679	3.6
797.17114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68374	0.8
68.99789	3.6
75.43449	0.7
97.46187	0.8
100.70676	0.8
107.04916	3.0
111.00800	1.5
119.04910	1.8
121.02856	19.6
123.04384	7.5
124.07559	1.5
127.03911	1.0
131.04872	1.0
133.02789	0.8
135.04375	3.0
139.03885	6.2
145.06480	0.9
147.04391	9.7
149.02342	12.2
151.03897	5.8
153.01840	4.3
155.03333	1.4
157.06609	1.0
159.04427	1.1
163.03883	8.9
167.03412	1.6
169.06450	1.5
173.02289	1.1
173.05960	3.8
175.03838	1.2
177.05432	1.2
179.03358	1.6
185.05977	1.3
187.03940	4.8
191.03410	5.1
193.04889	0.9
197.05858	1.5
201.05400	3.2
203.03410	1.2
211.03801	0.9
213.05426	3.3
215.03416	4.3
215.07013	13.6
219.02861	0.9
225.05504	3.5
227.06863	1.1
229.04903	3.3
231.06441	8.1
233.04356	1.4
241.04915	4.4
242.05840	3.3
243.02861	1.5
243.06464	7.8
245.04359	1.2
253.04892	5.4
255.06496	1.3
257.04446	16.7
259.05969	1.0
265.04980	3.5
269.04413	8.3
270.05206	0.9
271.05951	100.0
272.06158	1.2
275.05569	3.5
281.04431	1.4
283.05923	4.8
285.03961	1.9
287.05298	3.5
295.06030	4.0
297.03967	1.5
299.05502	1.8
307.05707	1.0
311.05557	4.3
317.08105	1.1
327.04926	1.2
339.05209	1.0
345.06976	1.7
357.06345	1.3
361.07083	1.2
363.07703	1.2
369.07159	1.1
371.09192	1.1
373.06937	4.2
379.07892	4.1
387.08582	1.4
397.09293	6.0
399.08713	0.9
401.06244	1.4
409.09009	4.4
413.36945	0.9
419.07584	5.3
421.09366	1.1
461.08237	1.3
465.08047	1.1
485.10925	1.5
489.07932	3.9
507.09027	4.0
524.36914	1.2
527.10022	1.7
569.10651	1.5
573.10144	1.3
591.11090	10.0
597.10083	1.1
615.11029	3.1
645.11755	1.1
679.13849	1.9
697.15247	1.6
905.00208	1.1
929.90131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87986	0.3
67.05491	7.0
68.05816	0.3
69.03419	3.9
69.07063	2.6
71.01357	0.8
71.04977	0.5
73.02911	4.9
75.26128	0.4
79.05478	9.0
79.05898	0.5
81.03398	3.0
81.07044	7.8
83.04987	1.6
83.08613	0.6
85.02894	7.2
85.03367	0.4
85.06512	0.4
86.76812	0.4
91.03936	4.5
91.05463	7.2
93.07021	8.3
93.07558	0.4
95.04948	2.6
95.08591	4.8
97.02870	7.0
97.06516	1.4
97.10153	0.6
99.04480	1.7
101.02379	2.1
105.04459	0.3
105.07009	5.1
107.04959	1.6
107.08576	3.7
109.02917	1.3
109.06528	0.4
109.10194	1.7
111.04462	1.4
111.08085	0.4
117.06976	3.1
119.08564	3.5
121.09401	0.4
121.10105	3.0
123.08085	0.4
127.03918	2.1
129.06981	0.7
131.08586	1.7
133.10103	2.3
135.11734	1.8
143.08554	0.6
145.04985	0.4
145.10088	2.6
147.11662	2.3
149.13310	0.5
159.11707	0.8
161.13278	0.7
163.11237	1.9
171.11728	1.8
173.09723	0.5
181.12167	0.7
185.04161	0.7
201.03860	0.6
203.05292	0.8
207.13821	0.4
209.11700	0.4
227.12985	0.5
243.08308	3.0
247.12904	2.3
283.15479	1.7
301.16489	0.8
303.15768	0.6
308.89163	0.3
335.25751	2.4
336.26285	0.6
347.09454	3.6
363.09027	1.8
365.10803	0.7
405.13672	6.7
463.14374	0.7
465.20889	7.6
507.13998	0.3
527.37000	0.5
535.28900	4.7
537.22443	0.4
543.37097	1.7
544.37317	1.4
545.38538	0.6
561.38080	1.7
562.38043	1.6
607.31171	0.4
627.26074	8.5
665.01062	0.4
697.34216	3.8
699.28253	1.4
759.42816	0.6
921.48047	100.0
922.48523	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	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.8
67.05141	2.7
67.05494	64.8
69.03419	7.2
69.07053	22.5
71.04978	8.3
73.02885	4.6
74.81892	1.0
76.56384	1.4
77.03885	1.2
79.05476	75.3
81.03398	66.4
81.07040	72.4
83.04967	19.7
83.08607	27.3
85.02425	2.3
85.02894	38.4
85.06506	4.4
91.03935	7.0
91.05462	100.0
93.07022	70.2
95.04948	31.2
95.08587	39.1
97.02862	11.1
97.06503	10.7
97.10154	7.2
99.08070	1.8
101.29324	1.2
103.05451	1.4
105.07015	91.0
107.04950	14.0
107.08575	40.0
109.06506	11.6
109.10151	17.2
111.04440	2.0
111.08086	9.2
113.05984	1.4
115.05406	1.7
117.06987	23.6
119.05009	1.4
119.08562	76.4
121.06441	2.2
121.10123	28.5
123.08073	6.0
123.11621	2.4
125.09631	2.7
128.06187	1.2
129.05502	1.4
129.06987	27.6
131.08543	47.5
133.06493	5.6
133.10098	55.5
135.08044	2.0
135.11673	13.8
137.09589	6.3
141.06987	1.7
142.07771	6.4
143.08540	14.9
145.04944	1.3
145.10100	26.3
147.08058	6.1
147.11665	51.2
149.09625	6.7
149.13287	9.8
155.08580	4.5
157.10098	27.5
159.11667	20.4
161.09576	1.4
161.13228	20.6
163.11159	5.6
163.14859	1.3
165.12788	2.0
167.08467	1.7
169.10115	5.0
171.11635	14.4
173.13239	7.9
175.11162	16.6
175.14772	9.4
181.12216	1.4
183.11673	2.6
185.13249	12.3
187.14783	1.6
193.12193	30.2
193.13927	1.5
195.11659	2.4
197.09366	1.3
197.13225	1.7
199.14810	4.9
209.13213	2.1
211.13229	28.6
211.15019	1.7
213.16508	1.6
225.16425	1.3
227.12659	1.6
231.21021	2.0
241.19498	15.7
257.18958	2.5
259.20520	38.2
267.15915	16.2
275.19901	1.4
283.15366	2.9
285.16891	42.6
286.17294	1.3
299.23755	1.7
311.68997	1.2
315.23032	2.1
333.24133	33.6
333.60068	1.2
433.30920	7.4
451.32278	8.7
469.32925	6.7
507.34763	2.8
515.37299	2.7
525.35626	34.0
526.36273	1.4
543.36743	96.0
544.36591	2.2
559.56073	1.2
561.37286	5.2
669.40222	1.3
917.53693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	73.5
69.03410	4.0
69.07057	25.5
71.04979	2.6
73.02892	12.9
79.05477	61.3
81.03400	13.2
81.06609	2.6
81.07049	66.6
83.04961	17.1
83.08602	11.9
85.02888	20.7
91.03938	4.8
91.05465	38.6
93.07033	58.3
94.53550	2.1
95.04950	20.6
95.08589	44.4
97.02865	11.3
97.06513	9.0
97.10156	10.6
99.04353	2.8
105.07021	29.6
105.60576	2.2
107.04940	4.6
107.08582	34.0
109.06509	3.7
109.10148	20.6
111.04439	3.0
111.08084	4.1
115.05428	2.5
116.04663	13.7
117.07001	11.5
119.08565	21.1
121.06471	2.3
121.10103	21.9
123.08050	2.1
123.11668	2.1
125.09581	11.5
129.05460	22.3
129.06969	4.7
131.08527	17.2
133.06522	2.2
133.10107	20.5
135.08089	3.0
135.11684	17.4
143.06990	8.7
145.10098	13.9
147.11649	11.8
149.13191	5.2
157.08585	14.8
157.10043	5.1
159.11676	5.7
161.13292	2.9
163.11142	4.1
171.10123	2.9
173.13191	4.3
175.14847	2.3
177.16345	2.7
187.14972	2.6
189.11282	3.2
209.69211	2.8
219.70151	2.2
227.12791	9.9
243.20853	2.8
248.40689	2.4
261.22003	5.8
267.15704	3.8
283.15347	5.4
285.16891	4.1
301.16498	44.0
315.23138	2.7
335.25745	62.2
341.15771	2.4
527.38074	3.9
543.36609	14.7
561.37836	100.0
562.37402	3.2
596.33551	2.9
882.96704	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	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.7
66.68408	0.7
67.05492	55.1
69.03423	6.2
69.07055	20.2
71.04983	6.1
73.02892	4.3
77.27243	0.8
79.05475	65.8
81.03398	52.6
81.07035	62.2
81.85151	0.8
82.96747	0.8
83.04965	14.7
83.08598	22.7
85.02884	30.9
85.06519	1.9
89.66446	0.8
91.03934	6.1
91.05457	90.6
92.05824	0.9
92.08573	0.7
93.07021	63.7
95.04945	28.7
95.08582	36.6
97.02864	10.2
97.06503	7.6
97.10135	7.4
99.04423	0.9
99.08073	3.2
103.05442	1.8
105.07011	82.5
107.04926	8.5
107.08575	36.0
107.09297	1.6
109.02888	0.8
109.06475	7.4
109.10145	16.1
111.04428	3.3
111.08070	7.1
111.11715	0.9
113.05996	0.9
115.05405	1.9
117.06999	22.0
118.35480	0.8
119.08556	72.6
121.06474	1.6
121.10119	28.3
123.08055	3.6
123.11668	3.6
125.09632	2.8
126.32281	0.9
127.03906	1.9
128.06184	4.2
129.05463	0.9
129.06972	27.1
129.57320	0.8
131.08542	35.4
133.06473	3.2
133.10104	53.7
135.08020	1.2
135.11653	17.3
136.35986	0.7
137.09583	1.8
141.07062	2.6
142.07751	4.8
143.08530	12.4
145.04953	1.8
145.10110	26.6
147.08057	4.7
147.11668	45.4
149.09651	7.9
149.13268	9.4
155.08524	4.7
156.09323	1.0
157.10091	24.6
159.08025	1.1
159.11665	19.3
161.13202	20.0
163.11147	4.1
163.14771	1.6
165.12726	1.7
167.08611	1.2
169.10117	4.2
171.11630	13.5
173.13185	11.9
175.11145	13.6
175.14763	8.5
177.12708	1.0
180.09183	0.9
181.10138	1.4
183.11647	3.2
185.13199	9.3
187.14764	1.7
187.18726	0.8
189.12651	1.4
193.12206	23.1
194.12634	0.9
195.11665	1.0
197.13266	1.7
199.14771	5.5
203.14330	1.1
207.11775	0.9
211.13234	24.5
211.14978	1.6
213.16377	1.6
217.15970	0.9
227.12762	1.5
229.14323	1.0
231.17639	0.9
231.21094	4.3
241.19466	15.3
243.21060	0.9
257.18875	1.2
259.20508	56.3
265.14072	1.0
267.15768	11.5
275.20123	1.0
277.21735	1.7
283.15317	1.6
283.20703	1.0
285.16913	31.1
297.22131	1.1
299.23575	1.1
315.23138	3.0
333.24158	39.5
334.24649	1.2
335.25522	1.0
415.29871	3.1
423.32440	1.1
433.30829	6.0
451.31876	6.3
469.32889	1.4
487.33884	1.0
489.33569	1.0
507.34525	1.6
515.37024	4.5
525.35651	34.2
526.35797	2.8
543.36731	100.0
544.36835	4.3
561.37372	4.4
587.51343	0.9
651.38562	3.7
669.40686	1.9
687.40839	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	919.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	8.4
69.03420	4.6
69.07058	1.3
73.02908	5.2
73.32544	1.2
79.05483	9.0
81.03407	2.6
81.07050	7.1
83.04995	1.6
85.02903	6.0
91.03956	1.8
91.05473	6.6
93.07034	6.5
95.04947	1.8
95.08589	4.6
97.02888	6.4
101.02375	1.6
105.07018	6.2
107.04945	1.4
107.08586	1.4
109.10162	2.2
117.07004	1.8
119.08582	2.4
121.10128	1.6
128.06253	1.5
131.08516	1.7
133.10149	4.8
145.10182	1.6
147.11713	2.0
171.11700	1.6
179.14273	1.3
198.90846	1.6
243.08406	2.1
299.14914	1.7
300.31662	1.0
315.19498	1.8
347.09384	1.7
402.31693	1.2
405.13818	7.3
465.20663	10.0
533.27142	5.3
550.61719	1.2
627.26331	7.1
695.32355	2.3
919.46466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96983	1.0
66.44972	1.1
67.05487	2.9
69.03425	5.6
73.02905	2.7
79.05482	1.5
81.03394	2.1
81.07047	2.1
83.08645	1.7
85.02909	6.0
85.36616	1.2
88.60500	1.1
91.03956	5.5
92.09270	1.8
95.08643	2.0
97.02892	8.5
101.02373	1.8
103.29574	1.2
103.34529	1.2
108.89385	1.2
127.03923	2.0
133.10068	1.4
283.15189	4.5
313.27347	1.7
345.38864	1.5
347.09439	2.3
372.59134	1.5
405.13657	5.5
497.30472	12.1
501.23123	2.7
544.71857	1.3
659.35748	12.1
663.28217	5.8
757.46857	2.5
796.89337	1.5
891.05829	1.4
919.52203	100.0
920.51953	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	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	73.5
69.03410	4.0
69.07057	25.5
71.04979	2.6
73.02892	12.9
79.05477	61.3
81.03400	13.2
81.06609	2.6
81.07049	66.6
83.04961	17.1
83.08602	11.9
85.02888	20.7
91.03938	4.8
91.05465	38.6
93.07033	58.3
94.53550	2.1
95.04950	20.6
95.08589	44.4
97.02865	11.3
97.06513	9.0
97.10156	10.6
99.04353	2.8
105.07021	29.6
105.60576	2.2
107.04940	4.6
107.08582	34.0
109.06509	3.7
109.10148	20.6
111.04439	3.0
111.08084	4.1
115.05428	2.5
116.04663	13.7
117.07001	11.5
119.08565	21.1
121.06471	2.3
121.10103	21.9
123.08050	2.1
123.11668	2.1
125.09581	11.5
129.05460	22.3
129.06969	4.7
131.08527	17.2
133.06522	2.2
133.10107	20.5
135.08089	3.0
135.11684	17.4
143.06990	8.7
145.10098	13.9
147.11649	11.8
149.13191	5.2
157.08585	14.8
157.10043	5.1
159.11676	5.7
161.13292	2.9
163.11142	4.1
171.10123	2.9
173.13191	4.3
175.14847	2.3
177.16345	2.7
187.14972	2.6
189.11282	3.2
209.69211	2.8
219.70151	2.2
227.12791	9.9
243.20853	2.8
248.40689	2.4
261.22003	5.8
267.15704	3.8
283.15347	5.4
285.16891	4.1
301.16498	44.0
315.23138	2.7
335.25745	62.2
341.15771	2.4
527.38074	3.9
543.36609	14.7
561.37836	100.0
562.37402	3.2
596.33551	2.9
882.96704	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	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
67.05143	1.7
67.05499	34.8
69.03416	2.6
69.07063	22.3
71.04982	4.5
71.33823	1.0
79.05473	32.8
81.03397	29.2
81.07042	50.5
83.04964	10.2
83.08605	11.7
85.02888	14.4
85.06535	1.3
91.03928	1.5
91.05465	51.0
93.07025	28.7
95.01305	6.9
95.04942	16.2
95.08586	26.0
97.02856	1.8
97.06510	20.9
97.10136	2.7
99.08106	1.2
105.04514	1.0
105.07015	67.7
107.04930	17.6
107.08584	16.5
109.06509	4.2
109.10150	7.5
111.08075	5.1
113.05944	1.5
117.06990	14.5
119.07706	2.0
119.08559	40.7
121.06499	5.2
121.10139	9.3
123.04379	1.3
123.08039	4.9
123.11642	1.3
125.09565	1.5
129.06969	7.7
131.08537	24.2
133.06488	2.1
133.10109	36.3
135.08061	1.5
135.11652	5.6
137.09613	2.0
141.06996	2.0
142.07794	1.5
143.08516	2.3
145.10115	12.1
147.08020	1.2
147.11667	18.7
149.09624	7.0
149.13216	4.2
155.08580	1.3
157.10081	10.1
159.11641	9.6
161.09593	1.2
161.13219	5.8
163.11171	5.4
165.09062	1.4
171.11655	1.5
175.11177	7.0
177.12778	2.2
177.93835	1.1
179.14275	9.6
193.12257	11.5
205.12097	1.7
211.13286	7.6
219.17398	2.7
241.75160	1.4
257.18887	1.7
267.15869	10.5
275.20016	37.5
285.16992	11.5
349.23679	22.7
431.51559	1.4
461.28125	1.5
541.26862	1.6
541.35156	49.8
559.36212	100.0
560.36481	4.3
577.36450	1.7
626.86249	1.3
699.09515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89996	0.6
65.03934	1.3
67.05143	1.5
67.05492	39.1
69.03400	4.9
69.07050	15.9
71.01344	0.8
71.04971	4.4
73.02888	4.8
77.03903	1.0
78.23162	0.7
79.05474	51.7
81.03395	13.2
81.07037	45.6
83.01323	8.4
83.04960	12.3
83.08603	13.1
85.02883	16.7
85.06538	1.5
90.31726	0.6
91.03946	8.7
91.05460	65.2
93.07019	61.9
94.07256	0.7
94.08446	0.7
95.04941	10.3
95.08581	29.0
97.02860	9.9
97.06509	8.1
97.10137	7.5
97.61682	0.7
99.04442	3.2
99.08070	1.2
103.05442	1.2
105.04525	0.9
105.07012	74.5
107.04935	9.6
107.08577	37.3
109.06510	8.2
109.10155	8.4
111.04397	1.0
111.08057	3.2
115.05425	1.4
117.06999	23.1
119.08561	56.0
121.06470	4.6
121.10124	22.4
123.08030	9.3
123.11711	1.6
125.09614	5.3
127.03930	3.1
128.06171	1.5
129.05434	0.8
129.06969	12.7
130.07750	1.2
131.08548	24.5
133.06500	1.0
133.10104	39.3
135.04335	0.9
135.08028	3.3
135.11674	22.9
137.02373	1.1
137.09572	1.7
139.07544	0.8
141.06963	1.6
142.07784	1.2
143.08548	13.3
145.04858	1.5
145.06566	0.8
145.10110	26.9
147.08057	3.0
147.11659	30.4
149.09589	4.7
149.13246	7.2
153.12701	1.2
155.08514	4.5
156.09219	0.9
157.10078	11.3
158.10829	1.0
159.11667	15.7
161.09563	1.1
161.13217	18.2
163.03842	1.2
163.05919	1.6
163.11136	22.6
163.14854	0.9
169.10115	2.8
171.11635	14.5
173.09573	3.9
173.13193	9.4
175.11176	1.6
175.14738	6.4
177.12643	0.8
181.10030	1.0
181.12108	2.3
183.11682	3.5
185.13219	9.4
187.14743	3.2
189.11142	4.3
189.12733	1.3
191.10591	3.1
197.13199	3.7
199.14720	5.5
201.16255	1.3
209.11661	4.7
213.16345	0.9
227.12746	10.1
231.17496	1.0
231.21048	4.3
241.19424	12.4
259.20520	55.1
267.15982	1.0
275.19910	1.4
283.15326	37.6
297.22049	4.6
313.21646	0.9
315.23013	5.1
333.24210	27.1
349.22293	0.8
367.22467	1.0
421.30627	1.0
423.25897	1.0
431.29276	4.0
449.30273	7.6
467.31418	4.7
485.32248	3.5
513.35657	3.9
523.34106	12.5
531.36072	1.3
541.35162	100.0
542.35010	3.2
559.36169	26.8
583.36359	0.9
651.39709	0.8
685.39001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.0
67.05492	65.5
69.03419	5.9
69.07056	15.7
71.01324	2.7
71.04955	3.6
73.02896	5.9
79.05475	54.8
81.03400	6.2
81.07037	74.5
83.04959	5.1
83.08605	19.8
85.02891	19.4
85.06524	4.5
90.51122	0.7
91.03933	10.7
91.05461	43.5
92.64210	0.7
93.07023	61.9
95.04946	10.6
95.08585	51.2
97.02881	14.1
97.06508	5.6
97.10155	4.3
99.00798	30.4
99.01446	1.2
99.04436	1.3
103.05457	3.2
105.04511	1.0
105.07016	37.1
107.04943	7.4
107.08581	35.2
109.02869	16.9
109.06491	5.0
109.10141	24.8
109.10857	1.3
111.04434	2.7
111.08052	7.4
115.03903	4.4
117.06990	9.2
119.08562	25.9
121.06497	12.1
121.10123	23.0
123.04411	1.0
123.08025	3.8
123.11681	8.7
125.09624	1.1
127.03899	6.9
128.06169	1.1
129.06990	1.4
131.08546	15.2
133.06474	4.0
133.10107	55.7
135.08052	3.0
135.11667	17.1
137.05957	1.4
137.09625	1.6
137.13211	1.1
139.07550	3.1
143.08516	8.5
145.04929	4.1
145.06451	0.8
145.10117	10.1
147.08098	0.9
147.11678	8.6
149.09499	0.8
149.13263	8.2
151.11169	17.1
153.12755	0.8
155.50868	0.8
159.11674	8.5
159.40855	0.9
161.08270	1.0
161.09581	24.7
161.13210	4.6
163.06062	1.5
163.11180	0.9
163.14777	3.8
165.09129	0.9
171.07973	5.2
171.11673	1.0
173.13202	6.8
174.74747	0.8
175.14877	1.5
177.16333	3.0
179.10649	14.8
187.14818	4.3
189.09068	12.1
197.11736	3.9
199.14909	0.8
207.10101	4.8
225.11198	12.4
227.12727	0.9
243.12221	3.5
243.21014	7.9
261.22073	24.1
262.85861	0.7
277.21613	1.0
281.13776	3.1
281.17255	1.2
299.14841	92.0
315.23181	3.8
317.24600	3.0
335.25745	100.0
336.25964	1.0
421.30972	1.0
449.30109	1.1
457.33157	0.9
467.31442	5.7
485.32281	3.6
513.35425	4.7
515.37439	1.2
531.36597	4.7
541.34637	16.4
559.36200	84.1
560.36609	1.4
577.37067	5.0
716.64825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.7
67.05492	55.6
67.05850	1.8
68.84964	0.9
69.03411	5.6
69.07053	15.4
71.01318	1.8
71.04966	1.6
73.02898	7.0
79.05475	42.0
81.03392	6.0
81.07039	66.0
82.23192	0.7
83.04938	4.1
83.08601	24.0
85.02895	18.1
85.06532	3.1
91.03928	10.5
91.05462	39.7
93.07025	59.9
95.04952	11.0
95.08586	45.5
95.09200	1.4
97.02876	17.5
97.06493	6.0
97.10141	4.9
99.00792	29.5
99.04426	1.1
99.08059	1.2
103.05414	1.7
105.04450	1.1
105.07014	30.8
107.04928	7.8
107.08581	28.2
109.02869	16.7
109.06490	5.2
109.10145	19.0
111.04426	1.2
111.08052	5.1
113.06017	0.8
115.03909	4.6
117.07001	8.0
119.08556	21.8
121.06497	12.5
121.10130	20.4
123.04410	3.2
123.08036	2.9
123.11681	8.2
125.09615	1.0
127.03909	9.9
128.06235	3.1
129.06969	1.6
131.08546	12.7
133.06459	1.9
133.10112	55.1
135.08058	1.1
135.11684	13.9
137.05917	1.4
137.09566	1.4
139.07552	4.1
143.08519	8.8
145.04924	1.4
145.10123	8.3
147.04420	0.8
147.08061	1.9
147.11673	5.4
149.13174	6.2
151.11153	15.2
159.11736	6.6
161.09604	32.8
161.13275	3.8
163.05986	3.2
163.11133	1.8
163.14777	4.1
171.08017	6.6
173.13216	5.7
175.14842	1.8
179.10640	13.5
187.14830	1.0
189.09079	12.4
189.10658	1.1
197.11702	3.3
207.10107	3.9
225.11163	12.5
227.12898	1.1
243.12186	3.7
243.21114	4.8
259.20575	0.9
261.22073	15.8
277.21603	1.0
281.13852	4.0
299.14844	100.0
311.25858	5.4
312.25909	1.6
315.23105	1.6
317.24545	1.4
335.25748	77.5
336.25992	1.2
421.30310	1.0
449.30371	1.1
467.31464	6.0
485.32275	4.1
497.91046	0.8
513.35474	3.9
515.37231	1.6
531.36725	4.0
541.35089	18.5
559.36206	46.1
560.36475	1.2
577.37164	7.4
849.12170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31344	1.0
65.03920	2.5
67.05495	63.2
69.03426	2.1
69.07059	20.3
71.04977	1.8
73.02908	2.3
75.95091	1.0
77.03842	1.2
79.05478	94.6
81.03385	8.6
81.07040	69.8
83.04951	12.9
83.08607	11.0
85.02905	8.7
85.06540	5.3
91.03942	2.4
91.05463	96.4
93.07027	100.0
95.04952	26.4
95.08588	40.0
97.02888	4.6
97.06518	4.8
97.10155	4.2
99.08051	1.5
103.05470	1.6
105.04524	1.0
105.07021	92.2
107.04926	9.1
107.08587	37.9
109.06490	5.4
109.10149	10.7
111.08078	1.3
115.05409	1.5
117.06996	26.0
119.08566	70.4
121.06501	4.4
121.10129	19.0
123.08041	6.7
123.11688	2.1
125.09621	1.5
128.06232	5.2
129.06982	24.9
131.08546	24.5
133.06441	1.1
133.10115	44.6
133.11136	1.7
135.08025	2.2
135.11653	16.9
141.06953	1.4
142.07791	1.4
143.08548	18.9
145.10112	30.9
147.07961	2.6
147.11673	61.6
149.09637	2.0
149.13251	8.8
155.08597	4.4
157.10121	11.1
159.11664	20.3
161.09595	5.3
161.13242	27.1
163.11201	1.5
169.10037	4.2
171.11661	29.1
173.13205	10.0
175.11203	1.2
175.14778	8.1
177.12766	2.1
181.10141	1.4
181.60992	1.1
183.11711	2.3
184.71960	1.0
185.13216	8.6
187.11188	1.8
187.14874	2.0
189.12709	8.3
197.13358	1.3
199.14807	2.2
207.13779	14.0
213.16342	1.9
231.17206	1.2
231.21126	5.5
231.59663	1.0
241.19463	18.1
257.18985	2.2
259.20529	58.2
261.22171	1.2
279.15875	13.7
281.17410	47.9
297.16989	1.4
297.22205	1.1
299.45496	1.1
315.23102	4.8
333.24161	30.3
430.85049	1.1
447.32315	7.0
456.97073	1.6
465.33554	6.0
483.34689	4.7
521.36017	2.5
529.38147	1.5
539.37268	98.1
557.38232	40.0
701.41754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	59.1
69.03424	4.7
69.07067	18.1
71.08612	30.4
71.50294	2.2
73.02920	4.1
79.05479	17.7
81.03382	3.7
81.07037	45.2
83.04971	9.6
83.08610	26.0
85.02908	26.5
85.10166	18.2
91.03941	5.4
91.05470	12.1
93.07047	14.9
95.04945	4.9
95.08578	37.3
97.02901	12.1
97.06509	3.1
97.10157	21.6
105.07013	11.0
107.04947	2.9
107.08596	12.3
109.10155	45.5
110.10492	2.4
111.04440	4.7
117.06979	3.4
119.08576	4.9
121.10168	5.6
123.11710	3.0
125.09614	10.8
127.03886	2.5
129.07072	4.0
131.08540	4.8
133.10127	3.4
135.11664	3.1
136.00829	2.5
138.21106	2.7
145.10027	3.7
163.11217	4.6
173.11696	9.8
194.05693	2.4
204.62590	2.8
209.11723	15.1
227.12805	9.1
229.14317	24.0
257.24927	2.8
283.15396	13.3
286.28656	2.6
299.14890	2.8
300.15338	2.9
301.16525	22.4
313.27347	100.0
314.27673	5.6
442.18164	2.5
446.07538	2.4
455.37164	15.0
467.37296	47.3
492.06308	2.9
512.27325	2.8
521.38477	16.8
537.37299	4.1
538.38251	4.7
539.39258	25.8
557.40411	2.6
573.67450	3.1
771.86761	2.7
916.48712	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	916.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34064	1.6
67.05140	3.5
67.05494	87.8
69.03421	8.3
69.07059	22.0
71.01317	2.1
71.04958	2.4
71.08615	3.6
73.02889	8.9
79.05474	71.5
81.03400	12.3
81.07038	82.3
83.04966	7.3
83.08587	15.6
85.02881	26.9
85.06468	2.0
91.03916	14.1
91.05466	55.6
92.08645	3.2
92.79544	1.4
93.07022	78.0
95.04942	33.1
95.08579	47.7
97.02862	15.1
97.06535	3.4
97.10135	15.4
105.07005	34.1
107.04936	10.6
107.08585	44.7
109.06515	4.4
109.10159	26.5
111.08074	3.0
116.00766	1.6
117.06997	27.3
119.08547	21.1
121.06510	3.9
121.10118	28.8
123.08064	2.1
123.11690	1.7
125.09614	17.5
127.03912	2.8
129.06975	4.4
131.08536	26.0
133.10110	19.2
135.08038	2.5
135.11684	14.2
141.07091	2.4
143.08595	7.4
145.04950	3.7
145.10104	18.6
147.11732	8.2
149.13255	8.4
155.08545	2.1
157.10135	2.8
159.11633	16.0
161.13200	3.0
163.11310	2.5
169.10089	2.9
171.11659	2.6
173.11705	3.6
173.13213	7.8
175.14824	2.4
177.12694	2.5
187.11150	2.6
187.14809	1.9
189.11238	6.8
205.12230	3.3
209.11784	2.2
223.13242	50.6
227.12790	7.3
229.14191	7.1
243.20955	2.6
257.90628	2.2
261.22144	16.4
279.16074	2.7
297.16891	64.6
305.18622	1.9
313.27356	10.7
314.73428	2.2
329.24622	3.1
335.25751	67.1
463.11584	2.1
465.33557	2.4
489.35675	4.4
521.37610	2.3
539.37671	13.4
557.38263	100.0
558.37885	2.1
575.39380	3.6
826.37915	1.9
865.56720	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	916.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	17.6
69.07060	16.3
73.02889	1.3
79.05478	22.5
80.27362	1.0
81.03389	7.7
81.07042	27.9
83.01300	1.2
83.04958	6.2
83.08592	5.1
85.02888	1.5
86.77095	1.2
91.05477	23.7
93.07027	20.1
95.01313	5.5
95.04936	6.9
95.08572	15.0
97.02846	1.9
97.06504	11.4
97.10182	1.5
105.07021	42.4
107.04947	13.5
107.08577	10.8
109.10133	5.7
111.04379	1.5
111.08053	1.3
117.06983	8.9
119.08572	20.8
121.06411	1.5
121.10100	6.4
123.08030	2.9
125.09600	1.6
131.08542	11.1
133.10114	17.8
135.07933	1.4
135.11652	2.7
145.10127	11.1
147.11694	8.3
149.09575	2.6
149.13341	1.4
157.10023	1.7
159.11676	4.8
163.11118	7.9
169.10110	1.3
176.88066	1.2
179.14217	4.3
192.63129	1.4
227.12787	1.9
257.18927	1.4
275.20117	19.6
283.15381	11.6
288.00055	1.4
349.23608	8.4
555.80780	1.5
557.34692	100.0
558.34747	4.7
685.65814	1.5
916.12592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	100.0
68.24595	2.3
69.03407	5.2
69.07051	23.5
71.04985	4.3
71.66753	2.3
73.02892	5.3
79.05484	78.4
81.03401	17.9
81.06593	5.0
81.07041	89.7
83.04973	11.7
83.08598	14.8
85.02880	29.3
85.15600	2.4
91.03943	16.1
91.05454	47.5
91.65968	2.6
93.07027	78.1
95.04957	28.9
95.08589	61.6
97.02869	13.3
97.06489	6.8
97.10143	18.9
99.08111	3.2
105.07010	33.1
107.04969	15.7
107.08575	42.1
109.06458	9.2
109.10140	29.3
117.06985	27.8
119.08559	23.4
121.06496	4.3
121.10091	30.1
123.08061	5.5
123.11700	5.1
125.09614	12.6
129.06972	5.4
131.08522	26.9
133.10109	20.0
135.11690	20.9
137.09615	4.7
141.07080	3.7
143.08540	4.3
145.05011	4.6
145.06505	3.1
145.10115	19.6
147.11661	11.4
149.13246	6.7
157.10069	2.9
159.10527	3.0
159.11705	16.5
161.13232	2.8
169.10075	5.5
173.13214	4.3
177.12750	6.7
187.11151	5.0
189.11264	6.5
205.12167	3.7
223.13258	57.3
227.12685	4.6
229.14284	4.2
261.22052	13.3
279.15787	20.5
297.16925	91.0
313.27481	5.0
329.24478	2.9
335.25790	70.1
394.26035	3.8
432.79745	2.9
436.22632	3.1
479.07471	2.7
489.35962	3.7
539.37866	16.2
557.38184	90.6
575.39233	4.5
696.39172	3.2
717.24316	3.2
771.80975	3.1
827.41711	3.6
865.86566	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	916.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51706	5.4
70.49969	5.6
72.85862	6.4
89.70408	5.8
91.30451	5.4
134.77953	6.5
139.91626	5.9
199.08508	10.8
215.15311	7.3
228.12538	6.7
243.14851	100.0
253.61221	5.9
269.12766	12.1
277.82965	6.7
525.91663	6.6
607.26929	14.3
621.99323	7.0
862.15112	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	916.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	17.6
69.07060	16.3
73.02889	1.3
79.05478	22.5
80.27362	1.0
81.03389	7.7
81.07042	27.9
83.01300	1.2
83.04958	6.2
83.08592	5.1
85.02888	1.5
86.77095	1.2
91.05477	23.7
93.07027	20.1
95.01313	5.5
95.04936	6.9
95.08572	15.0
97.02846	1.9
97.06504	11.4
97.10182	1.5
105.07021	42.4
107.04947	13.5
107.08577	10.8
109.10133	5.7
111.04379	1.5
111.08053	1.3
117.06983	8.9
119.08572	20.8
121.06411	1.5
121.10100	6.4
123.08030	2.9
125.09600	1.6
131.08542	11.1
133.10114	17.8
135.07933	1.4
135.11652	2.7
145.10127	11.1
147.11694	8.3
149.09575	2.6
149.13341	1.4
157.10023	1.7
159.11676	4.8
163.11118	7.9
169.10110	1.3
176.88066	1.2
179.14217	4.3
192.63129	1.4
227.12787	1.9
257.18927	1.4
275.20117	19.6
283.15381	11.6
288.00055	1.4
349.23608	8.4
555.80780	1.5
557.34692	100.0
558.34747	4.7
685.65814	1.5
916.12592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26504	0.5
67.05494	15.2
69.03397	2.0
69.07058	7.9
71.04966	0.9
71.08614	24.9
73.02894	2.8
74.07500	0.4
75.04479	0.5
77.39140	0.4
79.05470	8.1
81.03401	63.3
81.07040	19.6
81.07525	0.6
83.04965	3.3
83.08109	1.0
83.08600	20.8
85.02894	5.6
85.09657	0.6
85.10168	13.1
89.06019	0.8
91.03938	3.5
91.05460	10.5
93.07030	6.3
95.04943	18.7
95.08585	20.1
97.02859	4.1
97.06516	2.0
97.10147	6.7
99.08051	0.7
103.07559	0.7
104.28242	0.4
105.07005	8.3
107.04928	5.2
107.08586	2.8
109.02855	0.8
109.06493	2.9
109.10140	9.7
110.17773	0.5
111.04433	1.1
111.08070	5.1
111.11701	0.9
115.05428	0.7
117.06989	1.0
119.08560	8.1
121.06503	1.1
121.10125	4.4
123.04417	2.3
123.08092	0.8
123.11673	4.0
125.09636	0.5
127.03930	0.6
129.06976	8.8
131.08522	7.9
133.06464	3.1
133.10083	3.8
133.98869	0.5
135.11632	0.6
137.09581	0.7
137.13222	2.3
142.07771	1.0
145.04924	1.0
145.10126	2.1
147.08029	1.2
147.11642	6.4
149.09575	3.8
157.10101	8.3
163.05933	0.6
163.11136	2.3
165.12663	0.7
175.11176	8.0
175.95169	0.5
193.12209	30.8
211.13248	1.0
235.13266	1.8
239.23662	2.6
249.14838	2.1
257.24756	3.3
267.15851	68.4
273.14816	1.0
301.14282	1.0
309.16956	2.0
313.27319	100.0
314.27945	0.8
421.07974	0.5
505.38800	75.5
506.39178	1.0
523.39825	5.2
547.39966	7.5
565.41107	0.9
589.40283	1.2
601.40277	2.3
613.40887	2.2
631.41675	2.1
649.42999	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	914.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.5
67.05489	24.2
68.84702	0.3
69.03412	0.5
69.07054	14.6
71.01315	0.3
71.04980	1.4
73.02877	0.5
73.06551	0.5
79.05473	28.5
81.03408	5.5
81.07035	29.2
81.14408	0.3
83.04962	6.4
83.08610	4.0
85.02885	1.8
85.06525	1.4
91.03935	0.6
91.05459	37.1
93.07021	26.9
95.01313	3.8
95.04944	10.7
95.08582	19.1
97.02879	1.9
97.06508	18.4
97.10162	1.8
99.08089	0.6
100.53660	0.3
103.05472	1.3
105.04515	0.7
105.07010	41.7
107.04934	9.8
107.08572	9.3
109.06495	3.6
109.10126	4.3
111.08060	1.5
113.09657	0.4
115.05369	0.4
116.04626	0.3
117.06990	9.8
119.08562	26.8
121.06476	3.0
121.10109	5.0
123.04428	0.7
123.08048	2.8
123.11729	0.7
125.09597	0.7
128.06241	0.7
129.06969	6.1
131.08549	11.3
133.06476	0.7
133.10103	20.9
135.08058	1.6
135.11710	3.7
137.09634	1.8
139.07510	1.3
141.06982	1.3
142.07750	0.4
143.08540	5.1
145.06497	1.3
145.10097	10.2
145.11215	0.4
147.08093	0.7
147.11670	12.8
148.17906	0.3
149.09593	4.3
149.13255	1.6
151.11176	1.6
155.08519	1.4
157.10110	1.4
159.11673	5.8
161.09616	1.9
161.13219	5.5
163.11183	3.1
165.09149	0.6
169.10123	1.6
171.11667	6.4
173.13261	2.0
175.11182	0.6
177.12737	1.6
179.14250	6.1
183.11729	0.8
187.11185	1.7
189.12775	2.2
205.12192	0.5
207.13736	2.2
211.14801	0.3
230.14940	0.3
239.17944	0.4
247.20583	1.7
257.18933	2.3
259.20584	0.5
263.16458	0.4
275.20004	23.0
279.15924	3.1
281.17413	15.3
281.20483	0.7
293.21100	0.8
347.71536	0.4
349.23605	10.5
362.02695	0.3
362.17264	0.3
537.35406	2.3
555.36707	100.0
556.37140	1.8
573.37897	2.1
694.00952	0.4
817.48376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48627	0.4
67.05490	5.0
69.03413	5.0
69.07063	0.9
71.04977	0.7
73.02905	4.6
75.57952	0.5
79.05474	4.3
81.03416	3.4
81.07038	6.2
83.04936	0.6
83.08630	0.6
85.02890	9.8
87.04425	0.6
91.03924	4.8
91.05460	4.2
92.08574	0.5
93.07013	3.9
94.69434	0.5
95.04951	0.8
95.08623	2.6
97.02888	9.0
97.06533	0.6
101.02381	2.8
105.07029	2.0
107.08605	2.3
107.54230	0.5
109.02875	0.5
109.06510	0.5
109.10165	1.2
117.07038	0.6
118.47369	0.5
119.08586	1.1
121.10136	0.9
127.03925	2.5
129.07071	0.6
132.23683	0.5
133.10194	0.8
135.11740	0.7
147.11708	0.6
150.92514	0.5
185.04373	0.6
203.05272	0.7
243.08548	2.6
251.12669	0.6
268.10925	0.5
335.25848	1.1
347.09698	2.8
365.10611	0.9
371.58878	0.5
405.13681	5.3
469.20319	6.3
519.29321	6.2
631.25604	4.1
681.34467	6.6
689.57471	0.6
747.42896	0.9
801.09424	0.6
909.48047	100.0
910.49005	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	912.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42893	1.2
67.05496	28.4
69.03382	1.3
69.07056	14.2
71.01345	2.6
71.04977	6.1
71.08621	36.2
73.02902	4.6
79.05482	22.7
79.27406	1.0
81.03402	24.6
81.07041	38.1
83.01324	1.9
83.04974	11.5
83.08610	18.7
84.35167	1.2
85.02896	16.3
85.06538	4.4
85.10169	15.1
89.06005	1.4
91.03940	5.1
91.05459	13.9
93.07030	25.7
95.04951	10.8
95.08588	33.6
97.02880	12.6
97.06512	7.9
97.10162	6.3
99.04449	1.7
105.07003	8.2
107.04945	21.1
107.08585	11.7
109.06518	7.7
109.10154	17.9
111.04436	18.3
111.08100	2.1
113.28100	1.1
114.37990	1.1
117.07014	10.1
119.08553	11.4
121.06487	7.1
121.10135	13.9
123.04399	1.4
123.08114	2.5
123.11708	4.8
125.05970	5.4
127.03841	1.5
129.06992	4.1
131.08577	7.0
135.08087	1.9
135.11673	16.1
137.09631	1.6
139.07616	1.3
145.10107	16.2
147.08066	6.6
153.12750	10.5
155.08562	2.2
163.06206	1.3
163.11159	33.6
166.87177	1.0
173.09586	6.5
181.12215	4.4
191.10664	7.7
209.11697	7.6
212.79369	1.3
223.13248	21.0
227.12796	1.5
239.23778	2.7
241.14304	8.4
247.26353	1.3
257.24750	2.5
265.14383	14.0
274.51694	1.2
283.15399	11.0
313.27341	82.4
315.18005	20.1
472.53067	1.3
499.77133	1.4
503.37268	14.7
521.38293	64.0
553.40973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	14.9
68.29903	3.3
69.03455	5.4
69.26885	3.1
73.02916	5.5
79.05471	6.4
81.07054	6.1
85.02888	5.5
91.05475	9.2
93.07034	8.4
95.04996	4.1
95.08638	4.1
97.02861	5.8
122.47803	3.6
243.08553	4.5
272.63782	4.4
371.79019	4.1
469.20123	14.7
519.29114	5.4
529.64655	4.1
740.66895	4.8
847.64423	4.3
909.48065	100.0
910.47760	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	908.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	3.5
69.07050	1.5
73.06528	0.7
79.05478	6.7
81.03407	3.0
81.07048	3.7
82.52657	0.7
83.08611	1.3
85.02892	0.8
86.79884	0.7
87.04453	3.7
89.06017	20.0
91.05476	5.5
93.07036	3.0
95.04949	4.0
95.08593	1.7
97.02864	0.9
103.05459	4.5
105.07018	100.0
106.07373	0.7
107.08553	1.2
109.10155	1.3
119.08580	1.4
119.64063	0.9
121.06499	2.7
121.10159	0.9
125.98194	0.7
129.07025	2.9
131.08569	4.9
132.54706	0.8
133.08585	8.4
147.08014	1.1
153.41022	0.8
157.10107	0.8
177.11238	3.5
180.03259	0.7
182.72241	0.7
193.12247	1.4
211.13217	1.7
225.12799	4.5
251.14290	9.4
253.15837	1.4
285.16833	1.4
328.54767	0.7
329.18991	5.0
339.28952	2.7
373.21313	1.5
477.27945	3.0
491.37445	1.0
549.41406	7.1
908.52979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61809	0.4
66.24830	0.4
67.05489	6.6
69.03426	5.1
69.07070	1.8
71.04963	0.6
73.02901	5.4
75.12814	0.4
79.05479	4.4
80.05850	0.5
81.03386	3.3
81.07043	4.8
82.38177	0.4
83.01341	0.5
85.02888	10.3
87.04443	0.6
91.03934	4.9
91.05458	3.1
93.07023	5.6
95.04969	0.9
95.08559	3.3
97.02875	9.8
97.10144	0.4
99.04467	1.8
101.02378	3.2
103.03976	0.5
105.07031	2.4
107.08604	3.1
109.02851	0.8
109.10176	1.8
114.32104	0.4
117.06998	0.6
119.08540	0.9
121.10154	1.9
123.11835	0.5
127.03848	2.9
131.08557	0.9
133.10129	0.8
135.11719	0.7
145.10107	0.6
147.11710	0.5
163.11197	0.8
185.04230	0.9
243.08426	2.3
245.05142	0.4
274.27560	0.4
335.25742	1.7
347.09415	3.1
365.10526	1.6
373.46399	0.4
405.13620	7.6
467.18842	5.0
467.24432	0.4
519.29224	6.6
620.81689	0.5
629.24176	3.3
681.34485	6.3
681.45349	0.6
745.41504	0.9
866.57080	0.6
907.46454	100.0
908.46875	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	908.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.3
69.07014	1.0
79.05465	5.7
81.03416	1.5
81.07039	1.6
83.08588	3.3
87.04459	3.3
89.06013	20.3
91.05469	6.1
93.07034	1.2
95.04947	3.3
103.05468	3.3
104.38052	0.7
105.07016	100.0
119.08596	1.6
121.06500	3.3
121.10208	1.1
128.06215	0.9
129.06938	1.7
131.08514	3.2
133.08603	10.2
133.10028	1.1
147.08038	3.1
149.09634	1.2
153.23547	0.8
177.11166	4.1
194.90852	0.8
225.12773	3.5
251.14305	10.3
329.18869	6.0
332.06900	0.9
339.28738	1.4
373.21512	4.3
477.27621	2.0
525.44611	0.9
549.41235	3.6
620.43427	1.0
683.39990	1.0
772.42114	1.0
908.50122	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	907.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.8
69.03423	5.6
73.02897	6.3
79.05468	5.4
81.03407	4.8
81.07040	7.2
83.08612	0.9
85.02891	10.3
91.03950	4.9
91.05486	1.5
93.07032	5.5
95.04942	0.8
95.08591	4.8
97.02879	8.6
99.04431	1.1
101.02383	1.7
105.07044	1.2
107.04996	1.1
107.08598	1.3
109.02866	1.2
109.10176	2.9
119.08566	1.7
121.10110	0.8
126.28272	0.7
127.03925	3.0
135.11668	0.7
145.10130	0.9
243.08467	1.4
269.16602	0.8
347.09445	3.2
405.13797	6.4
467.18512	9.7
478.52835	0.8
485.24448	0.9
516.37299	1.2
519.29523	4.5
610.73541	0.8
629.23975	6.3
659.54523	0.9
681.34387	4.8
745.41718	1.1
907.46490	100.0
908.47662	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	906.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44222	4.3
67.05497	76.1
69.07050	22.5
75.87514	4.6
79.05477	50.4
81.03394	7.6
81.07039	75.4
83.04952	6.7
83.08624	8.4
84.63432	5.2
85.06527	5.3
91.05466	71.3
93.07013	56.1
95.04906	5.1
95.08575	20.4
105.07032	77.9
107.08576	56.3
109.06519	6.2
109.10146	73.0
112.40557	6.0
117.06995	22.2
119.08568	38.0
121.10087	11.5
123.11668	6.2
131.08525	19.2
131.89806	5.2
133.10117	100.0
135.11696	9.2
145.10065	12.0
147.11694	22.3
149.13264	6.4
151.11180	30.7
157.10072	9.3
159.11629	8.2
161.13263	7.1
171.11584	16.3
185.13152	8.3
241.19470	21.1
253.14336	65.7
259.20566	52.8
271.15350	38.6
277.21661	6.2
333.24155	32.2
429.26865	6.0
511.33746	7.5
529.34979	48.9
547.36261	40.9
907.44397	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	906.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.1
67.05493	100.0
69.03417	4.1
69.07056	13.9
71.04978	19.0
73.02898	4.4
79.05477	33.9
79.95609	1.0
81.03419	2.7
81.07040	43.5
83.04972	4.2
83.08604	7.3
85.02888	12.0
85.06537	2.5
85.70968	1.2
91.03946	5.2
91.05458	27.8
92.09311	5.0
93.07024	48.5
95.04948	5.7
95.08585	35.6
95.90892	1.2
97.02870	6.4
97.06510	5.1
97.10139	1.8
105.07008	15.4
107.08573	19.6
109.06487	2.4
109.09388	2.4
109.10144	72.8
111.08067	4.8
117.07006	6.5
119.08555	22.0
121.10126	17.5
129.07031	1.1
131.08572	8.6
133.10092	6.0
135.11674	17.0
137.09601	8.6
145.10133	9.2
147.11649	4.4
149.13240	2.3
153.74969	1.1
155.10640	1.9
159.11693	4.6
161.13239	1.9
163.11076	2.1
173.11711	8.6
173.13234	4.2
175.14865	1.1
204.32895	1.1
233.48721	1.1
255.15903	2.5
261.22009	1.9
287.18567	11.5
335.25714	20.5
348.81815	1.2
454.66736	1.3
489.35669	81.7
503.37216	2.5
515.37268	18.1
547.39868	94.9
548.39929	1.6
654.52820	1.2
691.43622	1.9
748.03809	1.3
878.75769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33639	3.4
67.05489	62.1
69.03394	4.4
69.07058	27.7
79.05480	70.1
81.03402	16.2
81.07039	100.0
83.04962	15.5
83.08607	20.1
85.02878	6.9
91.05450	42.8
93.07026	51.9
95.04967	29.0
95.08564	30.4
97.06543	3.8
97.10146	22.8
105.07023	39.1
107.04923	25.3
107.08557	37.4
109.06506	13.0
109.10146	16.9
111.04419	13.9
111.08051	5.9
115.05424	4.7
117.06987	28.6
119.08553	36.3
121.06495	13.6
121.10100	14.4
123.08063	31.7
123.51520	3.5
125.09592	16.9
129.06975	15.5
131.08566	28.9
133.06418	5.0
133.10072	21.3
134.44952	3.9
135.08035	12.0
135.11703	12.2
137.09624	11.2
141.06985	3.2
143.08583	12.4
144.05614	3.9
145.10080	29.4
147.08037	19.0
147.11661	13.6
147.75092	2.9
149.09627	12.0
155.08559	3.4
157.10126	13.9
159.07979	3.5
159.11639	15.2
161.09657	17.7
163.11154	22.4
172.47046	3.3
173.09644	3.2
175.11195	4.2
181.12204	4.1
185.13397	3.5
186.90413	3.8
189.11185	6.3
191.10645	3.4
199.11201	3.5
227.12839	13.8
227.17947	3.4
245.18954	3.1
255.17471	5.6
273.18408	36.3
291.19534	66.7
309.20544	3.8
315.71634	3.0
347.22156	12.6
365.23007	30.4
383.19638	19.4
383.24261	20.3
401.21066	29.9
483.94492	3.5
637.40894	5.8
655.37701	3.7
673.38226	29.6
691.39594	37.9
709.39935	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	905.486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.8
69.03413	5.0
69.07081	0.8
71.04991	0.6
73.02897	6.3
75.42031	0.5
79.05473	4.2
81.03394	2.1
81.07034	5.2
83.08603	0.6
85.02891	9.4
87.04469	0.7
91.03931	5.0
91.05485	3.0
92.09280	0.7
93.07024	4.5
95.04927	1.8
95.08582	4.1
97.02869	8.3
99.04440	1.1
101.02377	2.0
105.07042	2.5
107.08598	2.1
109.02876	0.6
109.10201	0.7
117.07044	0.5
119.08598	1.0
121.10099	0.9
127.03929	2.6
133.10121	0.8
145.10162	0.7
147.11763	0.7
185.04279	0.8
186.44571	0.6
203.05284	0.6
219.18652	0.5
243.08475	2.5
247.12997	0.7
303.15912	0.6
335.25854	0.7
347.09586	2.9
365.10419	1.0
376.10004	0.5
404.32602	0.6
405.13660	7.6
465.21011	5.6
470.84717	0.6
519.29071	5.6
627.25653	4.0
681.34448	5.6
743.43353	1.0
905.48511	100.0
906.48480	1.1
914.24030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43407	0.6
67.05498	5.1
67.96567	0.7
69.03405	3.5
69.07053	0.8
73.02905	5.2
75.08865	0.7
75.75207	0.7
75.79527	0.9
78.46648	0.7
79.05476	5.6
81.03407	1.9
81.07049	5.0
84.57815	0.7
85.02903	6.3
91.03954	1.9
91.05466	3.9
93.07028	4.3
95.08614	3.2
97.02886	7.2
99.04467	0.9
99.40775	0.8
101.02404	1.5
105.07022	3.3
107.08604	1.2
119.08602	1.6
127.03954	3.3
131.08545	1.1
133.10150	0.8
146.96558	0.8
147.11707	1.4
149.08553	0.9
175.26978	0.8
210.34415	0.8
223.38275	0.8
225.97292	0.8
243.08467	1.1
281.17676	0.9
303.15750	1.2
347.09531	1.7
377.37009	0.9
386.32547	0.8
405.08429	1.2
405.13583	9.8
465.20883	11.9
519.29248	4.3
520.29901	0.9
525.13916	0.9
537.00269	1.0
555.97070	0.9
581.09698	1.1
627.25763	6.2
681.34882	4.2
743.40778	0.9
905.48578	100.0
906.48737	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	904.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	51.1
69.07046	21.7
71.08601	31.9
73.02876	4.1
79.05479	34.3
81.07041	59.6
85.02882	23.6
85.10175	14.3
91.03893	11.5
91.05454	17.5
92.08650	10.7
93.07024	47.4
95.08591	60.7
97.02869	15.3
105.07010	13.7
107.08574	27.9
109.10151	35.2
111.11747	3.5
119.08566	4.7
119.28794	3.4
121.10105	7.9
123.11713	5.8
127.03910	3.6
131.08507	4.8
133.10115	15.8
135.11668	4.9
135.61230	3.6
139.71591	3.4
145.10123	5.8
149.13208	8.4
163.05934	5.3
196.58388	3.3
202.81908	3.3
243.20993	3.9
245.67104	3.7
261.22116	27.2
285.24203	100.0
335.25699	61.6
366.57095	3.6
449.33218	3.6
545.45630	34.7
563.46411	5.5
653.85742	4.6
746.61316	4.6
747.92535	4.1
750.72565	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	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.9
67.05492	48.6
69.03069	0.4
69.03413	6.4
69.07054	12.6
71.01342	0.4
71.04973	4.2
73.02902	4.3
76.11447	0.3
79.05473	42.4
80.05821	0.3
81.02697	0.5
81.03400	43.5
81.07037	51.9
82.07333	0.3
83.04963	11.7
83.08603	19.4
85.02889	29.7
85.06517	2.5
87.04472	0.4
90.13219	0.3
91.03938	6.8
91.05459	35.3
92.63544	0.4
93.07023	42.7
95.04326	0.4
95.04950	20.8
95.08584	36.8
96.04489	0.4
97.02867	9.4
97.06489	4.2
97.10139	3.6
99.04433	0.7
99.08089	1.3
103.05479	0.4
105.04504	0.8
105.07016	27.4
107.04945	5.8
107.08575	21.8
109.02869	0.5
109.06503	4.4
109.10143	11.7
111.04424	2.0
111.08057	7.5
113.05984	2.1
115.05438	1.6
115.84126	0.4
117.06992	5.9
119.08556	21.9
121.06482	0.8
121.10117	20.4
123.08041	2.8
123.11679	3.7
125.05910	0.4
125.09600	1.9
127.03913	1.7
128.06226	0.4
129.06993	8.8
131.08539	16.8
133.06479	2.4
133.10104	15.0
135.08025	0.5
135.11671	8.9
137.09613	1.5
137.13258	0.7
139.11067	0.4
142.07767	2.7
143.08589	0.6
145.04965	1.9
145.10106	7.4
147.08044	2.3
147.11665	15.5
149.09613	4.2
149.13217	4.2
151.11186	0.5
155.08525	0.4
157.10114	10.8
159.11694	3.0
161.13211	3.0
163.06015	1.9
163.11177	0.8
163.14815	1.5
165.12712	2.0
171.11641	0.8
173.13210	3.3
175.11154	9.0
175.14798	0.7
183.11598	0.4
187.14893	1.3
193.12198	24.7
211.13249	27.3
227.12883	0.4
243.21138	1.9
261.22034	7.0
267.15833	8.6
283.15558	0.5
285.16904	33.8
286.17270	0.6
301.25293	0.5
317.24579	2.4
335.25742	54.2
336.26068	0.6
369.95203	0.4
435.32428	1.7
453.33676	1.9
471.35019	0.7
481.63202	0.4
527.37201	12.2
545.38263	100.0
546.38519	3.3
563.39111	0.4
806.63855	0.4
917.76550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	2.2
67.05486	50.2
68.05796	0.4
69.03415	7.0
69.07050	15.7
71.04975	6.3
73.02898	5.5
75.82439	0.3
78.61829	0.4
79.05469	45.3
80.25526	0.4
81.03394	61.4
81.07031	58.1
81.07533	0.9
82.07349	0.4
83.04961	17.7
83.08594	25.3
85.02882	37.2
85.06521	2.3
87.04433	0.6
91.03938	10.0
91.04468	0.7
91.05455	40.9
93.07015	47.7
95.04940	25.1
95.08578	40.6
97.02868	11.3
97.06513	5.5
97.10133	6.0
99.04447	0.9
99.08081	1.0
103.05431	0.4
105.04503	1.0
105.07005	32.2
107.04926	6.4
107.08568	22.9
109.06494	5.7
109.10133	14.1
111.04435	2.7
111.08057	9.9
113.05989	2.0
115.03929	0.8
115.05439	1.7
117.06982	6.4
119.04900	0.5
119.08549	25.5
119.09383	0.9
121.06474	2.5
121.10107	21.9
123.08035	3.2
123.11669	4.6
125.09588	1.5
127.03872	3.0
128.06233	0.8
129.06969	11.6
130.07716	0.5
131.08536	18.9
133.06438	2.5
133.10097	15.5
135.08057	0.4
135.11653	8.0
137.09596	1.7
138.91278	0.5
141.06981	0.5
142.07733	3.0
143.08536	0.6
145.04976	2.6
145.10101	8.0
147.08003	3.7
147.11653	18.2
149.09584	6.7
149.13184	4.3
151.11147	0.5
153.12746	0.5
155.08530	0.9
157.10095	15.1
159.11636	3.8
161.13246	2.1
163.05966	1.9
163.11153	1.9
163.14812	0.9
165.12735	3.5
171.11665	0.5
173.13234	3.0
175.11131	14.8
175.14771	0.9
183.11629	0.5
185.13239	0.6
187.14832	0.8
193.12195	38.8
195.22021	0.5
201.16310	0.6
211.13243	45.3
227.12799	0.8
243.21030	2.9
261.22046	8.5
267.15863	9.0
285.16876	56.6
286.61633	0.6
298.48935	0.4
301.25363	0.6
309.23160	0.4
317.24725	1.0
335.25711	52.4
336.26108	1.0
380.78265	0.4
393.61508	0.4
435.32468	2.4
453.33578	1.0
471.34528	0.6
492.34891	0.5
509.36237	0.7
527.37183	13.5
528.37451	0.6
545.38226	100.0
546.38403	4.1
563.39490	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	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	77.9
68.67833	2.8
69.03401	5.2
69.07060	20.9
71.04968	5.7
71.08611	13.5
73.02903	4.5
76.56264	3.6
79.05473	64.7
81.03404	30.8
81.07038	79.2
83.01315	6.2
83.04962	15.9
83.08601	23.7
85.02882	23.8
85.10167	4.7
91.03934	14.8
91.05460	42.1
93.07025	66.8
95.04943	16.3
95.08588	53.7
96.85885	3.0
97.02866	15.4
97.06538	6.8
97.10165	3.5
105.07005	32.2
107.04936	18.0
107.08588	42.2
109.06495	20.3
109.10172	21.6
117.06973	17.2
119.08559	32.1
121.06485	4.7
121.10108	26.3
123.08083	5.1
125.09557	3.0
128.06314	3.4
129.06760	3.0
131.08528	18.7
133.10106	12.8
135.08032	4.3
135.11688	27.5
145.10074	26.5
147.11600	4.7
149.09546	2.6
153.12709	4.1
159.11685	3.3
161.13235	4.1
163.11186	29.6
173.09502	3.8
173.13234	4.0
176.55966	2.7
181.12257	3.1
209.11824	3.9
227.12750	6.4
243.21053	4.0
246.02348	3.1
261.22073	12.8
267.15918	17.1
268.16071	5.1
283.15381	81.1
284.32126	3.1
299.23636	5.4
313.27319	12.7
314.27670	6.7
335.25790	73.7
506.39078	4.5
524.40814	3.5
525.35114	4.4
543.36719	100.0
561.37677	6.7
642.20154	3.9
901.48907	4.0
902.53052	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	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.2
67.05136	3.4
67.05493	76.4
69.03412	4.7
69.07052	32.4
71.04961	3.1
72.87695	1.7
79.05473	66.5
81.03407	17.0
81.07040	100.0
83.04971	23.6
83.08611	23.3
85.02876	4.5
85.06519	2.6
91.05461	52.8
93.07027	49.1
94.68436	1.9
95.04953	40.8
95.08594	32.4
97.02863	9.1
97.06518	16.4
97.10143	31.5
99.04464	2.6
99.08080	2.6
101.89529	1.7
103.05399	2.0
105.07014	36.2
107.04957	28.3
107.08583	34.7
109.02841	2.6
109.06502	23.9
109.10148	32.6
111.04430	16.3
111.08047	12.9
116.04679	3.8
117.06993	28.3
119.08575	40.6
120.96709	2.1
121.06502	14.1
121.10133	21.4
123.04401	4.1
123.08039	22.5
125.09603	32.0
128.06174	3.4
128.38016	1.6
129.05440	12.5
129.06990	12.8
131.08549	21.9
133.06458	4.1
133.10129	18.7
135.08003	18.3
135.11693	13.0
137.09619	16.0
142.07732	2.5
143.06975	2.9
143.08525	9.7
145.06459	3.6
145.10063	18.4
147.08011	16.9
147.11661	10.2
149.09612	14.0
151.07634	2.2
153.09094	8.6
153.12776	3.9
155.08554	3.7
157.08661	4.2
157.10101	11.8
158.05800	2.0
159.08034	4.3
159.11667	8.6
161.09549	15.8
163.11148	21.4
165.09055	7.7
169.09935	1.9
171.10156	3.3
171.11594	4.2
173.09578	7.5
175.11154	8.6
177.12708	2.4
181.12227	4.5
183.11543	2.3
185.09592	2.2
189.11191	13.1
191.10597	4.3
193.12245	10.0
223.13139	7.2
227.12749	18.6
229.14384	8.1
245.19067	2.5
249.14832	3.5
273.18463	35.3
289.17941	4.4
291.19510	51.8
347.22021	15.4
353.24774	1.8
357.64557	1.8
363.21503	2.7
365.23206	31.9
374.32233	2.1
383.24173	13.0
399.23761	17.4
476.17288	2.3
519.33087	9.8
637.40704	4.3
655.41718	8.5
671.41339	7.2
673.43286	3.5
689.42480	16.7
695.72675	2.3
707.43146	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05491	70.1
69.03418	6.0
69.07051	19.1
71.01337	2.5
71.04973	7.4
71.08619	1.1
73.02905	9.5
78.29119	0.5
79.05475	65.3
81.03398	18.7
81.07038	74.5
83.01326	13.8
83.04966	17.8
83.08601	22.0
84.95542	0.6
85.02889	35.2
85.06526	2.5
87.04454	0.7
91.03941	16.7
91.05460	36.8
92.08694	1.2
93.07021	80.1
95.04935	15.5
95.08583	56.9
97.02871	19.9
97.06513	8.8
97.10156	5.9
99.04430	5.4
99.08062	2.4
103.05442	1.2
105.04524	0.8
105.07018	31.2
107.04937	12.9
107.08578	47.0
109.02893	1.0
109.06492	12.5
109.10142	21.9
111.04425	3.8
111.08061	5.5
117.05708	0.7
117.07001	16.4
119.08556	25.2
119.09389	1.1
121.06474	5.4
121.10117	29.0
123.08031	12.5
123.11661	6.2
125.05952	2.8
125.09644	5.6
127.03887	7.0
129.05519	0.7
129.06992	3.9
130.07747	3.0
131.08554	18.5
133.06424	0.7
133.10101	15.1
135.07997	3.6
135.11665	24.9
137.09630	3.0
137.13280	1.2
139.07489	0.8
143.08540	3.3
143.15524	0.6
145.04953	4.0
145.06476	1.0
145.10101	30.6
145.11218	1.1
147.08049	3.3
147.11700	6.8
149.09583	1.3
149.13254	6.7
153.12737	4.0
155.08516	1.5
157.10068	1.5
158.61932	0.7
159.11652	7.8
161.13231	5.7
163.05986	5.7
163.11150	33.3
163.12488	1.3
163.14787	4.0
171.11626	1.1
173.09573	5.0
173.13243	8.7
175.14801	1.5
177.16348	1.2
181.12259	3.8
185.13271	0.9
187.14847	4.0
189.11179	1.0
191.10712	4.1
193.12195	1.1
197.13065	0.7
201.16408	1.2
209.11722	8.4
219.17482	0.7
227.12727	13.2
233.22650	0.7
243.21071	4.1
259.20633	2.6
261.22046	15.7
265.14340	0.8
267.15887	1.5
268.16217	0.8
283.15344	100.0
284.15591	1.0
285.16815	1.1
299.23669	5.1
317.24731	3.3
333.24210	3.0
335.25739	70.6
433.30865	2.6
451.32156	4.6
469.32907	3.7
487.34155	1.4
506.39264	0.8
515.36877	0.9
525.35571	9.3
543.36700	73.3
544.37128	1.5
561.37671	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	901.476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	3.7
69.03416	2.4
71.08607	6.9
73.02902	6.8
79.05478	3.0
81.03379	4.0
81.07034	7.6
83.08601	1.8
85.02885	12.7
91.03968	7.4
91.05463	3.9
92.08545	3.3
93.07041	4.0
95.08589	3.1
96.32412	1.6
97.02873	9.7
101.02413	2.0
105.06978	2.8
109.10136	2.2
151.11186	1.8
167.76260	1.5
185.04181	2.3
212.31894	2.0
242.82196	1.6
260.01694	1.7
313.27438	3.5
347.09534	2.7
365.10382	2.1
405.13556	6.6
483.18121	3.9
497.30725	7.7
659.36041	8.5
901.47412	100.0
902.47272	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	1.9
67.05494	50.5
69.03407	5.4
69.07051	17.0
71.04967	2.5
71.08611	2.8
73.02905	2.1
79.05476	43.4
81.03410	12.9
81.07043	52.9
83.04967	5.2
83.08605	17.1
85.02887	9.6
85.06519	1.9
85.10160	1.4
87.04433	1.6
91.03965	3.1
91.05461	24.6
93.07024	63.5
95.04935	8.6
95.08589	64.8
97.02866	8.4
97.06495	6.7
97.10121	2.4
99.04432	2.9
100.21310	1.2
101.02393	1.2
105.07017	21.4
107.04932	9.6
107.08581	41.3
109.06544	2.4
109.10144	17.0
111.08132	1.3
112.38446	1.1
114.38023	1.2
117.07001	14.4
119.08570	16.9
121.06505	5.7
121.10125	21.5
123.07991	1.5
123.11719	2.3
125.05976	1.6
125.09566	1.5
129.06979	2.1
131.08549	9.8
133.10107	12.4
135.07928	1.9
135.11678	48.6
145.10112	31.5
147.11642	6.2
149.13243	2.0
157.10272	1.5
159.11662	2.4
161.13271	2.3
163.11150	53.5
173.13286	1.8
181.12221	7.5
184.07297	2.2
187.14719	1.5
193.12125	1.6
195.25221	1.2
209.11751	1.7
227.12756	52.4
261.22028	8.2
267.15839	1.9
268.16180	2.5
275.19913	1.5
280.07755	1.3
283.15350	42.0
313.27313	8.5
314.27704	7.0
335.25745	87.1
398.88681	1.4
505.38742	2.5
506.38931	2.9
543.36713	100.0
573.85773	1.6
801.62665	1.5
901.47131	2.3
902.48981	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	900.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.1
66.36882	0.5
67.05493	48.6
69.03407	1.0
69.07059	11.6
71.04977	2.0
73.02910	1.1
73.06512	0.6
74.24039	0.4
77.03896	1.0
79.05474	65.3
79.58025	0.4
81.03393	5.2
81.07039	50.1
83.04965	9.9
83.08604	6.7
85.02879	5.9
85.06514	2.0
91.03931	2.8
91.05461	45.8
93.07024	62.8
95.04950	17.0
95.08585	34.1
97.02889	3.7
97.06496	3.5
97.10175	4.0
99.08094	0.5
105.04536	1.0
105.07014	32.2
107.04945	5.2
107.08582	17.6
109.06516	5.0
109.10143	9.0
111.08074	0.6
115.05402	0.8
117.07001	8.6
119.08562	21.5
121.06482	0.9
121.10115	10.3
123.08038	4.0
123.11694	2.1
127.03921	0.5
128.06177	1.1
129.06973	11.4
130.07791	0.9
131.08524	5.8
133.06470	0.7
133.10114	10.0
134.87567	0.5
135.11685	6.7
137.09579	0.9
143.08546	7.7
145.10085	9.4
147.08060	1.0
147.11665	26.9
149.13261	2.5
159.11693	3.4
161.09610	2.3
161.13243	9.2
163.14825	0.7
169.10016	0.6
171.11667	15.8
173.13245	0.9
187.14900	0.7
189.12686	4.2
191.14362	0.6
207.13747	12.7
225.41196	0.5
243.21086	0.8
261.22070	3.7
279.15839	2.4
281.17426	43.9
313.27264	0.7
335.25729	36.6
416.45010	0.6
431.32452	0.5
463.75888	0.5
523.38745	0.7
541.38794	100.0
542.39136	2.8
559.39899	4.6
782.68481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76099	0.3
65.03928	1.9
67.05495	39.6
68.45153	0.3
68.78044	0.2
69.03412	0.7
69.07056	10.3
71.04982	2.0
71.08602	0.4
73.02927	0.5
73.06557	0.4
77.03890	0.4
79.05476	44.2
81.03412	4.0
81.07040	39.6
83.04969	6.4
83.08612	4.9
84.89605	0.3
85.02889	3.4
85.06524	1.5
90.34259	0.3
91.03930	2.4
91.05463	32.6
92.09395	0.6
93.07024	48.7
95.04946	11.7
95.08585	27.7
97.02850	2.3
97.06511	2.9
97.10162	2.1
99.04409	0.4
99.08081	0.6
103.05438	0.6
105.04498	0.7
105.07011	21.4
107.04937	2.8
107.07862	0.8
107.08581	16.5
109.06496	2.9
109.10140	8.3
111.08045	0.7
115.05431	0.5
117.06996	6.4
117.07759	0.4
119.08557	15.1
121.06479	1.5
121.10129	8.7
123.08071	3.5
123.11709	1.9
127.07518	0.4
128.06163	0.5
129.06972	7.5
130.07799	0.4
131.08554	5.4
133.10109	6.7
135.11673	6.4
136.62480	0.3
137.13200	0.5
143.08545	4.8
143.80403	0.4
145.04895	0.5
145.10098	6.8
147.08015	0.5
147.11676	15.9
149.13182	2.3
151.11159	0.3
156.09332	0.5
157.10059	0.5
159.11670	2.9
161.09630	1.7
161.13220	5.6
163.11188	0.6
163.14839	0.5
171.11656	9.5
173.13246	1.9
177.16464	0.4
189.12703	3.2
207.13760	5.9
243.21103	0.6
261.22021	2.7
279.15881	0.7
281.17419	17.6
317.24728	1.2
323.35818	0.3
335.25757	34.2
467.35254	0.4
507.40244	0.5
523.37897	0.4
541.38812	100.0
542.39246	2.8
559.39777	1.9
586.05865	0.3
656.17914	0.4
756.03357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
66.26121	1.5
67.05499	27.4
67.63673	1.4
69.03413	3.9
69.07047	16.4
71.08620	28.4
73.02901	7.6
76.00146	1.6
79.05471	20.5
81.03403	9.7
81.07041	29.6
82.42422	1.5
83.04961	9.8
83.08613	15.4
85.02904	19.9
85.06557	2.1
85.10179	15.7
85.10587	1.5
91.03925	4.3
91.05463	16.6
92.09327	4.9
93.07040	15.0
95.04948	9.6
95.08599	19.8
97.02852	14.6
97.06527	7.8
97.10149	11.0
98.07326	2.2
99.26881	2.0
105.07017	11.0
107.04952	7.6
107.08594	9.5
109.10152	13.7
111.04408	3.8
111.08133	3.0
116.04652	6.3
117.07006	3.5
119.08599	4.3
121.10126	2.8
123.11666	1.7
125.09644	9.6
129.05450	18.8
129.07008	2.4
131.08569	3.0
133.10120	4.2
135.11691	4.1
143.07001	3.1
145.10114	4.2
149.09647	3.0
157.08609	11.8
163.11197	7.0
173.09618	1.8
185.11687	2.4
189.11295	2.8
200.14072	1.9
209.11749	6.8
227.12831	8.3
230.07686	1.9
257.24869	2.1
267.15967	2.2
283.15399	23.1
301.16373	31.6
313.27338	81.8
367.28473	4.2
368.39636	1.8
511.34717	2.2
521.38251	22.9
539.39349	100.0
540.39673	2.2
736.71973	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	897.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.3
66.86130	0.3
68.99776	3.0
79.01835	0.3
81.03401	0.4
91.89253	0.2
95.04903	0.3
97.02837	0.5
107.04926	0.6
109.02863	0.4
111.00784	1.9
111.04436	0.6
115.05491	0.3
119.04864	0.3
121.02843	1.2
123.04404	5.4
125.02265	0.3
127.03910	5.3
131.04903	0.5
135.04393	6.1
137.02301	0.6
139.03879	19.6
143.03416	0.3
145.02794	0.6
145.06487	0.7
147.04395	1.7
149.02322	6.2
149.05983	0.6
150.03125	0.7
151.03870	3.3
153.01811	13.4
153.03000	0.6
153.06981	0.3
155.03342	1.3
155.04800	0.4
159.04378	1.8
161.02336	0.6
161.05942	1.3
163.02501	0.5
163.03873	13.3
165.01805	0.5
165.05402	0.4
167.03360	1.1
169.06392	0.4
173.02289	0.4
173.05968	1.6
175.02559	0.3
175.03842	2.1
177.01846	0.4
177.05453	2.4
177.96962	0.3
179.03387	2.8
181.06390	0.5
183.04417	1.5
185.05972	1.1
187.03825	2.6
189.05470	1.4
191.03358	7.1
193.04926	1.5
195.06606	0.3
197.05946	0.6
199.03819	1.0
201.05432	4.4
203.03369	4.2
203.06979	0.4
205.04849	2.5
207.02800	0.6
213.05391	2.6
215.03349	1.7
216.04318	0.4
217.04872	1.6
219.02869	4.6
221.06076	0.3
225.05357	1.0
227.07115	0.4
229.04916	9.5
229.07253	0.4
231.02873	0.6
233.04405	2.2
237.03749	0.6
239.03268	0.7
241.04955	2.4
243.02864	1.3
245.04408	5.8
247.03592	0.5
247.05965	10.4
251.05353	0.3
253.04866	0.7
255.06461	1.2
257.04388	28.7
258.04993	1.1
259.05920	6.8
261.03885	2.2
263.05402	1.1
265.04987	0.7
269.04321	1.5
270.05231	0.4
271.05890	4.0
273.03989	0.6
273.07547	1.3
274.04630	1.1
275.05396	5.0
275.77948	0.3
279.06360	0.4
281.04379	0.5
283.05972	5.1
285.03870	5.2
287.05392	4.8
289.06964	1.3
295.05927	0.5
295.34634	0.3
299.05432	1.3
301.03766	0.6
301.06897	4.8
303.04932	100.0
304.05240	1.0
309.03958	0.4
315.04874	0.5
323.05414	0.7
327.04962	1.4
331.06165	0.3
333.07526	0.3
345.07211	0.4
351.04700	0.5
360.69165	0.3
361.07104	0.4
377.06442	1.1
389.06461	1.4
393.05899	1.7
405.05859	0.7
407.07645	2.5
409.09000	1.1
411.06973	1.2
417.05875	0.3
419.07632	0.4
423.06860	1.4
425.08566	5.9
427.10214	5.8
429.08167	2.8
433.05276	1.3
435.06952	0.6
441.08231	0.3
443.09607	0.6
445.05496	0.4
447.06866	1.8
463.06302	0.5
465.07892	1.0
541.07202	0.3
549.10223	15.6
559.08484	4.1
573.09869	1.5
577.09595	1.1
589.09540	2.6
591.10864	0.5
678.65930	0.4
693.12384	0.3
711.13324	2.2
727.12653	6.7
745.13861	6.5
749.83655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22075	1.0
65.76051	0.9
67.05493	19.3
69.03418	4.1
69.07053	8.1
71.01353	1.1
71.08620	24.2
73.02905	4.0
74.63759	0.8
79.05470	7.6
81.03407	5.4
81.07041	25.3
83.04963	1.7
83.08607	20.6
85.02893	15.3
85.10172	14.7
89.06048	1.4
91.03927	8.8
91.05463	18.3
92.09317	1.7
93.07021	15.2
95.04943	4.3
95.08597	19.4
97.02863	12.2
97.06518	4.1
97.10158	5.9
99.00802	18.9
99.04478	0.9
105.07014	17.2
107.04953	6.8
107.08578	7.7
109.02869	10.4
109.06508	2.0
109.10150	13.9
111.04403	0.9
111.08079	1.8
113.05952	1.0
115.03908	1.3
117.07011	5.3
119.08565	10.2
121.02898	0.9
121.06495	6.4
123.11727	7.3
127.03890	6.5
129.06992	1.5
131.08549	1.8
133.06523	3.3
133.10115	36.1
135.11702	1.0
139.07495	1.8
142.51846	0.9
143.08539	6.0
145.04869	1.5
145.06586	1.0
151.11168	10.4
154.07512	0.9
161.09599	20.4
163.06049	1.4
171.08025	4.1
174.58430	1.1
179.10695	10.9
189.09085	10.9
197.11682	2.0
206.04338	1.0
207.10190	1.9
225.11208	12.5
243.12402	1.4
257.24750	3.7
281.13818	4.8
299.14844	100.0
313.27319	90.3
479.31787	1.2
537.37817	70.0
537.46124	2.3
736.90851	1.2
833.75043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	46.5
69.03399	4.2
69.07057	13.9
71.08610	21.4
71.55924	3.4
79.05467	30.2
81.03399	20.6
81.07031	52.0
83.04961	6.3
83.08598	23.3
85.02890	28.3
85.10182	8.2
91.03947	6.4
91.05458	18.8
92.09326	9.9
93.07037	27.7
95.04944	16.6
95.08598	34.5
97.02877	8.6
97.10153	18.0
105.07021	19.9
107.04930	15.2
107.08584	17.5
109.06477	4.1
109.10129	19.1
115.03823	3.9
117.06982	17.4
119.08571	7.7
121.06476	4.4
121.10155	4.3
123.08082	4.3
125.09606	15.7
131.08516	14.1
133.10155	7.6
135.11681	8.1
145.10071	5.0
158.14211	3.8
159.11699	14.5
177.12825	3.8
187.11107	4.6
205.12297	3.9
223.13263	55.6
227.12772	6.4
279.15884	33.0
297.16895	100.0
313.27402	72.4
387.70593	4.1
495.19101	4.2
535.39752	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	896.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47335	0.3
67.00687	0.3
67.05492	15.7
69.03419	3.0
69.07053	9.1
71.01306	0.8
71.04947	1.7
71.08614	25.2
73.02885	3.9
74.64860	0.3
79.05468	6.7
81.03410	3.9
81.07037	24.6
82.46809	0.4
83.01263	0.4
83.04918	2.4
83.08604	16.5
85.02364	0.4
85.02884	14.2
85.06490	1.5
85.10164	17.0
87.04371	0.4
89.05972	1.9
91.03935	8.5
91.05454	16.7
93.07014	11.9
95.04973	2.9
95.08582	21.6
97.02866	11.5
97.06509	2.6
97.10145	6.4
99.00793	18.2
99.04390	1.7
99.08020	0.4
99.11687	0.8
101.02338	0.6
103.05388	1.6
103.07510	0.6
105.07013	13.1
107.04927	5.5
107.07993	0.3
107.08572	6.2
109.02864	9.7
109.06457	2.2
109.10135	12.0
111.04392	1.4
111.08060	4.0
111.11697	0.8
115.03899	2.8
117.06987	2.6
117.09170	0.5
119.07839	0.5
119.08559	7.9
121.02820	0.6
121.06478	6.8
121.10107	0.8
123.04361	1.9
123.08032	0.4
123.11677	5.3
125.09624	0.4
127.03868	6.2
128.06195	1.3
129.06953	0.7
131.08517	1.7
133.06444	1.8
133.10104	36.1
135.07982	1.6
135.11629	0.7
137.05923	0.8
137.09573	1.5
137.13225	0.7
139.07530	3.1
141.05435	0.5
143.08556	6.2
145.04901	1.7
145.06462	1.3
146.07202	0.4
147.07977	0.9
151.10114	0.5
151.11168	10.5
153.06964	0.4
161.09587	19.2
163.05933	2.2
163.11151	0.4
165.09027	0.8
171.08041	3.9
179.10622	10.6
189.09088	10.2
197.11662	3.9
207.10233	3.2
225.11159	10.0
239.23657	1.9
243.12059	1.6
251.61203	0.4
257.24591	2.8
275.25897	0.4
281.13791	2.2
288.30637	0.4
299.14828	71.0
300.15240	0.5
309.31946	0.4
313.27307	100.0
314.27505	0.5
353.73386	0.4
354.11237	0.4
356.66599	0.4
382.26791	0.4
537.37750	98.0
538.38190	1.4
717.56573	0.4
878.20404	0.4
896.45825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54015	1.7
67.05502	33.9
69.03428	4.0
69.07061	13.6
69.85548	1.7
71.08627	22.8
73.02881	3.3
73.59380	1.9
79.05469	21.6
81.03413	11.2
81.07045	25.8
83.04948	2.1
83.08614	13.3
85.02899	15.5
85.10188	12.9
91.03925	2.6
91.05456	13.8
93.07027	16.1
95.04971	13.6
95.08585	22.5
97.02873	9.0
97.10164	16.5
105.07012	12.7
107.04945	4.4
107.08595	10.8
109.06491	3.4
109.10163	16.5
117.06992	3.6
121.10110	3.0
125.09621	4.6
127.03890	3.2
131.08571	4.6
189.11345	2.5
223.13278	36.8
227.12871	3.8
297.16916	50.7
313.27374	63.0
343.84546	2.9
467.37192	3.9
535.39874	100.0
553.41949	3.5
590.15625	2.4
726.00458	3.0
748.91467	2.6
782.39044	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	892.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15903	2.2
67.05499	100.0
68.32024	2.5
69.03430	3.3
69.07071	18.7
71.04957	4.2
75.91232	2.3
79.05477	38.5
81.03396	4.5
81.07040	79.7
83.04942	6.4
83.08589	17.3
91.05454	41.9
93.07029	43.9
95.04929	4.1
95.08588	29.9
97.06494	12.7
97.10146	11.2
105.07006	35.4
107.04927	6.4
107.08588	48.9
109.06514	6.2
109.10143	71.9
111.08081	4.5
117.06989	16.3
119.08566	23.6
121.10110	17.1
123.11697	5.0
125.09604	6.2
131.08542	17.8
133.10124	21.8
135.08046	5.5
135.11658	11.4
137.09572	4.8
145.10091	12.2
147.11627	11.6
149.09569	4.8
149.13242	15.4
151.11134	2.7
159.11665	16.3
163.11136	3.2
173.11690	17.1
173.13162	4.8
187.53549	2.8
227.12863	3.7
229.14333	30.5
269.17493	13.5
275.19971	32.4
284.28351	3.2
349.23712	18.6
367.24738	6.5
383.24158	11.4
420.22955	2.9
423.27414	30.1
463.30240	11.6
503.33487	28.4
521.34546	5.5
523.16425	3.0
543.36877	35.9
561.37616	12.6
567.31451	6.2
607.36041	3.6
623.43024	10.4
641.43701	15.8
912.66705	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	890.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68394	2.1
64.33629	2.2
65.03944	2.6
67.05493	100.0
69.03413	6.0
69.07056	44.4
71.04983	2.4
79.05471	54.7
81.03413	15.6
81.06591	4.9
81.07040	82.8
83.04971	12.5
83.08590	21.6
85.06529	5.8
88.98474	2.2
89.64036	2.3
91.05460	52.2
92.09436	3.3
93.07028	55.2
95.04936	18.6
95.08585	39.9
97.02911	3.4
97.06512	21.5
97.10131	8.8
105.07006	44.2
107.04947	13.5
107.08586	34.5
109.06511	9.1
109.10139	39.2
111.08102	5.2
115.05406	3.5
117.07018	18.6
119.08572	27.9
121.06480	3.0
121.10087	18.0
123.08035	2.5
123.11691	2.6
125.09612	5.3
129.06978	5.6
130.89937	2.4
131.08536	19.1
133.10120	18.9
134.15245	2.5
135.08061	5.4
135.11682	10.5
137.09610	5.0
141.07045	2.4
143.08522	2.6
145.10114	16.3
146.93462	2.4
147.11697	12.0
149.09637	16.3
149.13281	5.9
151.11218	4.0
155.08498	2.2
157.10106	5.6
159.11662	10.8
161.09612	3.6
163.11191	9.8
169.10097	3.6
171.11661	3.6
173.11688	9.5
173.13211	4.5
175.11101	3.1
175.97850	2.5
177.12758	3.2
181.50150	3.0
183.11650	3.2
184.07341	5.4
185.09554	2.3
229.14330	16.0
236.16646	2.5
252.81354	2.7
257.18881	3.8
269.17322	9.3
275.20020	32.5
291.13138	2.7
315.10056	2.4
349.23627	25.8
359.40915	2.4
383.24149	9.1
389.93741	2.6
402.37112	2.9
415.28940	2.7
423.27310	10.5
503.33524	5.7
543.36182	8.8
597.47083	2.8
614.24902	3.0
623.42670	8.9
912.92816	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	890.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.8
67.05496	90.4
68.10202	3.0
69.03410	3.7
69.07067	27.0
71.04974	3.6
79.05482	59.9
81.03403	15.7
81.07039	100.0
83.04960	20.7
83.08604	23.4
91.05460	48.3
93.07034	57.6
95.04955	19.4
95.08572	33.0
95.79444	2.8
97.06512	8.0
97.10161	24.2
100.02697	3.0
105.07008	42.0
107.04947	13.4
107.08579	42.1
109.06510	8.0
109.10144	39.8
111.04407	16.8
111.08083	15.7
114.36711	3.2
117.07005	17.1
119.08562	31.4
121.06513	12.8
121.10114	26.4
123.08018	23.8
125.09618	22.1
129.07030	4.6
131.08569	22.8
133.10133	14.5
135.08041	5.9
135.11678	7.3
137.09518	3.4
143.08546	6.9
145.10126	28.7
147.08049	6.7
147.11714	6.8
149.09612	5.8
153.12793	4.8
157.10143	7.0
159.11699	6.0
161.09608	13.3
163.11183	15.6
165.09026	6.5
171.11699	4.6
173.09616	3.9
175.11227	5.5
177.12749	4.2
181.12288	3.7
185.13257	5.1
189.11275	7.5
193.12297	3.9
227.12776	13.6
229.14336	17.9
269.17523	7.5
273.18396	22.9
275.20038	19.0
285.14328	3.3
291.19516	50.5
347.21817	3.4
347.26227	3.2
349.23666	18.4
365.23334	29.2
367.24542	6.7
383.24237	5.8
519.32672	24.9
537.34082	5.0
541.34741	6.0
559.36005	31.6
577.37097	16.9
621.40656	5.0
639.42578	30.0
657.42981	19.2
675.44092	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	890.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42593	2.6
66.85708	2.3
67.05497	68.1
67.50876	2.5
69.03403	4.0
69.07053	25.6
71.04990	3.0
72.95552	2.7
79.05467	36.3
80.23214	2.4
81.03384	5.8
81.07038	69.5
82.31931	2.3
83.04968	5.4
83.08611	4.3
85.02924	9.3
88.96942	3.1
90.73573	2.6
91.03957	3.7
91.05466	50.5
93.07024	44.9
95.04974	13.9
95.08593	34.1
97.02869	6.2
97.10156	4.1
105.07014	52.3
106.64449	2.5
107.08568	44.0
109.02853	2.5
109.06510	10.5
109.10145	57.2
117.07020	4.4
119.08580	15.8
121.10130	14.1
123.11672	14.0
125.09541	2.7
127.07584	3.0
131.08560	12.5
133.10114	83.5
133.10989	3.0
135.11716	5.0
136.55658	2.3
145.10152	6.2
147.11751	3.0
151.11172	33.9
157.54050	2.6
169.12222	5.6
173.13211	3.2
230.15950	2.7
253.14301	100.0
256.77472	2.7
261.22067	11.5
271.15347	33.4
275.20084	3.9
335.25693	28.9
513.35809	18.1
531.36792	59.2
675.40063	3.0
707.48187	3.0
890.48700	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	890.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98232	2.4
65.03937	2.1
66.38445	2.4
66.73227	2.3
67.05492	76.3
69.03426	3.6
69.07049	25.5
69.95010	2.6
71.04961	3.8
73.02907	2.8
79.05481	77.9
81.03395	6.0
81.07046	58.6
83.04980	10.4
83.08607	10.4
85.02884	11.1
85.06522	3.4
91.03937	3.1
91.05457	76.9
92.64671	3.0
93.06486	4.8
93.07029	100.0
94.15470	2.3
95.04942	11.3
95.08591	36.3
97.02885	3.3
97.06519	15.9
97.10162	10.3
99.08092	3.1
105.07014	68.3
107.08588	51.6
109.06480	3.1
109.10137	22.2
117.06998	20.9
119.08566	56.5
121.10139	22.2
129.06985	11.1
131.08536	25.2
133.10086	43.1
135.11694	50.1
143.08577	6.3
145.10121	28.9
147.11665	33.0
149.13272	5.0
157.10139	11.0
159.11626	14.5
161.13254	24.0
163.11177	5.2
163.14780	3.4
171.11662	11.3
173.13206	5.0
175.14780	5.7
181.12158	3.8
185.13234	4.2
187.14980	3.1
241.19539	18.5
253.14188	5.0
255.15828	55.6
259.20526	53.3
268.67987	2.5
333.24200	25.6
350.23920	2.5
513.28564	4.3
513.35706	75.7
531.36865	27.2
563.86481	2.9
879.84326	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	890.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05494	54.4
69.03417	4.9
69.07059	17.0
71.04977	3.9
73.02896	2.6
77.03902	1.1
79.05479	38.1
81.03396	4.8
81.07037	57.6
83.04971	9.2
83.08607	4.2
85.02895	11.5
85.06538	5.5
91.03925	6.8
91.05458	39.4
91.06002	1.8
92.08535	1.9
93.07025	41.9
93.26225	1.1
95.04961	7.6
95.08584	21.9
97.02869	5.1
97.06524	5.0
99.04417	2.0
105.07015	40.2
107.08583	37.4
109.06516	5.8
109.10146	63.0
111.08116	1.2
113.05999	1.8
114.14264	0.9
117.07014	6.1
119.08576	9.1
121.10115	12.6
123.11660	10.8
123.12396	0.9
126.26704	1.0
129.07004	1.5
131.08534	8.5
133.10107	72.8
135.11707	5.6
143.08623	1.3
145.10092	5.5
147.11615	1.7
149.13261	4.2
151.11156	32.9
159.11649	1.6
161.13226	1.1
169.12218	4.8
173.13252	1.4
210.14536	1.0
215.18242	1.1
225.74982	1.0
243.21100	1.7
253.14299	100.0
261.22092	10.1
271.15326	21.3
271.90018	1.1
279.23294	1.4
335.25739	46.2
513.35699	10.2
531.36761	76.7
549.37402	1.7
676.56964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55217	1.7
65.03922	3.1
67.05146	4.0
67.05495	95.6
67.62366	1.5
69.03417	8.1
69.07058	34.8
69.94590	1.6
70.24918	1.5
71.01294	1.9
71.04979	17.9
71.87792	1.8
76.72645	1.8
79.05476	74.4
81.03421	19.8
81.07040	100.0
82.07350	2.8
82.82167	1.9
83.04959	14.8
83.08614	17.2
85.02885	3.4
85.06539	2.7
88.50053	1.6
91.05466	60.5
93.07027	80.0
95.04950	20.5
95.08583	47.0
97.02866	3.9
97.06522	22.3
97.10133	11.8
99.08099	3.4
105.07016	59.6
107.04936	8.6
107.08580	46.8
109.06499	11.8
109.10147	28.7
111.08076	9.7
117.06987	24.8
118.25559	1.8
119.08564	36.5
121.06488	10.0
121.10123	21.2
123.04427	3.0
123.08059	9.0
123.11672	7.7
125.09592	8.0
127.03867	1.9
128.06174	2.8
129.07002	11.2
131.08540	33.8
133.06461	4.3
133.10110	31.2
135.08025	7.2
135.11694	21.7
137.09622	4.1
142.07715	2.7
143.08542	11.4
145.06404	2.8
145.10107	24.8
147.08064	7.4
147.11691	15.7
149.09605	13.2
149.13251	11.9
151.11108	2.1
155.08572	7.4
157.10115	9.5
159.11681	18.3
161.09570	2.6
161.13246	2.9
163.11156	9.5
164.02827	1.8
169.10139	7.7
169.25394	1.8
171.11647	3.4
173.09599	2.2
173.11856	2.6
173.13271	2.7
177.12741	3.4
179.14200	2.3
183.11681	3.8
184.39243	2.4
185.13297	3.6
187.14793	2.1
189.11061	2.9
195.11726	2.4
195.13734	3.7
197.13237	3.6
209.13263	2.8
215.14404	2.0
227.12628	6.9
229.14288	6.6
247.20534	2.1
255.15709	3.8
257.18961	10.2
269.17496	18.2
275.20016	23.9
289.18384	1.9
349.23517	24.1
365.23352	2.3
367.24527	3.0
423.27505	14.7
445.29453	7.5
449.28864	12.6
451.31735	2.4
463.30658	18.6
503.33649	3.8
522.72028	2.0
525.35504	10.0
529.35034	3.9
543.29095	3.6
543.36786	52.6
561.38239	12.9
561.46246	2.2
575.39240	3.3
607.34546	11.2
623.42889	8.9
639.41742	3.5
657.44421	2.4
673.42694	2.0
736.88354	2.3
888.51764	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	888.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42523	2.8
67.05494	100.0
68.05846	3.6
69.03421	6.4
69.07059	45.7
71.04968	15.4
71.08637	3.0
79.05477	78.4
81.03385	20.5
81.07036	84.2
83.04964	8.5
83.08608	20.6
85.02897	8.1
85.06537	4.0
91.05465	81.3
93.07021	72.8
95.04961	16.1
95.08590	52.7
97.02826	4.2
97.06489	7.8
97.10117	13.6
99.04427	4.0
105.07019	66.3
107.04943	6.0
107.08591	31.8
109.06490	8.3
109.10152	27.0
111.04382	3.4
111.08086	7.5
117.06981	27.5
119.08578	41.3
121.10123	20.5
123.08022	4.7
125.09649	4.7
129.06976	7.9
131.08521	36.4
133.06483	4.6
133.10107	36.8
135.08037	4.6
135.11652	16.4
141.06947	3.4
143.08554	17.5
145.10127	28.3
147.11688	21.3
149.09612	16.6
157.10097	12.8
159.11690	15.0
161.13231	3.5
163.11153	6.9
171.11693	6.0
173.11752	3.9
173.13179	6.3
177.12813	4.3
183.11662	5.4
185.13306	6.1
205.10233	4.0
229.14223	14.0
253.14143	4.2
259.20593	6.9
269.17368	4.3
275.19986	19.4
291.19662	3.5
293.21039	5.0
313.17688	3.8
349.23566	5.0
382.69424	3.8
463.30524	4.0
493.56439	4.1
527.37128	8.4
543.36658	7.4
607.44293	4.9
887.50208	4.2
888.50751	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	888.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.9
67.05143	3.3
67.05494	99.1
69.03403	9.0
69.07050	41.3
71.04977	19.6
73.02908	3.0
79.05477	86.0
81.03403	16.8
81.07037	100.0
83.04964	16.8
83.08618	17.1
85.02879	3.1
85.06517	7.1
91.05460	67.4
93.07027	73.3
95.04951	22.6
95.08585	42.3
97.02868	9.3
97.06519	25.9
97.10137	13.7
97.47926	1.9
105.04504	2.4
105.07018	68.4
107.01673	1.8
107.04939	18.6
107.08578	51.3
109.06490	15.2
109.10147	32.6
111.04430	4.1
111.08069	13.3
114.37154	2.0
117.07003	22.0
118.74690	1.9
119.08549	38.9
121.06484	8.5
121.10139	22.8
123.08005	3.8
123.11671	3.9
125.09612	12.2
127.03916	2.3
129.06937	14.0
131.08539	30.8
133.06441	2.6
133.10115	41.0
135.08025	10.3
135.11658	15.5
136.92476	1.7
137.09563	8.4
141.06964	4.0
142.07762	2.9
143.08549	11.2
145.06494	4.1
145.10121	28.0
147.08002	2.6
147.11674	15.7
149.09595	13.0
149.13217	12.5
151.11172	2.5
153.12738	2.0
155.08543	8.5
157.10101	9.2
159.11641	19.6
161.09589	9.4
161.13174	2.2
163.11172	14.6
165.12674	2.4
169.10150	6.6
171.11700	10.8
173.09595	1.9
173.11734	4.1
173.13200	3.0
175.11185	2.8
177.12772	2.7
179.14238	2.8
181.10068	2.1
183.11609	7.1
187.11203	3.7
189.11246	3.5
193.12263	3.6
195.11548	2.4
197.13301	2.5
199.64285	1.9
227.12567	2.3
229.14241	10.0
247.20419	2.2
255.15784	4.1
257.18924	4.2
269.17383	15.2
273.18573	2.1
275.20062	27.1
279.15457	2.5
291.19482	7.4
346.71716	1.9
349.23660	25.4
365.22977	7.8
399.43414	2.1
423.27109	13.6
445.29276	3.7
449.28882	7.0
463.30661	13.0
503.33322	8.5
521.34546	3.6
525.35815	6.9
529.35175	27.1
543.29224	2.1
543.36707	34.4
559.35406	2.4
561.37274	7.9
575.38641	2.4
623.42212	7.4
641.43860	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	888.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.8
67.05495	53.2
69.03423	5.2
69.07055	26.7
71.04975	4.2
73.02905	1.1
79.05478	62.8
81.03405	19.1
81.07040	100.0
82.84732	0.8
83.04969	21.7
83.08603	24.0
85.02895	4.6
85.06533	2.1
85.44339	0.7
91.05462	42.1
91.06001	1.9
92.09206	1.1
93.07026	50.8
94.04150	0.9
95.04947	27.4
95.05515	1.3
95.08585	25.2
97.02878	1.9
97.06512	11.9
97.10146	35.8
99.04440	1.5
99.08079	2.1
103.05453	1.8
105.03349	1.2
105.07017	36.9
107.04948	26.9
107.08581	33.6
109.02911	1.2
109.06499	15.4
109.10155	16.3
111.04436	18.4
111.08075	11.5
111.30187	0.9
112.69706	0.9
113.84981	0.9
115.05456	3.7
116.06195	0.9
117.06998	20.1
119.04881	0.9
119.08566	39.3
119.09396	1.8
121.02926	0.9
121.06483	11.9
121.10136	15.4
123.04411	1.2
123.08051	34.6
123.11706	3.5
125.05975	1.9
125.09602	26.7
128.06204	5.7
129.06987	12.0
130.07692	1.3
131.04903	2.0
131.08545	23.4
132.05707	1.1
133.06453	7.9
133.10106	15.6
135.08058	11.2
135.11678	13.2
137.09598	9.7
139.11238	1.3
141.06976	1.4
142.07780	1.7
143.08562	11.6
145.06493	5.6
145.10098	26.1
147.08034	16.6
147.11688	7.4
149.09613	11.3
149.13231	2.0
153.09109	5.2
153.12746	9.0
155.08545	3.8
157.06487	1.5
157.10078	9.6
159.08012	5.1
159.11646	8.7
161.09589	17.6
163.11148	25.6
165.09045	5.9
165.12643	1.2
169.10117	3.3
171.10321	1.1
171.11600	6.0
173.09593	7.6
175.11160	7.7
177.12755	4.7
181.10201	1.2
181.12193	8.8
183.11656	1.1
185.09610	1.5
185.13274	4.1
187.11168	1.5
189.11215	17.5
189.12746	2.7
191.10724	6.0
193.12193	5.7
197.13217	1.0
199.11241	1.3
199.14716	1.1
201.58946	0.9
203.10699	1.5
203.14366	1.2
209.13332	1.3
211.13217	1.2
213.12578	1.0
223.13281	1.9
227.12717	16.8
227.14763	0.9
227.17763	1.6
245.18991	5.8
249.14838	4.0
255.17371	4.4
263.20108	1.1
267.15933	1.2
273.18448	44.7
283.15372	1.9
291.19498	74.8
309.20349	7.6
313.83209	0.9
347.22055	15.9
365.23193	52.1
383.24249	28.5
484.75223	0.9
535.32031	4.0
557.34369	1.4
563.36902	1.1
573.33704	1.1
581.37610	1.8
619.39630	1.2
637.40900	19.8
655.42010	44.0
673.43036	28.8
691.44116	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	887.513
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33091	1.6
67.05517	8.0
69.03417	1.8
69.07059	2.1
73.02523	1.6
73.02924	2.3
77.10097	1.5
79.05487	8.7
79.08041	1.5
81.03404	2.0
81.07060	11.5
81.08311	1.4
83.08679	1.6
85.02923	7.1
91.03974	1.9
91.05497	9.1
93.07053	7.2
95.08588	2.5
95.69388	1.7
97.02898	4.3
101.02368	2.0
105.07049	7.9
107.08626	2.0
109.10199	3.2
117.06987	2.3
131.08566	3.1
142.80789	1.6
146.20267	1.7
158.35997	1.8
239.57533	2.1
243.08401	1.9
259.10733	2.0
320.70178	1.7
381.26477	1.9
419.21082	2.2
472.70374	2.3
551.28528	2.6
887.51147	100.0
888.51276	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	888.53
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93026	2.1
65.03922	2.4
67.05497	93.5
68.07239	2.0
69.03417	9.9
69.07058	44.7
71.04977	5.6
73.22870	2.3
79.05060	2.3
79.05476	79.0
81.03400	17.3
81.07041	100.0
83.04961	17.2
83.08620	17.7
85.02894	5.7
85.06541	3.1
91.05463	67.9
93.07017	71.3
95.04951	21.0
95.08584	45.0
97.02888	9.3
97.06515	17.6
97.10143	23.0
99.04451	2.3
105.07020	52.1
107.04950	19.5
107.08587	45.7
109.06522	12.9
109.10146	35.0
111.04420	5.8
111.08086	5.1
116.06302	2.6
117.06980	24.7
119.08562	36.8
121.06504	10.0
121.10125	19.3
123.08044	17.6
123.11714	3.1
125.09595	13.2
129.06984	14.0
131.08551	33.3
133.10104	25.7
135.08020	4.6
135.11665	16.5
137.09634	12.6
141.06978	4.4
143.08554	10.7
145.06462	3.9
145.10126	27.6
147.08052	10.6
147.11694	12.4
149.09595	19.2
149.13274	5.6
151.11270	2.3
153.09209	2.5
155.08553	3.1
156.39381	2.3
157.10112	8.4
159.11662	14.9
161.09605	4.4
161.13190	4.5
163.11130	12.1
165.06885	2.3
165.09036	3.1
167.08470	2.8
169.10107	4.6
171.11676	9.9
173.11790	3.1
173.13184	3.1
177.12770	3.8
178.56113	2.2
183.11629	3.4
184.07521	2.9
189.11183	5.2
193.12105	3.1
227.12721	14.0
229.14360	9.7
255.15575	3.5
257.18927	4.6
269.17456	5.1
273.18494	14.5
275.20032	22.5
289.18057	2.5
291.19458	25.9
347.22217	3.6
349.23627	20.8
365.23199	4.6
399.23453	4.7
423.27368	3.9
463.30322	5.4
465.23734	3.1
477.51419	2.7
503.33463	4.5
519.33063	4.3
529.35394	4.6
543.36322	16.0
621.40826	3.6
639.42017	13.5
641.44421	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	887.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04816	0.5
63.06694	0.6
67.05496	5.8
69.03431	5.8
69.07054	3.8
71.01347	0.8
71.04971	0.7
71.08610	2.4
73.02905	8.1
75.04890	0.5
79.05461	4.4
81.03402	5.8
81.07037	6.2
83.04983	0.7
83.08617	3.3
83.89509	0.6
85.02896	10.5
85.10159	0.9
91.03925	5.8
91.05470	6.8
93.07031	3.8
95.04944	1.1
95.08588	4.3
97.02882	9.1
97.06481	0.6
97.10162	0.8
99.04486	1.0
101.02355	2.6
105.07018	3.2
107.04938	1.0
107.08614	3.2
109.02916	1.2
109.10165	2.6
119.08585	3.6
121.10139	1.1
126.38710	0.6
127.03052	0.6
127.03925	3.0
129.06989	0.6
131.08549	1.1
133.10136	1.4
135.11649	0.6
147.11771	0.7
157.10126	0.9
179.28693	0.6
193.12376	0.9
195.21617	0.6
195.88797	0.6
240.83638	0.6
243.08505	2.8
251.12592	0.8
267.15918	2.7
294.64542	0.6
313.27472	3.2
335.25620	0.9
347.09518	2.5
365.10568	1.3
370.71436	0.6
405.13641	7.8
455.33957	0.6
469.20563	6.9
497.30746	9.3
528.37781	1.0
574.40869	0.7
631.25482	4.3
659.36078	9.0
696.68805	0.6
725.44257	2.2
750.28528	0.7
887.49597	100.0
888.50177	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	886.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	20.5
69.03408	6.2
69.07038	5.6
71.04970	3.0
79.05476	24.7
79.45788	1.0
80.68696	1.0
81.03403	100.0
81.07035	23.9
83.04982	11.2
83.08613	22.3
85.02889	15.9
85.06501	1.6
90.84143	1.1
91.05459	34.5
93.07020	17.7
95.04954	34.9
95.08581	10.6
97.02866	2.5
97.06495	2.4
97.10153	9.9
105.07019	21.4
107.04943	11.3
107.08577	8.5
109.06499	7.7
109.10137	5.3
111.04440	2.1
111.08092	9.7
117.06968	2.4
119.08562	21.4
121.06477	6.0
121.10138	11.9
123.08086	1.7
125.09615	5.2
129.06993	16.3
131.04840	1.5
131.08556	15.0
133.06464	8.0
133.10091	12.0
135.11665	1.8
137.02274	1.9
137.09618	2.0
142.07784	2.1
143.08551	2.6
145.06468	8.0
145.10118	5.5
147.08061	5.8
147.11653	12.4
149.09590	8.0
151.11116	1.3
157.10112	15.7
159.07938	1.5
161.09515	1.3
162.06729	1.1
163.03842	1.7
163.11128	1.7
165.12785	1.9
175.11177	15.4
176.55083	1.4
187.11148	1.3
193.12202	42.6
211.11501	2.1
211.13225	13.7
246.07047	1.2
249.14851	2.5
267.15872	80.0
273.14868	9.3
285.16898	8.1
309.66757	1.4
311.25940	1.9
341.21082	1.6
349.21429	1.5
367.22607	7.3
382.59601	1.3
385.23624	8.0
418.51279	1.4
433.25714	14.2
441.26352	5.7
459.27322	80.3
477.28448	50.6
585.30115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68061	1.3
65.03928	2.9
65.25835	1.4
67.05496	61.5
67.78577	1.4
69.03414	7.8
69.07054	45.1
71.04970	4.1
74.76728	1.6
79.05481	79.6
79.10302	1.5
81.03392	18.9
81.07040	100.0
83.04983	23.5
83.08611	34.3
85.02903	8.2
85.06544	1.9
86.09681	1.9
91.05462	50.8
92.09411	3.9
93.07020	56.1
95.04951	30.1
95.08601	29.3
97.02863	3.6
97.06519	14.0
97.10150	40.7
99.04437	2.5
103.05415	1.9
105.07011	47.0
107.04950	28.6
107.08591	36.8
109.02870	6.9
109.06516	22.1
109.10162	14.4
111.04427	19.0
111.08078	10.7
116.94839	1.8
117.06988	26.4
119.04952	1.9
119.08566	40.6
120.36062	1.8
121.06488	22.9
121.10131	22.4
123.04449	3.7
123.08064	29.5
123.11705	2.0
125.09600	28.4
129.07021	13.2
131.08546	23.1
133.06471	9.1
133.10098	21.6
135.08041	21.7
135.11656	12.8
137.09590	9.1
139.07536	2.2
142.07704	2.5
143.08553	10.9
145.06444	9.8
145.10123	23.8
147.08012	16.6
147.11673	9.2
149.09642	12.6
153.09109	7.5
153.12769	7.7
155.08653	1.9
157.10144	10.2
159.08034	8.8
159.11699	7.5
161.09601	19.4
161.13243	2.6
163.07556	7.8
163.11131	18.4
165.09131	7.2
169.10059	4.3
171.08118	1.7
171.11627	3.5
173.09637	7.4
175.11115	6.3
179.10684	2.2
181.12238	8.6
183.11646	2.7
184.07410	3.3
185.13240	3.2
189.11218	15.2
189.12764	3.0
191.10678	3.8
193.12212	24.0
223.13197	2.2
227.12747	14.8
227.18030	2.9
243.17508	2.6
245.18887	2.2
261.18304	2.5
271.17053	2.1
273.18445	31.8
283.15588	2.3
289.18021	20.0
291.19464	54.1
307.19162	3.2
309.20621	6.5
347.22366	5.6
363.21558	7.6
365.23102	26.3
381.17993	3.2
381.22653	66.6
383.24149	19.1
421.17847	1.8
458.82489	2.0
573.34229	4.1
607.34644	2.6
635.39252	2.0
653.40302	27.7
671.41565	71.9
689.42480	41.3
707.34174	2.0
743.99146	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	885.481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98511	0.7
67.05486	9.0
68.05851	0.8
69.03425	7.3
69.07069	4.9
71.08620	6.5
72.08988	1.2
73.02907	7.1
79.05479	5.6
81.03416	4.3
81.07032	11.2
81.07404	0.8
83.04978	1.5
83.08636	4.6
85.02904	12.2
85.10200	4.2
91.03954	6.6
91.05486	3.5
93.07055	3.6
95.04971	1.1
95.08593	10.2
97.02872	10.9
97.06530	1.2
97.10175	3.4
101.02376	3.3
105.07050	4.5
107.08622	2.0
109.02848	1.4
109.06516	0.9
109.10142	7.3
110.03636	0.8
117.07000	1.2
119.08544	2.9
121.10148	1.4
123.11674	0.8
127.03963	3.4
131.08556	1.0
135.11676	1.0
145.10170	1.6
159.11630	0.9
163.11241	1.3
169.10008	0.8
229.14407	1.6
242.17091	0.9
243.08467	1.8
269.17682	1.2
275.20132	1.4
276.20447	1.0
295.37900	0.8
313.27240	7.5
314.27747	1.7
347.09610	3.1
389.30090	0.9
405.13538	7.4
467.18906	6.9
467.37027	1.3
468.37885	1.5
497.30884	7.5
507.40656	3.3
508.41074	3.3
588.47064	3.3
629.24207	1.9
659.36096	9.8
723.42743	1.7
885.48065	100.0
886.48730	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	885.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91418	1.3
67.05495	8.4
69.03410	2.5
69.07067	2.9
71.04988	1.2
71.29721	1.0
73.02895	1.9
79.05468	9.1
81.03413	1.7
81.07036	10.8
83.04963	1.9
85.02906	2.9
91.03918	1.4
91.05474	13.5
93.07030	8.5
95.04945	1.4
95.08617	4.7
97.02904	4.7
105.07023	6.2
107.04944	2.2
107.08611	2.4
109.10186	2.0
117.07049	1.9
119.08596	5.0
121.10095	1.6
128.06224	1.4
129.06979	1.6
131.08574	2.2
133.10205	1.5
171.11620	1.7
184.07272	1.5
236.29782	1.4
243.08459	2.5
333.20221	1.5
357.20377	1.6
439.19476	2.1
551.28363	5.1
575.28308	8.2
682.28778	1.2
711.88214	1.4
862.11749	1.8
885.49445	100.0
886.49854	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	883.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	3.0
69.03420	4.5
69.07060	1.7
71.04981	0.8
71.08617	1.8
73.02911	5.8
79.05486	3.4
81.03409	2.3
81.07051	3.2
83.08600	1.6
85.02881	7.2
85.10180	0.9
89.31595	0.5
91.03940	3.9
91.05450	3.6
93.07044	2.7
95.08594	3.7
96.33249	0.4
97.02882	6.5
97.10203	0.8
99.04449	1.7
101.02375	2.8
101.99863	0.4
105.07030	1.7
107.04971	0.5
107.08562	0.5
109.02909	1.8
115.03927	0.7
119.08497	0.6
121.10097	0.5
123.11683	0.5
127.03929	2.4
129.06979	0.5
131.08528	0.7
145.10201	0.5
164.69949	0.4
171.11707	0.8
185.04219	0.5
203.05415	0.7
243.08531	2.4
247.12955	1.0
303.15588	0.6
313.27484	2.6
347.09427	3.1
365.10733	0.8
405.13602	5.7
447.25778	0.5
465.20673	5.5
485.35025	0.5
497.30765	8.3
507.41022	0.5
627.26245	4.2
659.36121	9.7
721.45099	2.3
787.74127	0.6
883.50134	100.0
884.49982	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	884.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.2
67.05497	66.9
69.07056	10.7
71.04983	15.1
71.08618	28.8
73.02894	1.8
79.05479	8.3
81.03394	1.9
81.07042	27.3
81.12403	0.8
83.04947	3.9
83.08610	14.2
85.02896	11.4
85.06535	2.2
85.10161	13.2
88.08904	0.9
91.03931	7.0
91.05466	9.3
92.09299	1.7
93.07034	13.6
95.08592	32.0
97.02851	3.7
97.06465	1.6
97.10184	7.3
99.04467	1.3
105.07036	1.8
107.08557	7.1
109.02835	1.0
109.10149	68.6
111.08074	1.6
117.06996	1.9
119.08546	8.3
121.10094	2.3
123.11674	3.5
127.03905	1.3
135.11659	7.0
137.09599	9.3
137.13297	1.0
143.02661	1.2
145.10117	1.8
163.06015	1.2
163.11116	1.2
173.11719	13.5
180.33911	0.9
184.40610	1.2
239.23642	3.9
243.16035	1.5
255.15802	4.6
287.18460	8.9
313.27332	24.5
432.13501	1.0
467.37253	84.4
468.37488	1.5
481.38541	1.8
493.38736	10.3
525.41400	100.0
526.41522	1.9
553.13507	1.1
629.11719	1.0
669.45227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.7
65.58405	0.7
68.99775	9.8
74.84469	0.7
75.80391	0.7
79.05475	1.6
81.03409	4.3
81.73484	0.9
85.02862	1.0
88.22551	0.8
89.03922	1.3
95.04974	1.1
107.04940	6.1
109.02864	4.2
111.00805	6.7
111.04431	11.4
115.05444	1.1
119.04982	1.0
121.02859	1.9
123.03690	0.9
123.04412	50.5
127.03896	100.0
131.04919	3.4
135.04398	77.1
137.02336	10.1
137.05957	1.6
139.03886	82.1
140.04216	1.1
141.42601	0.8
143.04945	1.8
145.02922	1.0
145.06546	1.0
147.04373	5.0
149.02322	9.3
149.06061	3.3
151.03894	15.8
155.04903	2.0
159.04388	7.2
161.05952	3.6
163.03879	68.3
164.04347	1.3
165.05547	1.7
167.03357	7.7
169.04967	1.6
169.06454	3.5
173.05975	5.1
175.03923	4.2
177.05472	9.2
179.03368	10.3
181.04970	3.3
183.04414	2.0
185.05826	1.1
187.03838	10.8
189.05478	2.1
191.03360	13.7
193.04945	3.8
197.05980	7.1
201.05443	12.1
203.03365	14.0
203.06966	3.4
205.04836	3.5
207.04445	0.9
213.05472	5.2
215.03418	3.4
215.07021	3.9
217.04938	1.5
223.02298	1.3
225.05537	3.2
229.04927	15.1
229.07013	1.3
231.06465	5.0
233.04385	6.4
237.05499	1.7
241.04926	3.9
243.06494	6.2
245.04411	51.3
246.04803	0.9
247.05962	56.5
248.06343	1.4
253.05002	4.0
255.06441	1.5
257.04391	21.0
258.04950	1.8
259.05936	13.0
263.05762	1.2
265.05069	1.3
269.04327	3.9
271.05933	21.0
274.04608	1.1
275.05399	13.5
281.04471	1.4
283.05930	13.6
285.03848	1.1
286.04520	1.3
287.05447	36.8
288.05734	12.5
289.07037	21.1
295.06195	3.4
297.03970	1.5
299.05521	4.7
301.07007	13.2
307.08221	13.6
309.03967	1.2
311.05588	1.8
321.07297	1.0
323.05469	1.6
333.07553	1.1
337.06873	1.0
351.05026	1.3
361.06952	1.2
379.08286	1.3
383.07547	1.0
391.08340	1.5
393.05832	3.9
397.08929	4.4
405.05643	1.2
407.07434	13.4
409.09137	14.2
419.07605	3.4
425.08557	9.5
426.09235	1.3
427.10187	15.2
433.09167	1.2
437.08582	4.3
443.09537	7.2
449.08630	1.1
450.09912	1.0
451.10107	1.9
517.11066	1.1
534.10876	1.0
535.11780	1.0
559.11359	1.2
577.13458	1.2
713.14325	1.1
832.84320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26923	3.2
64.73118	3.1
67.05503	78.4
69.03416	8.9
69.07059	33.0
71.08608	9.0
79.05476	76.5
81.03387	16.6
81.07040	78.0
83.04957	16.5
83.08590	15.8
85.02886	6.2
85.06506	6.2
91.05469	100.0
93.07025	64.0
95.04945	18.7
95.08572	40.7
97.02859	4.3
97.06523	5.6
97.10138	6.2
99.08086	6.1
105.07011	66.1
107.04924	15.2
107.08577	36.2
109.06499	15.0
109.10172	7.9
117.07005	56.2
119.08550	44.3
121.06496	9.0
121.10126	18.0
123.08079	6.8
123.11631	3.8
128.06241	6.4
129.06990	31.3
131.08560	51.2
133.06451	4.4
133.10114	18.0
135.08029	4.3
135.11678	8.1
141.06979	24.7
142.07771	7.2
143.08556	27.7
145.10117	22.8
147.07991	6.0
147.11665	15.0
149.09608	5.2
155.08536	14.6
157.10109	20.5
159.11681	15.1
161.09642	4.9
161.13165	5.6
163.11104	7.4
167.08578	5.2
168.09288	3.9
169.10089	21.1
171.11652	17.7
179.08543	5.1
181.10083	6.5
183.11678	9.2
185.13188	6.0
187.10938	4.5
195.11739	3.8
201.12659	5.0
203.14415	4.2
210.97945	3.7
235.14755	5.5
269.17407	8.4
275.19897	8.0
283.20468	5.6
302.20020	4.6
313.27313	7.5
375.25299	5.1
445.64963	3.8
487.30151	14.9
567.36542	7.5
569.38031	6.5
714.75195	4.4
881.48608	7.7
882.48505	29.7
883.48706	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	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	0.8
67.05493	24.4
69.03410	5.8
69.07051	11.8
71.01337	0.6
71.04987	4.7
71.08614	23.8
73.02891	5.2
73.06540	0.5
79.05474	21.8
81.03401	48.6
81.07038	34.5
81.07534	0.6
83.04971	13.6
83.05438	1.0
83.08112	0.9
83.08604	25.0
85.02890	38.0
85.06532	1.2
85.10165	14.0
89.06013	0.9
91.03941	8.7
91.05458	29.8
93.07024	16.8
95.04946	20.9
95.08582	24.2
95.09188	0.9
95.22676	0.5
97.02858	11.5
97.06507	3.6
97.10137	7.0
99.04414	0.7
99.08080	1.3
103.07542	0.8
105.07006	19.3
107.04950	4.9
107.08562	8.3
109.06490	4.0
109.10135	9.0
111.04435	2.0
111.08065	8.7
111.11715	0.8
113.06015	2.8
115.05439	1.2
117.06976	4.8
119.08559	19.1
121.06483	1.1
121.10118	8.9
123.08053	3.4
123.11694	4.3
125.09592	1.2
127.03882	2.9
128.06187	0.6
129.06981	10.6
129.84145	0.6
131.08543	11.7
133.06473	2.4
133.10095	10.6
135.11745	0.6
137.09563	1.2
137.13264	1.2
139.11140	0.5
141.06984	0.9
142.07788	2.3
143.08592	1.0
145.04968	1.2
145.10115	3.7
147.08026	4.0
147.11674	14.4
149.09572	7.0
149.13307	0.8
155.08556	1.0
157.10109	14.1
163.05978	2.1
163.11241	0.7
165.12680	3.8
175.11156	14.3
193.12210	33.8
211.13255	34.7
239.23784	0.9
257.24677	0.9
267.15863	14.3
285.16904	52.0
313.27313	62.8
356.38477	0.6
505.38788	15.1
523.39838	100.0
524.40149	2.3
667.44586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32993	0.3
67.05499	16.3
68.24038	0.3
69.02847	0.3
69.03436	3.2
69.03735	0.4
69.07062	7.9
71.04989	2.8
71.08623	19.4
71.09015	0.7
73.02903	3.6
74.36262	0.3
79.05052	0.7
79.05481	13.3
81.03406	33.3
81.07043	23.1
83.04971	8.4
83.08608	18.9
85.02894	23.8
85.06526	0.8
85.10174	11.3
87.04453	0.4
89.06024	1.4
91.03939	5.6
91.05460	18.4
92.08653	0.3
93.07029	9.0
95.04952	14.2
95.08588	18.5
97.02877	6.4
97.06516	2.7
97.10143	6.0
99.04448	0.4
99.08061	0.6
103.07545	0.4
105.07013	12.9
107.04937	3.7
107.08590	4.1
109.06501	2.8
109.10146	7.4
111.04427	1.4
111.08070	4.9
111.11701	0.5
113.05994	1.7
115.05429	0.6
117.06989	0.6
119.08566	9.9
119.09386	0.5
121.06473	0.7
121.10120	5.5
123.08054	1.8
123.11697	3.3
125.09671	0.6
127.03886	1.4
129.06992	6.0
131.08563	6.0
133.06471	1.8
133.10097	6.8
134.82242	0.3
135.11647	0.6
136.77469	0.3
137.09584	0.6
137.13217	0.6
142.07773	1.6
145.04945	1.4
145.10150	1.3
147.08049	1.6
147.11668	8.7
149.09602	3.0
149.30991	0.3
154.92401	0.4
157.10115	8.4
163.05991	2.0
163.11244	0.5
165.12773	0.8
175.11156	7.4
180.65001	0.3
183.06462	0.4
193.12225	22.4
211.13275	18.6
211.15309	0.6
239.23642	1.5
249.15022	0.4
257.24738	2.3
267.15881	9.5
285.16925	26.1
313.27335	61.8
314.27591	0.6
505.38806	15.4
523.39880	100.0
524.40338	2.5
667.43311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.7
61.31208	1.1
65.03918	1.8
67.05497	71.4
69.03418	2.1
69.07064	17.6
71.04979	2.6
73.02934	1.6
79.05480	88.0
79.68193	1.3
81.03430	9.9
81.07039	71.2
83.04969	12.8
83.08607	10.1
85.02885	2.8
85.06536	2.1
85.76736	1.2
91.05467	100.0
93.07030	85.8
95.04949	25.3
95.08591	43.3
97.02873	2.6
97.06536	7.3
97.10145	2.7
99.08108	1.3
103.05458	1.9
105.04539	2.7
105.07021	92.4
107.04940	8.2
107.08588	36.0
109.06493	6.1
109.10142	12.7
111.08113	1.7
115.05440	3.2
117.07008	30.8
119.08571	60.2
121.10119	19.6
123.08043	8.6
128.06218	3.3
129.06992	25.0
131.08539	24.1
133.10110	40.9
135.08037	2.2
135.11641	14.2
141.06972	3.2
143.08543	24.6
145.10124	29.5
147.07980	1.8
147.11684	52.5
149.09560	1.8
149.13266	2.3
155.08551	6.1
157.10118	9.9
159.11676	21.5
161.09569	2.0
161.13232	27.3
169.10080	6.9
171.11659	26.5
173.13278	8.3
175.14810	9.6
183.11699	2.5
185.13245	6.7
187.11232	3.4
189.12720	2.8
195.11696	1.7
197.13210	2.3
199.14784	2.9
207.13818	7.7
213.16490	2.3
231.21066	2.6
241.19505	15.8
259.20547	46.1
272.54413	1.6
279.15973	10.4
281.17422	34.8
313.21616	1.6
315.23126	6.2
333.24216	29.8
360.03845	1.7
431.21634	1.6
447.32510	3.3
465.33475	2.9
479.43347	1.5
521.35486	3.2
529.39514	1.9
539.37274	63.6
557.38531	17.1
568.36871	2.0
580.56262	1.7
660.35480	1.9
701.41260	1.9
725.90045	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	881.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.4
66.47958	0.2
68.99773	2.5
69.73878	0.2
87.43355	0.2
95.04941	0.2
97.02866	0.2
107.04930	0.9
109.02847	0.3
109.45020	0.2
111.00805	1.5
111.04428	0.9
114.98898	0.2
115.05396	0.3
117.03436	0.2
121.02816	1.9
123.04405	7.1
127.03881	4.0
129.07040	0.3
131.04913	0.8
135.04398	6.4
137.02328	12.6
137.03365	0.6
139.03885	15.7
141.06972	0.3
143.04877	0.3
145.02829	0.3
145.06456	0.5
147.04430	2.5
149.02318	6.4
149.05945	0.2
151.03874	2.0
153.01808	2.6
153.06912	0.2
154.10007	0.2
155.03348	1.0
155.04755	0.3
157.06474	1.1
159.04372	1.2
161.02307	0.3
161.05975	1.7
163.03874	10.2
164.63950	0.2
165.01775	0.4
165.05328	0.2
167.03362	1.0
169.06412	0.2
171.04359	0.8
173.05931	1.6
175.03867	3.1
175.07437	0.3
177.01826	0.4
177.05447	2.0
179.03358	1.1
181.04933	0.3
181.06392	0.2
183.04385	0.2
185.05954	2.7
187.03865	1.9
189.05447	2.2
191.03387	2.6
193.04903	1.5
195.06470	0.3
197.05949	1.2
199.03937	1.1
201.05441	1.9
203.03349	5.6
203.07031	0.5
205.04932	1.1
207.02800	0.2
209.05983	0.3
213.05464	4.8
215.03401	1.0
215.07036	0.3
217.04915	1.9
218.05759	0.2
221.04361	1.0
223.05930	0.3
225.05382	0.4
227.03329	1.3
229.04924	4.6
231.06480	6.2
233.04388	1.4
237.05420	1.3
239.03276	0.2
239.06883	0.3
241.04909	2.7
242.05493	0.2
243.06400	0.5
245.04417	5.9
247.05939	8.4
253.04865	0.9
255.02722	0.2
255.06459	1.6
257.04407	19.9
258.05093	1.7
259.05948	7.8
265.04968	0.4
267.06244	0.2
269.04373	4.0
271.05945	2.7
273.03796	0.2
273.07608	0.9
275.05487	1.3
279.06546	0.3
281.04471	0.7
283.05978	4.2
285.03851	1.1
287.05447	100.0
288.05713	1.4
289.07172	1.4
295.06006	0.9
297.04010	0.3
297.07501	0.2
299.05362	1.5
301.07043	3.9
305.04510	0.2
305.08127	0.3
309.04077	0.7
309.07587	0.2
311.05463	1.0
323.05597	0.4
327.04929	0.3
333.03821	0.2
335.05347	0.3
337.07138	0.7
345.07397	0.3
349.07108	0.3
351.05002	0.3
361.06979	1.2
365.06348	0.2
367.08234	0.3
373.07037	1.0
377.06366	1.4
379.08072	0.7
385.07074	0.3
389.06476	1.8
391.08051	1.1
393.05826	0.8
395.07346	1.1
405.06082	0.4
407.07608	3.2
409.09384	1.7
413.08664	2.3
417.05923	0.6
419.07367	0.8
425.08588	5.2
427.10132	3.8
431.07431	0.7
437.08224	0.2
443.09674	0.2
447.06906	0.9
449.08713	1.6
451.09927	0.3
469.10925	0.5
525.07971	0.4
533.10699	12.9
534.10858	0.4
543.09058	3.7
545.09283	0.2
555.09027	0.3
557.10852	1.4
561.10065	1.1
569.10425	0.4
573.10327	1.6
575.11426	0.8
585.09735	0.3
587.11658	0.4
677.12836	0.4
695.13617	2.1
711.13409	4.8
729.14459	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	881.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	3.1
69.03403	0.4
81.03376	1.1
85.02891	0.4
91.05426	0.3
93.03398	0.3
95.04943	0.5
95.77067	0.3
107.04940	1.1
109.02859	0.6
111.00783	2.6
111.04427	1.8
119.04901	0.6
121.02856	1.5
123.04410	12.7
125.02394	0.4
127.03906	6.8
131.04890	1.3
133.02826	0.3
133.06459	0.3
135.04402	6.9
137.02321	4.4
139.03885	15.1
143.03334	0.3
143.04922	0.4
145.06453	0.4
147.04378	4.2
149.02316	7.0
149.05975	1.1
150.03084	0.5
151.03864	2.7
152.15958	0.3
153.01810	12.6
155.03377	1.4
155.04781	0.4
157.06461	0.7
159.04384	1.5
161.02272	0.3
161.05940	2.4
163.03867	15.4
165.01749	0.6
165.05447	1.5
167.03374	1.8
169.06497	0.3
170.90762	0.3
171.04384	0.5
173.02281	0.5
173.05936	2.0
175.03928	2.4
177.05415	2.1
179.03436	2.2
181.06401	0.4
183.04384	0.5
185.05965	1.3
187.03893	3.6
189.05431	1.9
191.03374	7.5
193.04933	1.7
197.05954	1.3
201.05446	4.0
203.03380	4.8
203.07077	0.6
205.04930	3.0
207.06474	0.4
211.97758	0.3
213.05466	4.0
215.03436	2.6
215.07108	0.3
217.04865	1.7
219.02873	4.6
225.05345	0.4
227.07086	0.3
229.04922	9.2
230.05598	0.4
231.02870	0.3
231.06483	1.1
233.04318	2.7
234.52251	0.3
241.04884	3.0
243.02881	1.1
243.06529	0.6
245.04414	6.2
247.05972	11.7
253.04887	1.4
255.06491	1.4
257.04391	29.9
258.05054	1.5
259.05969	8.2
261.03809	3.1
263.05438	0.4
265.04913	0.4
269.04391	2.8
270.05136	0.5
271.05902	5.3
273.03821	1.1
273.07516	0.7
274.04672	1.1
275.05453	5.5
281.04416	1.4
283.05954	5.0
284.03067	0.4
285.03876	5.5
287.05426	21.4
288.05997	0.5
289.06967	2.5
295.05893	0.5
297.03900	1.4
299.05518	1.7
301.06998	5.8
303.04932	100.0
304.05301	0.4
311.05606	0.5
315.04770	1.0
321.03876	0.3
325.06876	0.5
327.04990	1.7
335.05463	0.3
351.05087	0.6
361.06879	0.5
377.06439	1.2
379.08218	0.5
389.06433	1.5
391.07761	0.5
393.05832	1.6
395.07318	1.1
405.05981	1.6
407.07587	0.5
409.09122	7.3
411.06046	0.5
411.11111	3.3
417.05994	0.4
419.07428	0.6
423.06897	0.7
425.08640	0.6
427.09879	1.3
429.08264	3.6
433.05286	1.2
435.06613	0.6
447.06940	1.5
452.08929	0.4
453.12173	0.3
463.06577	0.5
465.07809	0.6
533.10712	2.1
543.08838	0.5
549.10144	13.4
559.08417	4.6
561.09845	0.4
573.10236	1.5
577.09784	1.2
585.10626	1.0
589.09564	2.9
591.11633	1.1
603.10492	0.3
693.12042	0.7
711.13367	9.6
729.14325	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	880.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.1
65.03920	3.3
67.05501	77.2
69.03420	9.9
69.07057	40.9
71.04985	4.9
73.02901	3.0
79.05479	80.5
79.11392	2.0
81.03401	18.8
81.07043	87.5
83.04963	15.7
83.08617	12.9
85.02893	11.3
85.06532	2.9
91.03941	3.2
91.05467	100.0
93.07026	67.6
95.04942	21.6
95.08587	42.9
97.02890	9.4
97.06525	19.1
97.10145	2.5
97.98209	2.2
103.05445	9.1
105.07014	62.4
107.04945	17.7
107.08582	40.8
109.06500	15.7
109.10162	5.4
111.08046	3.1
115.05450	11.2
117.07001	58.6
117.07749	3.5
119.08562	42.4
121.06524	11.7
121.10145	21.2
123.08041	7.9
123.11767	2.5
125.01456	2.3
125.09642	4.4
128.06219	12.9
129.05502	2.9
129.06985	46.1
129.55214	2.1
131.08545	53.0
133.06509	4.0
133.10129	24.9
135.08044	13.1
135.11684	8.9
137.09621	2.5
141.06960	23.8
142.07788	3.7
143.08559	22.5
145.06494	9.2
145.10143	33.1
147.08052	4.5
147.11682	12.8
149.09616	11.8
149.13304	9.0
153.06978	3.1
154.07816	4.6
155.08545	27.8
157.10104	16.4
159.08075	3.5
159.11694	19.5
161.09625	2.8
161.13280	2.5
163.11153	9.2
167.08572	12.2
168.09384	3.6
169.10100	26.1
171.08009	2.6
171.11694	8.3
173.09505	2.4
173.13222	4.9
175.11052	2.8
179.08568	4.5
181.10135	8.7
183.11699	14.4
185.13286	4.6
187.11224	14.4
193.10155	9.0
195.11710	4.4
197.13364	7.7
199.11238	4.3
199.14977	2.7
201.12730	10.8
207.11687	3.1
209.13158	2.5
215.14378	2.7
255.15959	3.6
257.18915	3.1
263.18048	2.7
269.17511	16.2
275.19958	14.9
279.99277	2.1
293.17422	3.0
299.19998	8.1
349.23651	15.3
367.24689	3.1
373.23804	2.6
423.01956	2.4
473.29071	7.9
487.30338	9.7
521.38055	4.5
553.35229	3.1
567.36603	14.1
880.52246	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	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	15.4
64.33868	0.6
65.40550	0.6
67.05497	19.6
69.03409	4.0
69.07053	9.4
71.01322	1.6
71.04968	4.2
71.08250	0.9
71.08621	20.6
71.75385	0.6
73.02903	6.5
73.82237	0.6
79.05476	21.5
81.03409	11.6
81.07043	29.4
83.01342	9.7
83.04967	11.0
83.08609	18.8
85.02895	21.0
85.06533	1.6
85.10161	13.5
85.70975	0.8
89.06013	0.9
91.03950	9.4
91.05470	15.0
92.08703	1.9
93.07028	24.2
95.04953	6.8
95.05504	0.6
95.08592	23.3
97.02884	9.8
97.06491	4.2
97.10154	6.5
99.04443	3.9
99.08105	0.8
103.07570	0.7
105.07024	11.0
107.04936	7.2
107.08578	12.2
109.02898	0.8
109.06479	6.5
109.10141	9.2
111.03265	0.7
111.04452	2.9
111.08019	1.5
111.11712	0.6
117.07004	10.2
119.08572	8.9
121.06464	3.5
121.10113	7.3
123.08036	7.9
123.11715	2.6
124.30377	0.7
125.06002	1.5
127.03887	3.3
129.07010	1.1
130.07787	1.0
131.08516	6.8
133.10109	3.8
134.34412	0.7
135.08055	3.2
135.11690	14.6
137.09546	2.4
137.13206	0.7
139.07523	0.9
143.08559	1.2
145.04942	1.6
145.10115	16.8
147.08002	1.0
147.11667	0.9
149.76367	0.6
153.12769	2.6
155.08556	1.2
159.11676	0.9
163.06041	1.3
163.11159	21.2
173.09619	3.3
173.13203	0.8
181.12178	3.3
184.07397	0.7
191.10626	1.1
209.11670	5.6
213.09973	0.7
227.12750	2.7
230.71211	0.9
239.23653	1.0
257.24771	2.5
283.15372	100.0
284.15826	0.8
313.27344	81.9
335.25616	1.3
359.25870	1.2
519.20862	0.9
521.38306	55.7
522.39001	0.8
553.38605	2.8
575.22150	0.8
590.23871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	17.5
67.05490	31.5
69.03430	3.8
69.07065	15.1
71.08620	33.9
73.02904	5.0
75.53575	3.3
79.05480	26.8
81.03416	13.2
81.07037	33.1
83.01335	6.2
83.04973	6.6
83.08614	19.6
85.02905	19.0
85.10173	16.1
86.09680	3.4
91.05473	22.1
93.07019	29.9
95.04962	4.8
95.08578	28.4
97.02899	5.2
97.06495	3.2
97.10157	5.0
105.07020	17.9
107.04924	10.8
107.08545	23.1
109.06512	4.6
109.10148	17.5
116.18410	3.3
117.06983	15.2
119.08571	12.6
121.10127	11.8
123.08067	4.3
123.11654	4.1
129.06978	4.3
131.08545	6.4
135.07957	6.2
135.11729	7.6
145.10115	17.2
163.11154	18.1
173.09666	5.3
184.07411	4.6
188.95305	3.4
209.11722	3.6
283.15320	72.5
313.27328	95.6
377.61755	3.3
521.38367	100.0
750.65454	3.8
753.08276	4.0
753.82813	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	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.0
61.44119	0.7
67.05493	16.7
69.07053	8.6
71.04976	1.1
71.08616	19.4
73.02913	1.3
74.09697	3.7
74.30000	0.7
79.05473	15.7
81.03434	2.0
81.07043	20.8
81.07487	1.5
83.04974	1.7
83.08601	12.3
85.02894	4.3
85.10168	11.5
89.06014	1.3
91.05467	7.0
93.07024	19.3
95.04927	6.8
95.08585	36.6
97.02870	4.0
97.06537	2.1
97.10173	4.0
99.04415	1.8
105.07017	6.2
107.04939	6.5
107.08579	16.1
109.06546	1.4
109.10172	7.9
111.04421	1.0
111.08128	1.1
111.11716	1.0
117.07015	6.0
119.08566	8.9
121.06467	4.9
121.10145	8.0
123.11681	1.7
125.06011	1.4
130.07738	0.9
131.08528	1.4
133.10135	2.1
135.08084	0.8
135.11682	33.1
139.07442	0.8
143.08517	1.0
145.10112	21.4
149.23819	1.0
163.11140	38.3
181.12157	6.5
209.11858	1.1
222.27756	0.9
227.12758	41.0
239.23808	1.4
257.24716	1.9
283.15363	31.5
313.27322	100.0
314.27695	1.6
521.38324	94.7
522.38837	2.7
841.84735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.7
63.07193	1.3
67.05494	9.6
69.03412	1.8
69.07055	2.9
71.01349	1.5
72.84626	1.3
73.02916	3.3
79.05474	10.1
81.03424	2.3
81.07052	9.0
83.04972	1.8
85.02895	3.6
88.74299	1.7
91.05466	7.2
93.07018	3.1
95.08601	1.8
97.02887	2.9
105.07018	6.3
107.08527	2.4
131.08562	3.2
135.11690	1.8
170.92168	1.9
184.07323	1.9
243.08392	1.9
260.98032	1.6
551.28223	2.7
569.29352	9.4
744.26788	1.8
868.69360	1.7
879.50598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	9.9
65.03946	1.2
67.05495	8.9
69.03422	6.4
69.07066	6.1
73.02914	7.2
76.56866	1.3
79.05491	9.0
81.03439	2.7
81.07049	9.2
85.02895	7.4
87.94789	1.2
91.03934	2.8
91.05472	6.6
93.07029	9.6
95.04969	2.2
95.08596	5.6
97.02893	8.5
101.02386	2.6
105.07032	6.3
105.50506	1.1
107.04983	1.8
107.08598	7.4
117.06995	2.2
119.08609	3.0
121.10180	2.4
127.03925	1.8
129.06960	1.7
131.08592	2.1
133.10199	1.4
135.11693	2.3
145.10017	2.0
149.02458	1.5
153.57207	1.5
185.13251	2.1
196.33003	1.3
207.05145	1.5
221.11537	1.7
243.08411	3.3
259.15158	1.4
384.52319	1.9
405.13730	6.0
439.19589	7.2
519.29504	6.9
681.34546	7.1
879.46863	100.0
880.46857	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	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.8
65.03927	0.4
67.05492	23.8
67.36121	0.3
69.03416	0.7
69.07052	9.1
71.04966	1.2
71.08614	18.7
73.02905	1.4
73.06521	0.7
79.05476	28.4
81.03395	3.3
81.07039	26.4
83.04969	5.8
83.08603	10.3
85.02895	4.3
85.06554	1.3
85.10165	9.7
86.94226	0.3
89.06030	0.4
91.03946	2.3
91.05460	21.8
93.07024	26.3
95.04947	8.6
95.08585	21.6
97.02876	2.5
97.06511	1.9
97.10145	4.8
99.11709	0.6
99.19911	0.3
103.07598	0.4
105.04500	1.1
105.07016	17.4
107.04926	2.6
107.08577	7.4
109.06509	2.4
109.10137	6.1
111.08089	0.7
111.11694	0.6
117.07008	3.1
119.08561	10.2
121.06490	0.6
121.10115	2.2
123.08056	2.0
123.11655	2.6
127.03897	0.4
127.07565	0.5
128.06213	0.7
129.06989	7.2
131.08560	1.4
133.06544	0.5
133.10094	4.5
135.11694	0.6
137.13281	0.6
143.08559	4.3
145.10103	4.4
147.08058	1.3
147.11671	16.8
151.14807	0.5
156.09244	0.3
159.11642	0.6
161.09604	1.7
161.13208	4.4
171.11650	10.8
179.14281	0.3
189.12679	2.5
207.13779	6.1
239.23701	1.6
257.24747	1.7
281.17429	17.1
281.61230	0.3
313.27316	42.4
314.27698	0.4
343.36038	0.3
487.80371	0.3
519.40369	100.0
520.40723	2.6
672.95117	0.4
710.96277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.6
62.85604	0.9
67.01355	1.0
67.05501	6.5
69.03410	2.4
69.07043	5.4
73.02893	4.4
74.45418	1.3
79.05473	8.3
81.03389	1.2
81.07041	9.1
83.04967	1.6
85.02890	2.5
91.03938	2.7
91.05470	6.4
93.07031	6.3
95.08593	2.8
97.02850	2.8
102.18919	1.1
105.07034	4.9
107.08605	2.1
109.10146	1.2
117.06995	1.5
117.94257	1.0
119.08584	2.3
121.10149	2.2
129.06984	1.5
131.08484	2.0
186.54520	1.1
243.08247	2.5
244.01184	1.4
301.08987	1.4
348.31693	1.3
365.22815	4.7
397.38791	1.3
429.09796	1.4
535.28571	7.4
583.30170	5.2
624.94904	1.2
791.41351	1.9
815.95398	1.5
877.50934	100.0
878.48712	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	878.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.9
67.05188	4.8
67.05493	80.4
69.03407	15.5
69.07051	57.9
75.62071	3.2
79.05473	95.1
81.03387	21.4
81.07037	75.2
83.04960	8.8
83.08617	9.0
84.12141	3.9
85.02863	5.5
91.05460	100.0
93.07029	68.0
95.04945	31.5
95.08566	37.4
97.02864	18.3
97.06510	12.8
97.10130	6.0
104.66953	4.3
105.07015	65.7
107.04935	22.5
107.08569	33.5
109.06496	16.3
109.10118	18.2
115.05401	8.2
117.07001	70.3
119.08541	46.6
121.06489	18.2
121.10108	18.0
123.08060	8.3
125.09585	5.9
128.06198	14.6
129.06979	35.9
131.08546	52.8
133.10091	20.7
135.08025	16.9
135.11676	5.1
141.06952	29.8
142.07796	5.2
143.08531	25.6
145.06447	8.7
145.10110	22.3
147.08054	14.2
147.11691	15.9
149.02310	18.6
149.09581	8.8
149.13310	4.8
155.08511	24.2
157.10080	15.0
159.11678	21.7
161.09615	7.6
161.13246	5.0
163.11211	4.7
167.08553	5.9
169.10086	21.9
171.11633	6.8
173.09552	4.3
173.13239	5.6
175.11214	5.4
181.10214	3.5
183.11661	9.1
184.07239	4.1
185.09625	6.2
187.11198	7.5
193.04980	5.3
195.11684	4.0
197.13232	8.2
201.12677	6.0
223.13275	19.9
258.15692	4.2
261.51279	3.7
270.88336	3.9
273.18460	14.4
275.19891	5.5
284.29492	13.8
291.19458	70.9
293.17505	4.2
299.19922	5.6
320.49551	4.2
365.23117	46.4
373.23730	4.5
473.60950	4.4
517.38458	5.5
518.39203	8.0
519.39551	6.5
569.34918	5.3
583.36011	22.7
606.49249	4.3
663.42554	8.2
681.44049	4.8
878.44305	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.7
61.17133	0.6
67.05491	6.4
69.03420	4.7
69.07068	3.5
71.04987	1.0
72.80685	0.6
73.02914	4.1
74.27701	0.6
75.22623	0.5
75.52044	0.5
76.40192	0.6
79.05479	7.4
81.03419	1.4
81.07040	7.0
83.08639	1.0
85.02892	4.8
86.09705	0.6
87.04471	0.7
90.40112	0.6
91.03950	3.2
91.05465	7.7
92.09309	2.5
93.07028	8.6
95.04965	1.5
95.08607	4.2
97.02869	4.4
97.06529	1.0
97.10176	0.9
99.04421	0.8
101.02374	1.0
105.07035	5.6
107.08619	3.1
109.02903	0.6
109.06572	0.8
109.10152	1.1
117.07036	1.1
119.08608	3.5
121.06477	0.7
121.10164	1.5
127.03938	0.8
129.07005	1.0
131.08551	1.6
133.10144	4.2
135.11703	1.2
145.04843	0.7
145.10208	0.9
147.11694	1.5
159.11763	1.0
171.46196	0.7
185.04335	0.8
243.08372	5.2
285.42163	0.7
301.09109	2.7
315.10593	0.8
365.22885	7.1
421.25732	0.8
491.67908	0.7
535.28754	9.1
541.22620	0.9
551.28693	1.0
575.77051	0.8
583.30652	7.2
583.50842	0.7
645.56873	0.7
655.32727	1.1
791.42157	4.5
799.06580	0.7
876.50208	1.0
877.52502	100.0
878.52209	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	876.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	11.3
61.58098	2.2
64.33710	2.4
66.03905	1.9
67.05489	44.7
69.03427	2.3
69.07054	23.1
79.05482	47.4
81.03382	2.4
81.06593	4.3
81.07041	73.4
83.04961	3.2
83.08613	11.0
85.02897	9.8
88.82652	2.6
91.03939	4.8
91.05464	30.2
93.07026	42.3
95.04956	3.5
95.08597	48.5
97.02887	4.5
97.06541	2.7
97.10151	3.5
99.08042	2.2
105.07018	37.8
107.08582	31.9
109.06457	2.1
109.10165	15.8
110.77021	1.9
113.38641	2.0
117.07014	11.4
119.08580	29.4
121.10162	18.7
123.11667	3.2
129.06946	2.6
131.08551	20.9
133.10124	21.5
135.11667	12.6
143.08539	4.5
145.10104	16.5
147.11705	18.9
149.13232	9.1
155.08511	5.1
157.10127	10.0
159.11679	11.1
160.61787	2.3
161.13269	7.9
169.10139	3.5
171.11595	4.0
173.13257	11.7
175.14812	4.1
182.06329	2.5
183.11653	2.8
185.13225	4.1
187.14824	5.2
199.14697	2.8
201.16594	2.3
233.56805	2.2
239.16422	10.4
259.20624	3.0
308.40378	2.2
327.26447	2.8
333.24670	2.2
335.25754	22.3
425.34018	9.8
443.35443	3.6
475.99609	2.5
499.37741	25.4
517.38879	100.0
788.13226	2.3
808.56616	2.7
809.47577	2.3
875.49750	3.1
876.50867	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	877.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
67.05509	8.1
67.05811	0.8
69.03418	2.1
69.07060	4.5
73.02911	2.3
79.05453	7.7
81.03420	4.8
81.07044	10.3
83.04957	1.9
83.08614	1.8
85.02917	5.0
86.09698	1.5
91.03976	1.7
91.05457	5.5
92.09334	1.0
93.07063	4.8
95.04978	1.5
95.08619	2.2
97.02890	6.1
97.10185	1.6
101.02380	1.2
105.07034	1.9
107.08613	1.6
109.10145	1.3
117.07014	1.7
121.10088	1.1
124.15303	1.2
127.03936	1.2
131.08539	1.7
133.10141	1.3
184.07361	6.4
218.65858	1.2
240.56892	1.2
243.08533	5.1
276.78000	1.2
316.54288	1.1
439.19675	1.9
519.02057	1.1
551.28333	4.9
567.27795	5.1
569.29462	1.6
691.28381	1.3
721.79303	1.1
877.49017	100.0
878.48401	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	876.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	12.3
65.03934	2.1
67.05143	2.9
67.05488	57.1
69.03409	4.4
69.07053	19.5
73.02879	4.4
79.05470	41.5
81.03384	3.4
81.07035	76.2
83.04955	3.3
83.08590	12.0
85.02884	12.7
85.06567	1.9
91.03907	3.2
91.05465	31.4
92.28057	1.9
93.07030	49.1
95.04904	2.9
95.08582	42.9
95.95701	2.1
97.02869	3.2
97.06528	7.6
97.10149	2.2
105.07011	46.5
107.08575	28.3
109.10140	19.9
111.08047	2.0
117.06992	10.0
119.08562	33.2
121.10111	21.5
123.11613	4.4
129.06984	4.7
131.08560	16.8
133.10100	20.5
135.11659	9.0
143.08536	4.5
145.10123	21.1
147.11656	25.6
149.09641	2.2
149.13255	4.7
157.10071	5.0
159.11674	12.8
161.13239	7.9
163.14821	2.7
165.12662	3.5
171.11635	7.9
173.13237	10.3
175.14761	2.9
183.11603	2.9
185.13301	2.8
187.14847	2.9
189.16415	2.9
197.13129	2.2
200.58795	2.1
239.16336	10.5
241.17595	2.2
305.09149	2.0
335.25696	14.9
404.84195	2.4
425.34128	10.7
479.67026	2.3
499.37735	20.7
500.37238	2.7
517.31226	3.7
517.38794	100.0
518.39063	8.2
577.98724	2.4
781.22742	2.5
790.40039	2.4
876.48950	18.2
877.47021	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	876.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	12.3
65.03934	2.1
67.05143	2.9
67.05488	57.1
69.03409	4.4
69.07053	19.5
73.02879	4.4
79.05470	41.5
81.03384	3.4
81.07035	76.2
83.04955	3.3
83.08590	12.0
85.02884	12.7
85.06567	1.9
91.03907	3.2
91.05465	31.4
92.28057	1.9
93.07030	49.1
95.04904	2.9
95.08582	42.9
95.95701	2.1
97.02869	3.2
97.06528	7.6
97.10149	2.2
105.07011	46.5
107.08575	28.3
109.10140	19.9
111.08047	2.0
117.06992	10.0
119.08562	33.2
121.10111	21.5
123.11613	4.4
129.06984	4.7
131.08560	16.8
133.10100	20.5
135.11659	9.0
143.08536	4.5
145.10123	21.1
147.11656	25.6
149.09641	2.2
149.13255	4.7
157.10071	5.0
159.11674	12.8
161.13239	7.9
163.14821	2.7
165.12662	3.5
171.11635	7.9
173.13237	10.3
175.14761	2.9
183.11603	2.9
185.13301	2.8
187.14847	2.9
189.16415	2.9
197.13129	2.2
200.58795	2.1
239.16336	10.5
241.17595	2.2
305.09149	2.0
335.25696	14.9
404.84195	2.4
425.34128	10.7
479.67026	2.3
499.37735	20.7
500.37238	2.7
517.31226	3.7
517.38794	100.0
518.39063	8.2
577.98724	2.4
781.22742	2.5
790.40039	2.4
876.48950	18.2
877.47021	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	874.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
65.67980	0.9
67.05495	99.8
69.03410	5.8
69.07057	39.4
69.55415	1.0
71.04980	6.9
75.05211	0.9
76.56499	0.8
79.05476	62.0
81.03387	10.8
81.07041	100.0
82.19604	0.9
83.04958	9.1
83.08608	22.7
84.71143	1.0
85.02900	4.6
85.06525	4.3
91.05461	45.1
93.07025	58.4
95.04960	13.1
95.08587	34.7
97.02877	5.3
97.06510	15.1
97.10153	13.2
97.62336	1.1
99.08073	2.2
103.05486	1.1
105.07016	45.3
107.04932	12.1
107.08583	46.1
109.02841	1.1
109.06530	8.5
109.10144	42.3
111.08078	7.7
117.07008	17.7
119.08566	34.9
121.06464	5.9
121.10129	22.9
123.08067	5.2
123.11668	4.5
125.09586	11.3
127.03915	1.8
128.06219	1.6
129.06976	7.1
131.08539	24.4
133.10112	29.3
133.11121	1.1
135.08028	4.8
135.11653	15.2
137.09592	5.0
141.01701	1.1
141.06963	2.5
143.08557	7.0
144.09256	1.4
145.06418	1.9
145.10115	18.0
147.07990	1.8
147.11673	15.3
149.09605	14.5
149.13211	12.1
151.11166	2.2
154.07753	1.4
155.08554	5.2
157.10109	6.2
159.11655	15.8
161.09624	2.0
161.13278	1.3
163.11153	8.3
165.12781	1.6
169.10091	4.9
171.11671	5.8
173.11703	7.3
173.13248	5.0
175.11185	1.1
177.12743	5.4
179.14243	1.5
181.10100	1.7
183.11673	1.8
185.13240	3.8
187.14868	1.3
189.11157	4.7
189.12746	1.4
195.13768	2.3
197.13211	1.5
211.14799	1.1
227.12756	10.3
229.14313	16.5
239.17880	1.8
245.13628	1.2
247.20657	1.6
255.15767	1.7
257.18994	7.1
267.15906	1.5
269.17401	18.6
275.20035	25.5
284.44824	1.2
293.21173	4.4
303.33505	1.1
349.23697	27.7
367.24689	6.6
409.25830	6.2
423.27365	21.4
449.29056	8.1
463.30566	21.6
503.33664	10.9
521.34253	4.5
525.35388	5.3
529.35150	2.0
543.36682	36.6
561.37738	10.8
607.34589	2.2
623.42938	11.0
641.43817	6.2
659.44989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54773	1.8
65.03909	2.2
67.05141	3.4
67.05496	100.0
69.03427	7.9
69.07053	37.6
71.04984	8.9
71.07424	1.8
79.05476	57.7
81.03403	10.9
81.07043	79.7
83.04977	10.5
83.08613	13.5
85.02880	3.2
85.06554	3.4
89.58734	1.8
91.05466	69.5
92.08544	2.0
93.07021	62.6
93.07574	3.5
95.04956	20.3
95.08591	40.0
97.02856	4.5
97.06524	10.5
97.10162	9.6
100.90099	1.9
105.07023	57.2
107.04950	5.0
107.08577	43.1
109.06509	9.4
109.10147	32.0
111.08067	3.1
117.07012	26.8
119.08570	42.1
121.06483	5.0
121.09347	2.1
121.10114	19.1
123.08120	2.4
123.11689	4.1
125.09670	4.3
128.06175	2.8
129.06981	13.6
131.08542	25.5
133.10107	33.0
135.08037	3.8
135.11699	11.3
137.09625	3.4
143.08594	8.2
145.10091	21.1
147.08073	2.3
147.11670	21.6
149.09590	13.1
149.13298	9.8
151.11220	2.3
152.61821	2.4
155.08549	8.5
156.93134	2.1
157.10121	13.0
159.11659	15.8
161.13266	5.0
163.11172	4.4
169.10085	8.8
171.11699	4.4
173.11784	3.9
173.13225	7.3
175.10953	2.8
183.11667	4.9
184.07402	3.8
185.13176	2.7
187.14691	2.6
195.13719	2.6
199.14885	2.2
209.13225	2.7
213.12869	1.9
217.81923	2.3
222.96390	2.4
227.12846	4.5
229.14345	10.9
241.19629	2.4
246.34529	2.0
257.19092	3.3
257.36899	2.1
259.20630	10.2
269.17389	19.9
275.20020	26.7
293.21112	10.2
327.67206	2.3
333.24075	8.4
349.23691	9.2
367.24738	8.5
383.29761	2.4
423.27023	3.2
463.30594	3.6
503.33917	3.7
505.34805	2.8
527.37134	8.6
543.36761	10.1
561.37372	4.1
567.55438	2.3
607.42981	2.9
625.44275	4.8
771.94586	2.4
784.08264	2.5
874.44873	3.5
875.46735	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	874.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	11.9
64.13095	0.6
64.33731	0.5
65.03915	2.4
65.92110	0.7
67.05492	71.3
69.03413	2.9
69.07054	21.4
71.01353	2.1
71.04974	5.2
73.02893	3.9
79.05473	63.9
80.05821	0.6
81.03397	4.0
81.07038	55.7
83.04971	13.3
83.08601	7.7
85.02888	10.0
85.06527	3.2
86.82934	0.5
87.04433	0.6
91.03944	6.3
91.05461	32.3
93.07023	79.5
94.07365	0.8
95.04952	8.9
95.08579	35.6
97.02840	5.5
97.06503	11.1
97.10138	8.7
99.08081	2.4
105.04511	0.8
105.07011	20.7
107.04937	2.6
107.08575	45.6
109.06477	3.7
109.09396	0.7
109.10132	17.0
111.08062	2.7
115.05514	0.9
117.06995	11.1
119.08566	19.0
121.10119	23.3
123.08089	0.9
123.11689	3.6
125.09586	2.8
127.03876	1.4
129.06966	2.2
130.07773	0.8
131.08549	11.0
133.10112	12.3
135.11670	42.8
137.09590	1.0
137.13191	0.6
138.99055	0.6
143.08556	2.6
145.04956	2.6
145.06503	0.8
145.10109	14.8
147.11703	6.8
149.09569	1.3
149.13234	5.9
151.11227	1.0
153.12727	3.3
157.10069	2.2
159.11673	5.7
161.13226	4.7
163.11169	4.7
163.14842	2.6
171.11670	1.3
173.13226	5.0
175.14781	1.4
181.12183	6.0
185.13258	0.8
187.14812	1.3
201.16360	0.6
239.86975	0.7
243.21097	3.7
255.15855	41.9
255.63484	0.7
259.20499	3.0
261.22073	9.4
299.23306	0.7
317.24673	1.2
333.24219	3.0
335.25739	40.7
335.29816	1.4
383.19754	0.9
423.32730	2.4
433.93890	0.7
441.33902	0.9
465.86264	0.7
515.37219	100.0
516.37341	2.8
533.38251	3.1
623.43225	0.8
659.40198	1.3
874.45178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.6
67.05491	100.0
68.19160	2.0
69.03412	5.1
69.07056	58.1
69.86613	1.9
71.04975	14.2
79.05470	84.1
81.03397	23.0
81.07041	98.6
82.07370	2.8
83.04965	11.1
83.08596	18.3
85.02880	9.6
85.06527	7.9
86.09724	2.3
90.54884	2.1
91.05463	97.3
91.06010	4.6
93.07026	89.7
95.04961	18.3
95.08596	58.1
97.02860	4.9
97.06489	19.3
97.10152	8.4
99.08111	3.2
103.05455	3.4
105.07011	85.0
107.04935	10.3
107.08576	56.5
109.06513	10.9
109.10136	30.1
110.90837	2.1
111.08068	3.4
115.05425	3.3
117.06996	36.9
119.08546	49.1
121.06500	3.5
121.10115	20.5
123.08071	8.4
123.11659	4.2
125.09608	9.2
127.05948	1.9
128.06213	1.9
129.07011	21.8
131.08548	41.1
132.08893	2.7
133.10103	40.8
135.08040	4.0
135.11661	20.6
137.09593	4.3
141.07005	4.7
142.07782	3.6
143.08549	21.2
145.06523	3.6
145.10109	29.2
147.07999	4.1
147.11641	18.1
149.09622	17.7
149.13258	11.7
151.11166	2.8
154.82692	2.0
155.08533	4.2
157.10118	16.5
159.11668	18.2
161.09613	3.8
161.13258	8.9
163.11127	10.8
166.81845	2.1
169.10107	10.9
171.11691	12.9
173.11812	3.9
173.13249	11.6
177.12686	2.8
179.14282	3.1
181.10097	3.8
183.11694	8.9
184.07401	2.9
185.13220	10.6
187.11171	2.3
195.11755	3.6
195.13802	2.4
197.13254	3.9
209.13380	2.4
211.14894	3.6
213.16310	2.8
223.14850	2.8
227.12729	4.5
229.14320	5.0
239.17902	2.9
257.19000	4.8
259.20593	10.6
267.15906	2.5
269.17401	5.2
275.20071	20.9
291.19537	3.0
333.24130	12.2
344.33328	2.0
349.23636	14.1
440.24445	2.3
509.36163	3.7
527.37219	36.9
545.36920	3.4
607.43280	17.4
623.42346	2.6
625.44006	10.5
653.39148	2.7
671.41284	8.5
689.42035	13.9
873.45349	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	872.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.9
65.03926	4.6
67.05496	100.0
69.03412	7.0
69.06712	1.9
69.07059	39.0
71.04984	13.5
71.08631	1.0
73.02902	2.1
79.05006	1.5
79.05479	79.4
81.03403	14.2
81.07042	83.4
83.04967	10.4
83.08603	17.2
85.02885	5.1
85.06544	2.8
91.03942	1.3
91.04885	2.1
91.05463	80.9
92.09323	4.8
93.07027	83.0
95.04950	19.4
95.08585	45.6
97.02859	5.2
97.06523	17.4
97.10151	7.7
99.04467	1.2
99.08040	1.6
103.05442	2.6
105.04525	1.5
105.07017	77.9
107.04939	9.4
107.08581	43.5
109.06491	9.5
109.10149	45.6
111.08034	8.2
113.09612	1.2
115.05446	4.9
117.06998	32.0
119.04876	1.2
119.08562	59.1
121.06486	6.5
121.10118	23.0
123.04398	1.1
123.08049	7.5
123.11696	5.2
125.09614	7.7
127.03832	1.5
128.06235	4.7
129.06978	17.0
130.07774	1.9
131.08546	40.1
133.00888	1.2
133.06491	1.5
133.10110	37.5
135.08052	6.1
135.11656	14.0
137.09579	7.0
139.11212	1.5
141.06979	7.2
142.07785	5.6
143.08540	18.5
145.06425	1.9
145.10117	32.3
147.08072	1.9
147.11674	25.5
149.09615	10.1
149.13234	9.3
151.11168	2.6
155.08549	10.4
157.10133	16.6
159.08003	2.2
159.11665	22.0
161.09592	2.5
161.13257	11.4
163.05447	1.3
163.11166	8.3
165.06902	1.4
165.12767	1.2
167.08450	4.3
169.10112	11.3
171.11665	15.7
173.04404	1.3
173.09602	1.2
173.11696	7.6
173.13235	11.9
175.11220	1.8
175.14815	6.0
177.12700	2.1
179.14250	1.9
181.10100	5.0
183.11674	9.8
184.07295	1.9
185.13187	9.5
187.11107	1.6
187.14790	2.0
189.11172	2.1
193.10106	1.5
195.11684	6.1
197.13234	8.9
199.14793	2.4
207.11922	1.5
209.13185	4.9
211.14912	1.7
213.16420	4.3
221.13309	1.8
223.14796	1.6
225.16385	1.4
227.12709	2.3
229.14307	14.4
231.20947	2.2
235.14725	1.7
239.17854	1.5
241.19479	6.8
257.19022	2.7
259.20523	25.3
261.16464	1.2
269.17355	5.9
273.18579	2.0
275.20093	15.5
291.19467	2.0
313.21692	1.9
321.63541	1.3
333.24200	16.3
349.23584	7.1
435.32629	1.6
487.34134	6.1
505.35172	13.8
509.36105	2.0
513.35437	2.7
527.37225	27.4
607.43396	21.5
623.42798	1.5
625.44641	12.4
635.38293	2.0
639.45929	2.7
671.41003	4.8
689.42249	10.0
772.03937	1.6
873.45135	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	872.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.0
61.07144	0.8
65.03925	4.5
67.05492	100.0
68.05853	0.9
69.03409	9.0
69.07054	47.2
71.04653	0.9
71.04972	9.5
73.02879	1.6
79.04992	1.1
79.05473	70.6
81.03396	13.1
81.07037	78.1
82.07376	1.5
83.04967	12.4
83.08606	15.9
85.02883	7.0
85.06537	4.6
91.05462	70.8
93.07021	64.2
95.04955	17.5
95.08580	51.3
97.02869	5.0
97.06497	15.4
97.10155	11.3
99.08075	2.0
103.05442	2.2
105.04446	1.2
105.07013	66.6
106.07382	1.3
107.04944	12.2
107.08581	37.9
109.02832	1.2
109.06486	8.1
109.10143	40.9
111.04432	1.8
111.08066	7.0
113.09638	1.4
115.05455	3.7
117.06992	23.5
119.08559	49.1
119.09389	2.0
121.06499	8.0
121.10120	21.3
123.08064	5.8
123.11693	4.1
125.09622	7.9
127.03934	1.5
128.06184	4.7
129.05487	1.4
129.06979	13.9
130.07761	1.7
131.08540	29.1
133.06450	1.9
133.10106	30.5
134.38704	0.9
135.08028	5.1
135.11679	15.5
137.09569	8.5
141.06975	5.0
142.07796	1.4
143.08560	12.5
145.06445	3.8
145.10130	23.9
147.07970	1.5
147.11671	21.2
149.09602	14.9
149.13211	7.6
151.11177	1.8
155.08545	5.9
156.09335	1.1
157.08882	1.3
157.10086	11.9
159.08044	1.6
159.11653	20.9
161.09593	1.6
161.13222	8.6
163.11153	11.4
165.07082	0.9
167.08508	1.4
169.10089	7.3
170.10847	1.5
171.11658	10.3
173.11685	5.1
173.13235	9.0
175.11130	2.2
175.14795	1.1
177.12721	2.5
179.14285	1.7
181.09917	1.2
183.11647	8.0
185.09576	1.1
185.13216	6.5
187.14778	2.1
189.11211	1.9
189.12805	1.9
195.11714	2.0
195.13795	1.2
197.13197	4.6
199.14824	4.3
209.13258	3.9
211.14879	1.4
213.16345	1.3
223.15041	1.0
227.12718	4.7
229.14194	14.8
239.17783	1.8
241.19467	4.2
247.20476	1.5
255.15909	1.1
257.18979	6.3
259.20514	17.1
269.17365	8.7
275.19974	24.3
291.19513	4.8
321.24072	1.0
331.22607	1.5
333.24268	11.5
349.23706	19.4
365.23346	1.3
409.25665	2.2
423.27377	4.8
453.33197	1.4
487.34006	7.9
493.22623	1.2
503.33322	3.8
505.35107	15.6
509.36725	1.5
515.38623	1.6
527.37097	12.6
529.35596	1.9
543.36670	9.5
544.36908	4.9
545.38086	1.7
547.15582	1.2
607.43463	9.5
623.42383	3.8
625.44519	11.2
639.57642	1.2
641.44714	1.3
671.41034	1.7
689.41833	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	872.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33529	2.1
67.05493	83.1
69.03406	9.7
69.05579	2.0
69.07060	42.6
70.95805	2.0
79.05475	85.1
81.03395	22.2
81.07038	100.0
83.04962	24.5
83.08604	51.2
84.84019	2.2
85.02878	11.9
89.51593	2.4
91.05454	63.8
93.07023	82.2
95.04950	71.5
95.08587	50.8
97.02866	2.5
97.06495	19.2
97.10155	34.8
99.04433	3.1
105.07018	60.9
107.04950	31.3
107.08579	55.9
109.06513	21.5
109.10139	28.0
111.04437	20.1
111.08046	17.9
117.06989	28.9
119.08554	64.0
121.06486	20.3
121.10122	35.3
123.04372	2.7
123.08031	29.0
125.09608	27.2
128.06207	2.4
129.06995	13.6
130.07677	2.5
131.08542	36.5
131.36850	2.3
133.06461	3.8
133.10115	30.3
135.08020	14.8
135.11682	20.9
137.09621	12.3
143.08551	11.5
145.06508	3.2
145.10117	45.0
146.49303	2.6
147.08034	14.9
147.11678	18.3
149.09612	36.8
151.11136	2.5
153.09137	4.5
153.12782	4.0
155.08560	9.0
157.10097	16.2
159.11673	21.0
161.09596	9.3
161.13092	3.3
163.11172	50.1
165.09161	4.2
165.12679	4.8
169.10097	4.7
171.11609	2.6
173.09608	5.3
173.13260	3.4
175.11142	9.8
177.12671	3.6
181.12183	9.4
183.11694	2.9
183.46735	2.6
185.13135	3.7
187.11200	4.8
189.11214	15.4
189.12740	3.0
191.10725	3.6
195.11588	2.8
205.12157	4.0
223.13338	18.7
227.12689	15.6
231.17343	2.6
257.18927	5.1
269.17590	3.5
273.18420	25.9
275.19974	42.4
291.19531	56.6
293.21140	22.2
347.21970	12.6
349.23575	26.4
365.23114	44.4
367.24716	39.0
383.24344	17.9
559.36072	9.4
621.41132	10.6
639.42322	48.8
657.33691	2.7
657.43573	50.2
675.44714	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	870.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	6.2
67.05150	3.8
67.05501	92.5
69.03396	5.9
69.07058	44.7
71.04963	20.2
71.08616	3.9
74.53505	4.1
79.05477	85.8
81.03390	20.3
81.07043	100.0
82.95138	3.8
83.04955	18.2
83.08602	24.1
85.02879	7.5
86.09692	6.2
91.05463	79.1
93.07024	86.9
95.04945	23.8
95.08592	50.9
97.02850	6.7
97.06505	19.8
97.10117	4.2
99.08101	5.3
100.06282	4.1
105.07026	72.1
107.04955	9.7
107.08565	47.5
109.06522	5.1
109.10126	32.8
114.92725	4.8
117.06982	32.8
119.08550	41.8
121.06424	8.0
121.10129	27.9
125.09645	5.1
128.06201	5.1
128.26671	4.2
129.06949	7.5
131.08577	36.3
133.10118	38.1
135.08037	9.5
135.11629	18.3
137.09494	5.2
141.07095	5.8
143.08563	8.2
145.10104	26.8
147.11682	24.7
149.09563	9.9
155.08554	5.2
157.10104	7.2
159.11702	21.9
161.13255	5.8
163.11214	4.8
169.10010	12.7
173.13243	5.3
184.07332	17.5
229.14273	5.4
233.07153	4.4
238.42293	4.4
244.68484	3.8
251.09129	4.1
255.15862	6.0
269.17392	9.2
275.20059	20.7
349.23691	27.6
367.24841	4.8
449.28613	6.1
463.30365	4.3
467.37073	20.0
472.11197	4.8
488.81747	4.4
511.32718	4.8
511.39810	8.9
517.10614	4.5
543.36823	30.9
623.41718	6.2
687.39215	5.2
862.82751	4.6
870.50586	72.0
871.51349	9.4
896.03278	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	871.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	16.8
69.03425	2.6
69.07050	4.1
73.02893	2.8
73.71084	2.3
79.05461	13.1
81.07027	13.4
83.36188	2.7
85.02896	4.2
91.05462	17.7
91.06947	2.2
93.07016	13.9
95.08568	5.4
97.02907	3.4
105.07015	13.7
109.10147	3.3
117.06967	5.0
119.08551	5.1
121.10104	2.8
131.08530	4.2
131.35815	2.5
133.10110	4.4
145.10057	3.3
163.55968	2.7
202.80768	2.7
273.65106	2.5
284.02283	2.7
459.62216	3.0
548.59869	2.7
561.30170	4.1
871.51270	100.0
872.49274	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	872.536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	95.9
69.03408	10.3
69.07059	58.6
71.04979	10.1
77.98023	2.3
79.05479	76.3
79.05904	4.2
80.05775	1.9
81.03400	20.7
81.07042	100.0
83.04965	15.4
83.08610	28.5
85.06505	3.9
91.05466	62.4
93.07025	66.8
95.04967	23.5
95.08600	41.3
97.02873	13.0
97.06522	15.7
97.10166	29.8
102.57656	2.4
105.07024	60.6
107.04941	21.8
107.08579	53.3
109.06524	14.3
109.10153	47.7
111.08099	3.6
117.07018	23.1
119.08547	33.0
121.06496	12.5
121.10139	18.9
123.08057	15.0
123.11729	3.7
125.09635	23.3
129.06964	4.6
131.08559	25.8
131.09395	2.9
133.06497	2.5
133.10155	25.5
135.08040	9.4
135.11668	10.9
137.09639	4.3
139.11107	2.7
142.07693	3.1
143.08504	5.5
145.06543	2.9
145.10107	23.5
147.08028	5.5
147.11697	13.6
149.09627	12.7
149.13255	10.6
151.11127	2.4
157.10146	12.2
159.11729	16.1
161.09618	5.1
161.39822	2.2
163.11159	8.6
165.12750	2.4
169.10097	3.7
173.11777	4.4
177.12730	5.1
181.12099	2.9
189.11244	5.7
210.16968	2.4
223.13263	27.2
227.12784	12.9
229.14330	12.5
249.14740	3.7
253.14320	3.3
254.77119	2.4
269.17358	17.3
273.18549	21.1
275.20038	22.9
291.19507	99.5
291.22791	4.2
309.20612	2.3
349.23828	18.9
365.23199	44.9
367.24829	4.7
410.47626	2.6
519.33112	32.9
541.35120	9.2
559.36224	61.1
621.41400	3.9
639.42340	40.0
657.43042	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	870.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	21.8
62.36882	1.2
64.33546	1.4
65.03911	1.5
67.05491	51.5
69.03417	13.1
69.07059	15.0
69.51855	1.4
69.61861	1.4
71.04964	7.3
73.02892	12.5
79.05476	51.7
81.03397	100.0
81.07037	45.3
82.04178	2.8
83.04963	38.2
83.08601	34.8
85.02889	51.0
85.06519	2.3
91.03940	11.5
91.05463	57.6
93.07026	36.6
95.04948	49.0
95.05473	1.6
95.08578	20.7
97.02852	19.2
97.06507	12.0
97.10143	19.4
98.07304	7.5
99.08070	2.0
101.06004	1.5
105.07012	39.7
107.04948	15.4
107.08569	22.2
109.02870	1.9
109.06510	7.0
109.10114	11.5
110.56895	1.4
111.04408	6.3
111.08049	16.0
113.06034	2.7
115.05452	1.7
116.04685	18.6
117.07005	6.0
119.08559	32.2
121.06499	6.1
121.10121	18.6
123.08038	6.7
123.11713	1.6
125.09632	16.4
127.03909	2.6
127.11125	2.5
129.05463	39.6
129.06940	18.2
130.32816	1.3
131.08534	15.3
133.06482	3.3
133.10115	21.2
135.07983	2.0
135.11679	7.2
137.02351	3.2
137.09563	3.4
142.07771	6.2
143.07016	7.6
145.04936	1.8
145.10106	8.9
147.08009	6.6
147.11668	26.2
149.09616	11.1
153.09122	2.1
153.12708	2.0
157.08592	13.0
157.10114	20.8
158.05740	1.6
163.06114	1.8
163.11148	7.9
164.11951	1.6
165.12701	7.2
171.06490	3.0
171.10115	5.7
173.11743	2.2
175.11151	22.7
189.06642	1.7
189.11205	8.5
191.10724	2.3
191.36568	1.3
193.12204	58.7
199.13251	15.3
200.13977	2.3
201.14787	1.8
209.11728	5.4
210.12358	1.6
211.13252	71.8
218.02405	1.4
227.12743	15.5
247.13214	5.3
255.15842	3.3
265.14352	1.7
267.15869	28.4
283.15350	16.2
283.18179	2.0
285.16901	46.4
301.16382	41.7
321.32880	1.5
339.17892	2.1
409.25766	6.2
427.26691	7.8
439.26935	23.8
459.27429	3.2
466.29205	1.9
475.26825	6.3
477.28128	2.7
493.27838	22.2
494.28644	5.3
511.28903	67.1
512.29132	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	869.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76274	2.1
61.02911	3.7
67.05491	23.6
69.03426	5.0
69.07060	8.3
71.05013	1.9
73.02935	2.5
79.05468	19.1
81.03441	3.3
81.07037	19.4
83.04968	2.8
83.08604	1.8
83.78577	2.4
85.02892	4.7
91.03934	3.2
91.05465	21.8
93.07032	13.1
95.08600	4.8
97.02895	4.6
97.06533	2.7
99.04452	2.0
105.01457	2.0
105.07050	9.1
107.08584	8.0
109.06474	2.0
109.10151	3.0
117.07047	7.2
119.08578	4.7
121.10142	3.3
124.02712	2.5
131.08569	5.0
133.10164	4.8
143.08633	3.4
145.10210	2.4
147.11826	2.3
157.10089	2.5
158.66801	2.6
159.11729	2.7
243.08473	3.7
316.92233	1.9
362.94595	2.3
476.90714	2.3
495.03253	2.7
501.49277	2.3
509.38211	2.3
527.37335	2.2
559.29126	8.2
577.05737	2.4
621.41156	2.5
650.73474	2.8
869.50079	100.0
904.97760	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	869.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.7
61.74122	1.7
67.05505	9.5
69.03431	3.2
71.09445	1.7
73.02925	2.6
79.05486	11.2
81.07059	9.0
85.02905	6.5
91.03940	2.9
91.05505	8.5
92.09336	3.9
93.07060	7.9
95.08628	3.7
97.02889	3.8
101.02422	2.1
105.07026	6.9
107.08588	2.5
109.06536	2.4
112.14816	1.8
117.06978	2.4
119.08575	2.5
121.10179	2.0
131.08578	2.9
185.04286	2.4
229.45566	1.8
243.08446	3.8
282.78244	2.0
301.08951	3.0
312.81641	1.8
313.54626	1.7
315.10629	3.2
344.15271	1.9
360.99857	1.7
425.26617	1.8
519.29443	4.2
869.50159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	8.8
67.05499	13.7
69.03414	2.6
69.07064	3.5
73.02905	2.8
79.05467	12.5
81.03423	2.9
81.07049	11.5
85.02889	6.0
86.09693	1.8
91.03969	1.7
91.05459	14.3
93.07037	9.3
95.04958	2.3
95.08616	6.3
97.02880	7.4
101.02383	2.8
101.42809	1.5
105.07043	12.0
106.36306	1.3
107.08599	5.8
109.06551	1.3
109.10156	1.8
117.07014	3.1
119.08582	5.8
121.06565	1.4
121.10136	1.7
127.03838	2.4
129.07002	1.5
131.08545	3.3
173.13228	1.6
184.07330	2.8
186.77762	1.4
243.08424	3.2
275.20142	2.1
315.46246	1.5
357.20490	2.2
377.41071	1.8
441.88834	1.5
491.40875	1.6
535.28833	3.0
575.28241	5.6
648.48285	1.7
835.46326	1.9
862.28558	1.8
869.49963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4857
Annotation	Brevetoxin A
Peak:m/z	Relative Intensity
61.02925	3.6
63.12899	1.2
67.05495	17.1
69.03423	5.9
69.07066	7.5
70.00865	1.5
73.02923	3.1
79.05467	15.4
81.03397	1.7
81.07037	12.2
83.04993	1.7
83.08617	2.2
85.02891	3.6
91.03970	1.6
91.05472	17.2
93.07029	12.1
95.08614	6.1
97.02898	7.0
97.06526	2.5
105.07032	12.0
106.07354	2.4
107.08624	3.9
109.10139	3.3
117.07037	9.3
119.08595	8.6
121.10150	2.2
129.07016	2.8
131.08572	8.3
133.10158	2.7
135.08083	1.6
135.10545	2.0
135.11621	1.6
141.07077	1.4
143.08569	2.1
145.10149	3.2
146.89178	1.6
147.11684	1.9
155.08546	2.0
157.10123	2.1
159.11751	2.6
165.53281	1.6
184.07375	1.7
191.81754	1.8
196.93149	1.6
233.30063	1.5
236.50014	1.5
243.08528	2.4
291.19589	2.6
358.99738	1.6
401.62558	1.9
415.68927	1.7
437.14182	1.9
533.27618	2.6
559.28656	3.0
769.40778	2.3
867.48560	100.0
868.48505	6.1
894.53174	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	868.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	10.0
67.05142	2.4
67.05493	42.3
69.03412	2.4
69.07055	18.7
71.08295	1.4
71.08612	13.4
73.02900	3.8
79.05482	21.4
81.03409	2.3
81.07037	40.4
83.04967	9.0
83.08616	7.1
85.02905	11.5
85.06531	7.1
85.10171	11.7
86.09733	1.6
91.03939	4.1
91.05457	29.5
93.07013	21.4
95.04963	3.6
95.08589	21.7
97.02900	3.4
97.06489	3.4
97.10176	2.4
105.07008	29.5
107.04958	1.9
107.08574	30.0
109.06537	2.0
109.10146	44.0
117.07042	5.8
119.08564	6.9
121.10133	3.1
121.84247	1.6
123.11691	9.7
125.00042	1.7
131.08551	8.5
133.10104	55.2
135.11656	1.7
143.08574	6.7
147.11674	2.0
151.11166	21.5
157.10123	1.8
159.11749	1.8
160.98087	1.8
171.11734	2.5
184.07329	2.3
253.14305	100.0
271.15320	15.4
313.27301	42.9
509.38300	57.2
527.08972	1.7
651.36224	2.0
757.81049	1.8
867.48059	3.8
868.48242	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	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.6
67.01861	0.4
67.05500	0.5
68.99776	9.2
77.03876	0.5
79.05468	0.6
81.03394	3.0
81.70720	0.4
83.04992	0.6
85.02886	0.5
89.03889	0.6
89.35232	0.4
91.05471	0.8
92.09322	0.7
93.03385	2.4
95.04944	2.6
99.04427	1.0
103.05466	1.0
105.03400	0.6
107.04936	6.1
109.02841	4.1
110.68972	0.4
111.00793	7.6
111.04436	9.5
112.26341	0.4
115.05431	1.0
117.03377	1.7
119.04881	3.2
121.02854	3.0
123.04408	59.0
124.04778	0.5
127.03896	100.0
129.06985	0.7
131.04906	4.7
135.04396	62.9
137.02319	5.7
137.05960	0.7
139.03880	54.2
141.01724	0.5
141.06975	0.7
143.04890	1.0
145.06415	0.7
147.04391	8.4
149.02336	9.2
149.05977	2.9
151.03885	12.3
153.01762	0.7
153.05415	0.7
155.04889	1.9
157.06458	1.0
159.04370	5.2
161.02409	0.6
161.05959	5.1
163.03877	57.6
165.01825	0.7
165.05466	6.4
167.03394	6.1
167.04749	0.8
169.05023	1.0
169.06462	2.4
171.04391	0.6
173.05951	5.4
175.03909	3.5
175.07486	0.5
177.05458	8.7
179.03363	8.6
179.64494	0.5
181.04961	1.6
181.06401	0.6
183.04419	1.7
185.05954	2.0
187.03833	9.9
187.05261	0.5
187.07529	0.9
189.05453	3.4
191.03352	10.5
193.04953	3.7
197.05984	5.5
199.07542	0.7
201.05434	9.7
203.03380	13.0
203.06990	3.0
205.04924	3.6
207.02882	0.6
207.06490	2.2
209.05954	0.5
213.05467	2.8
215.03445	3.8
215.06976	4.2
217.04817	3.2
219.06462	0.8
223.02393	0.7
223.07535	0.5
225.05508	2.4
227.03291	0.6
229.04932	12.4
230.05617	0.5
231.06438	3.4
233.04404	7.0
237.05446	0.9
239.06979	0.4
241.04907	2.0
243.06479	6.4
245.04399	48.8
246.04666	1.0
247.05980	34.6
251.05402	0.7
253.04953	1.9
255.06461	3.0
257.04385	14.5
258.05017	2.6
259.05942	8.5
261.07608	1.0
263.05481	0.8
269.04446	5.3
270.05063	0.5
271.05930	23.0
273.07397	0.8
274.04706	2.2
275.02347	0.6
275.05417	15.5
279.06277	0.5
281.04257	2.3
283.05966	10.5
285.03973	0.9
285.07315	0.4
287.05438	21.4
288.05829	2.8
289.07007	18.5
291.08582	12.8
295.06009	2.5
297.04016	1.0
297.07346	0.7
299.05463	4.6
301.06985	7.3
303.08902	0.5
307.06018	0.5
309.03940	0.9
311.05637	1.9
313.07120	0.6
321.04117	0.7
321.07291	0.7
323.05353	2.1
323.09052	0.7
333.07526	0.6
345.07318	0.6
351.04837	2.5
361.07031	0.7
363.08502	0.7
365.06287	1.0
367.30060	0.6
377.06555	0.6
379.07950	2.1
383.07800	1.8
389.06396	0.7
391.07974	1.8
393.05838	3.1
395.07318	1.8
397.09070	3.8
401.06494	0.6
405.05991	2.3
407.07483	11.0
409.09116	15.2
411.10623	2.5
419.07401	2.6
421.09171	1.0
425.08591	4.4
427.10168	11.6
433.09027	1.0
437.08551	4.5
439.09915	0.8
449.08578	0.9
451.10211	2.5
453.11771	0.7
517.11279	0.8
527.09259	0.9
535.11707	0.5
545.10614	2.6
549.68848	0.6
559.12201	0.6
561.12878	0.5
571.12555	0.7
577.13165	0.8
579.14771	5.0
589.13019	0.7
697.15082	1.6
875.02405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18678	3.2
67.05489	66.2
69.03417	4.1
69.07056	23.8
71.08625	15.0
73.96936	4.0
79.05482	71.8
81.03407	5.0
81.07043	69.4
83.04988	7.1
91.05473	100.0
91.52101	3.3
93.07028	70.2
95.04961	8.4
95.08602	39.4
97.02822	5.0
97.06526	4.1
105.07019	61.0
107.04963	6.3
107.08578	38.7
109.06495	7.5
109.10166	6.9
115.05421	7.1
116.63345	3.7
117.07025	49.6
119.08558	34.4
121.06486	7.3
121.10095	15.1
128.06209	6.2
129.06975	34.2
131.08566	46.7
132.20059	3.7
133.10085	29.2
135.08147	4.6
135.11703	5.6
135.95927	3.8
141.06967	16.3
142.07753	5.3
143.08580	21.6
145.10107	27.6
147.08076	6.0
147.11664	15.9
149.09698	4.1
155.08565	20.2
157.10143	14.9
159.11668	16.0
161.13329	5.2
167.08598	8.1
169.10153	19.8
171.11668	4.2
173.13228	5.7
181.10132	15.2
183.11694	8.4
185.13268	6.8
199.14699	4.4
213.12578	4.6
233.13225	5.0
259.20566	6.0
333.24185	16.6
335.25888	5.5
362.37369	4.1
393.21204	4.5
399.58969	4.4
414.08749	4.2
529.60382	5.1
534.59943	4.0
551.37262	14.2
625.57520	4.3
633.45215	5.0
651.45441	5.3
866.46362	8.6
887.98102	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	865.197
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99757	2.5
71.85614	0.4
81.03394	0.5
92.08709	0.5
95.04961	0.5
107.04920	0.5
109.02916	0.4
111.00787	1.6
111.04393	0.6
119.04909	0.7
121.02831	1.4
123.04414	11.4
127.03884	4.6
129.06972	0.4
131.04866	0.5
135.04395	5.6
137.02310	11.9
137.03351	0.5
139.03877	10.4
145.06488	0.4
147.04350	3.7
149.02299	5.7
149.05986	0.5
151.03856	2.5
153.01805	3.1
155.03360	0.8
157.06487	0.4
159.04391	0.6
161.05954	1.6
163.03876	9.5
165.05450	0.3
171.04356	0.4
173.05997	0.5
175.03885	3.4
177.01779	0.4
177.05417	2.0
179.03404	0.8
181.06470	0.3
185.06020	2.5
187.03867	1.7
189.05429	2.0
191.03355	2.2
191.07178	0.5
193.04918	1.3
197.05972	1.4
199.03992	1.2
201.05467	2.2
203.03339	5.4
205.04834	0.4
213.05481	4.3
215.03419	0.5
217.04887	0.7
225.05371	0.3
227.03326	1.3
227.06866	0.4
229.04916	3.6
231.06493	5.7
233.04594	0.6
237.05391	0.6
241.04878	2.7
245.04422	5.3
247.05933	7.2
253.04825	0.6
255.06441	0.7
257.04395	16.3
258.05084	0.6
259.05954	7.0
269.04385	3.5
271.05920	5.6
273.07507	0.7
281.04395	0.7
283.05948	4.0
285.03860	0.7
287.05441	100.0
288.05710	2.7
289.07016	1.4
299.05426	2.1
301.07037	4.4
311.05396	0.7
323.05066	0.4
333.04163	0.4
361.06799	1.4
373.07019	0.5
377.06262	0.6
389.06519	0.8
391.08011	0.8
393.06052	0.4
395.07455	0.7
403.08344	0.5
407.07465	1.4
409.09167	6.3
411.10788	4.8
413.08557	3.3
417.05670	0.6
425.08417	0.6
427.09912	0.6
431.07590	0.8
447.07071	0.5
449.08731	0.7
525.08215	0.6
533.10730	13.0
543.08710	3.2
557.10278	1.4
561.10400	0.7
569.10919	0.7
573.09686	1.6
575.11633	0.4
695.13879	6.9
713.15265	5.0
724.19244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.3
68.99776	2.4
72.39023	0.2
75.33553	0.2
89.22260	0.2
95.04935	0.2
105.03372	0.4
107.04941	0.9
109.02876	0.3
111.00765	1.0
111.04419	1.0
115.04632	0.2
115.05444	0.4
117.03300	0.2
117.51109	0.2
119.04882	0.5
121.02844	0.9
123.04398	12.7
127.03867	4.3
129.06970	0.2
131.04939	0.5
133.06421	0.3
135.04376	5.1
135.05362	0.3
137.02313	13.2
137.03296	0.7
139.03873	9.1
141.06992	0.4
143.04863	0.4
144.44562	0.3
145.02768	0.2
145.06396	0.4
147.04366	4.4
149.02306	5.7
149.05991	0.5
151.03876	2.7
153.01781	2.4
155.03334	0.9
155.04916	0.2
157.06476	0.6
159.04346	1.1
161.05959	2.1
163.03874	9.7
165.01790	0.4
165.05481	0.9
167.03358	0.5
167.04785	0.3
171.04350	0.4
173.05873	0.5
175.03853	3.6
175.07393	0.2
177.05408	1.5
179.03366	1.5
179.06870	0.3
183.04283	0.3
185.05980	2.3
187.03876	2.3
189.01819	0.4
189.05370	2.4
191.03394	1.9
193.04892	0.9
197.05943	1.0
199.03809	1.1
201.02023	0.2
201.05409	2.0
203.03362	5.6
203.06915	0.5
205.04903	0.5
207.06667	0.7
213.05408	5.1
215.03436	0.4
217.04871	1.2
218.05705	0.3
221.04398	1.2
225.05424	1.1
227.03329	1.1
229.04880	3.8
231.06482	6.1
233.04312	0.5
237.05489	1.1
241.04872	2.7
242.05751	0.4
242.39311	0.3
243.06422	0.9
245.04372	5.3
247.05949	8.8
253.04842	0.5
255.06348	1.7
257.04364	20.0
258.05026	1.4
259.05914	7.6
262.13986	0.3
265.04895	0.4
269.04355	3.8
270.05093	0.4
271.05850	3.8
273.07428	0.4
275.05389	1.4
281.04480	1.0
283.05875	4.5
285.03870	1.1
285.07230	0.4
287.05423	100.0
288.05804	1.4
289.07104	1.1
295.05496	0.3
299.05383	1.8
301.06979	4.3
307.06036	0.4
309.07693	0.3
311.05414	1.0
329.07718	0.4
351.04974	0.5
361.06940	1.1
365.06369	0.5
373.07050	0.6
377.06509	0.6
379.07751	0.5
389.06616	0.5
391.07996	1.2
393.05902	0.3
395.07416	0.9
403.08234	0.3
407.07852	1.6
409.09079	7.7
411.10660	4.5
413.08481	2.1
417.05777	0.5
419.07349	1.0
425.08295	0.9
427.09949	0.3
429.05704	0.3
431.07584	1.0
447.07025	0.9
449.08517	1.0
453.11472	0.4
483.07516	0.3
525.07861	1.0
533.10669	12.6
543.09082	3.6
557.10712	1.0
561.10352	0.5
569.10919	0.4
573.09869	1.3
575.11658	0.3
581.73889	0.3
632.69183	0.3
677.11987	0.3
695.13745	6.1
713.14734	5.6
855.32324	0.3
886.17725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.8
61.52154	4.2
67.05489	95.2
69.03408	7.3
69.07061	34.0
71.04980	4.7
73.02893	3.9
78.22485	3.3
78.48221	3.4
79.05482	74.8
81.03393	7.9
81.07039	84.9
83.04967	14.8
83.08619	8.1
85.02895	6.8
88.72225	3.5
91.05460	100.0
93.07030	77.9
95.04963	16.1
95.08590	51.2
97.02879	5.7
97.06516	13.6
97.10149	3.9
105.07021	68.4
107.08598	30.4
109.06522	5.2
109.10146	8.3
115.05450	5.4
116.06233	4.1
117.07006	53.7
119.08549	47.5
121.06604	5.3
121.10107	15.5
128.06189	15.4
129.06990	49.3
131.08562	55.2
133.10133	23.8
135.08026	7.0
135.11618	7.0
141.06938	26.3
143.08546	37.6
145.10078	36.3
147.08092	5.9
147.11688	7.0
149.09656	5.0
153.06947	5.4
155.08485	28.5
157.10080	31.9
159.11662	19.4
161.09616	5.4
161.13252	5.2
165.07021	5.4
167.08540	16.5
168.09285	4.4
169.10071	27.0
171.11690	23.7
173.13217	7.3
179.08490	8.3
181.10121	20.2
183.11652	14.5
185.13260	7.1
193.10097	6.1
195.11685	8.4
197.13226	6.2
199.14848	14.2
207.11635	5.9
209.13243	4.4
223.14844	3.8
255.15750	5.0
265.19550	7.3
269.17484	18.4
276.40646	3.6
283.20480	23.2
313.13495	4.1
338.21158	3.5
349.23630	4.6
357.24411	4.4
367.24768	5.5
442.13651	3.7
569.37561	4.8
649.43982	14.2
700.58929	4.2
863.47479	4.5
864.47107	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	864.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.7
63.72948	2.1
65.03908	3.8
67.05496	89.0
69.03411	9.4
69.05528	2.3
69.07049	30.3
71.04973	4.8
71.08609	2.7
73.02891	3.4
77.03935	2.3
79.05480	85.7
81.03406	7.9
81.07040	82.6
83.04979	13.1
83.08600	13.6
85.02911	12.0
85.06505	3.3
91.05463	100.0
93.07026	75.3
93.07462	2.4
95.04961	17.1
95.08575	45.0
97.02856	8.7
97.06522	11.1
97.10131	4.6
97.25117	2.1
103.05493	5.0
103.75041	2.2
105.07013	65.0
107.04940	8.6
107.08588	39.6
109.06499	9.3
109.10129	16.9
111.08063	3.1
115.05435	8.3
117.06995	57.5
117.87714	2.1
119.08566	44.2
121.06469	3.0
121.10120	24.0
123.08042	4.2
127.03921	4.0
128.06226	15.0
129.06990	57.6
130.07741	3.8
131.08554	59.5
133.06479	4.4
133.10126	30.5
135.08037	12.1
135.11667	13.9
141.06972	27.1
142.07806	5.1
143.08557	36.5
145.06509	3.5
145.10120	37.9
147.08040	8.0
147.11705	14.9
147.75909	2.2
149.09644	9.2
149.13242	4.9
152.96274	2.3
153.07043	2.8
155.08554	25.5
156.09294	4.1
157.10098	30.0
159.11656	16.4
161.09558	2.4
161.13249	10.2
163.11121	4.3
165.06914	4.9
167.08548	19.0
168.09377	2.8
169.10088	23.8
171.11665	27.0
173.09628	2.6
173.13240	10.8
175.11174	3.2
175.14798	3.2
177.20421	2.2
179.08565	2.6
181.10094	21.0
183.11661	21.7
185.13240	13.6
187.11250	3.5
189.12746	3.9
193.10187	4.6
195.11641	17.1
197.13268	12.9
199.11293	3.0
199.14850	10.7
201.12749	3.9
207.11737	3.1
209.13283	11.3
211.14777	5.0
213.16498	3.8
221.13237	5.0
223.14731	8.8
227.14403	2.8
233.13158	2.2
237.16435	3.8
241.19531	3.7
255.15877	4.5
261.16522	2.2
265.19507	15.9
269.17499	16.6
275.20001	10.1
283.20593	20.3
287.94333	2.3
333.24222	2.3
349.23694	3.8
357.24216	10.4
363.45407	2.7
367.24731	14.1
485.32285	3.3
551.37146	9.7
569.38104	4.2
591.52008	2.6
631.42999	10.6
649.44470	15.5
864.48322	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	863.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.9
67.05499	7.2
69.03422	3.7
69.07066	1.6
69.24686	0.8
70.10094	0.7
71.01816	0.7
71.04984	0.8
73.02902	4.8
75.04514	0.8
79.05466	5.9
81.03415	1.6
81.07037	6.9
82.20691	0.8
85.02898	6.0
91.03962	4.8
91.05463	5.6
93.07034	9.3
95.08613	3.4
96.14995	0.8
97.02875	4.2
97.10171	1.2
101.02363	1.8
105.07021	4.0
107.08620	3.6
109.02907	1.5
109.10154	1.4
117.06999	1.1
119.08587	1.9
121.10114	3.0
131.08553	1.4
131.13168	0.7
133.10115	1.3
143.08618	1.0
173.71297	0.8
181.80667	0.8
184.65118	0.8
185.04254	1.0
243.08492	3.6
301.09244	2.9
351.21643	1.7
351.34656	0.8
390.10385	1.0
535.28485	6.5
569.29480	9.5
732.78497	0.9
863.51178	100.0
864.52197	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	862.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59005	2.9
61.02901	3.3
62.67149	2.6
65.03925	4.6
66.44376	3.0
67.05498	78.2
69.03417	7.4
69.07061	43.2
71.04964	4.4
79.05473	79.7
80.18812	3.4
81.03410	15.7
81.07037	72.9
83.04984	7.1
83.08607	20.7
85.02887	5.5
88.76968	2.7
90.70190	2.7
91.05466	100.0
92.08681	7.1
93.07021	62.2
95.04958	19.0
95.08592	46.0
97.02860	7.2
97.06520	7.5
97.10145	15.0
105.07023	67.2
107.04958	22.5
107.08582	30.1
107.09229	2.9
109.06493	5.1
109.10146	19.1
115.05431	6.0
116.06205	2.9
117.07008	57.5
117.29578	2.9
119.08561	42.0
119.45112	2.9
121.06481	4.0
121.10125	21.7
123.08041	3.7
125.09599	6.4
128.06186	6.0
129.05467	4.3
129.06993	48.7
131.08551	55.9
133.06502	4.4
133.10104	29.0
135.08060	6.3
135.11691	4.8
137.09645	5.9
141.06970	20.9
142.07791	4.3
143.08562	33.1
145.10085	28.1
147.08057	4.5
147.11681	13.9
155.08572	25.3
157.10123	27.8
159.08008	4.4
159.11676	16.9
161.13313	5.3
163.11206	4.8
165.07051	3.5
167.08545	5.5
168.09294	4.4
169.10077	23.9
171.11642	15.4
173.13237	3.5
175.11099	4.3
177.12671	3.7
181.10085	22.2
183.11662	12.3
185.13258	6.9
187.11194	4.2
195.11641	7.5
197.13199	4.7
199.11226	5.6
199.14821	16.0
203.14294	3.3
209.13231	7.1
223.13283	17.4
227.12605	4.0
265.19507	6.0
273.18405	3.7
275.20087	12.9
283.20538	30.6
291.19485	62.5
300.83527	3.4
305.95798	3.1
345.12912	3.4
349.23615	15.8
357.24207	4.9
359.25787	5.6
365.23093	32.9
381.22720	5.0
422.00006	3.6
553.34735	4.3
567.36719	24.0
647.43353	21.8
665.43646	17.7
827.61890	3.5
862.50159	7.2
870.49695	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	861.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.6
67.05508	6.3
69.03438	1.9
69.07063	1.3
71.04985	3.1
73.02914	4.6
74.12040	0.8
79.05466	6.2
79.67726	0.7
81.07044	8.4
85.02907	5.6
91.03976	1.7
91.05478	3.6
92.08700	1.5
93.07020	7.2
94.20264	0.9
95.08599	1.8
97.02894	4.5
101.02375	1.2
105.07079	1.6
107.08615	4.4
117.06967	1.0
119.08604	1.8
121.10123	1.6
127.03915	1.1
131.08656	1.0
151.88718	0.9
178.55756	0.9
243.08408	1.3
365.23099	3.5
381.34912	0.8
407.23666	0.8
519.29456	6.4
535.79785	0.9
578.70050	0.9
583.30853	6.3
655.84344	0.9
721.36670	0.9
751.03131	0.9
822.85767	1.1
861.53241	100.0
862.53223	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	861.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19317	2.2
60.30076	1.8
62.74926	1.8
64.88537	2.1
67.05504	24.6
69.07050	5.4
71.08613	16.5
74.21927	1.9
79.05474	26.0
81.07037	24.7
83.04981	3.7
83.08595	8.9
85.10183	11.3
91.04977	2.3
91.05452	22.6
93.07021	24.7
95.04218	2.0
95.04931	4.7
95.08582	22.3
97.10192	3.2
99.52946	2.3
105.07007	20.5
107.08590	4.9
109.06455	2.7
109.10148	4.4
119.08566	9.4
129.06970	8.5
145.10135	2.9
147.11635	13.0
161.13278	2.6
164.26813	2.4
171.11690	10.1
184.07338	2.4
189.12596	2.8
207.13879	2.3
220.13106	2.1
244.83623	2.8
281.17459	14.6
313.27332	41.1
367.13760	2.3
392.01804	2.2
427.03384	2.3
483.57587	2.8
519.32617	4.7
519.40369	100.0
526.67029	2.8
591.69824	2.2
658.54669	2.6
697.38300	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	861.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	9.3
64.99742	1.6
67.05490	15.5
69.03432	3.8
69.07065	7.1
71.05002	1.5
73.02909	9.9
79.05486	10.5
81.03404	3.7
81.07046	17.5
83.08614	2.0
85.02911	10.4
91.03941	3.7
91.05476	10.6
93.07041	14.5
95.04980	3.3
95.08588	7.1
97.02892	8.8
101.02361	3.4
105.07029	8.6
107.04933	2.2
107.08604	8.4
109.06495	2.3
117.07044	3.5
119.08614	3.3
121.10123	3.5
129.06999	2.2
131.08568	2.8
133.10175	2.2
135.11627	2.3
145.10194	3.5
213.93533	1.9
214.06844	2.1
243.08476	6.8
273.08127	1.8
312.71637	2.0
342.37366	1.8
439.19653	3.9
453.21063	2.8
465.20798	13.3
535.28308	3.9
551.28052	17.8
733.41547	7.8
775.42194	84.3
843.48480	13.5
860.47583	20.6
861.48975	100.0
862.48438	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	861.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.8
67.05499	16.6
69.03419	6.1
69.07064	9.0
73.02904	9.4
79.05489	15.3
80.58421	1.3
81.03386	2.9
81.07037	12.1
83.08620	2.7
85.02906	10.1
86.77880	1.6
91.03962	6.1
91.05481	16.3
91.26152	1.3
93.07014	12.6
95.04966	3.5
95.08605	7.9
97.02892	7.3
97.06563	2.1
99.04504	2.0
101.02363	2.7
105.07043	7.9
106.00362	1.6
107.04947	2.1
107.08599	6.7
109.10219	2.3
117.07013	2.7
119.08607	6.6
127.03930	3.3
128.06252	1.9
129.06979	2.9
131.08580	1.9
133.10095	2.8
145.10143	6.0
146.62300	1.5
147.11722	1.7
171.11792	2.3
243.08479	9.2
301.08987	3.2
331.14267	1.8
333.20471	7.6
385.18430	2.0
426.92282	1.8
453.20404	1.9
465.20908	18.4
525.23517	6.5
533.34064	1.7
535.28687	7.3
551.28192	15.7
763.42432	2.4
775.42230	86.5
843.48456	13.9
860.48981	6.4
861.49158	100.0
862.48615	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	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.5
67.05489	10.9
69.03428	4.7
69.07069	2.0
73.02890	2.1
79.05482	8.1
81.03394	2.1
81.07038	10.4
83.08598	1.6
84.05314	1.0
85.02895	4.7
86.09681	1.0
89.63828	1.0
90.76524	0.9
91.03934	1.9
91.05485	8.1
91.83720	0.9
93.07040	5.5
93.14713	1.0
95.04942	1.7
95.08610	4.4
97.02884	2.4
101.02399	1.6
105.07005	2.1
107.08594	4.2
109.06540	1.2
109.10199	1.4
111.04414	1.0
117.07000	1.8
119.08572	1.5
120.17935	1.0
131.08553	2.2
133.10172	1.2
134.59142	1.0
135.11714	2.1
143.08636	1.3
160.06441	1.0
178.04243	0.9
184.07407	4.5
184.78610	1.0
189.82875	1.1
230.78369	1.0
243.08499	2.3
308.12109	1.2
333.20596	4.4
336.57285	1.0
439.18961	1.1
448.97977	1.3
551.28247	13.1
683.93359	1.3
861.49536	100.0
862.49597	1.7
886.13037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.0
62.27351	0.2
63.56893	0.3
64.68655	0.3
66.02081	0.3
67.05492	5.9
68.70811	0.3
69.03421	3.0
69.07056	2.7
71.04978	0.8
73.02898	4.0
79.05475	5.6
81.03406	2.1
81.07049	6.5
83.04980	1.2
83.08611	0.8
85.02895	5.0
87.04476	0.3
91.03941	2.2
91.05467	5.0
93.07029	5.5
95.04979	2.1
95.08093	0.3
95.08579	2.7
97.02879	3.7
97.03306	0.2
97.06532	0.5
99.04459	0.7
101.02385	2.1
105.07008	3.4
106.27097	0.3
107.04945	0.4
107.08601	2.4
109.02934	0.5
109.06569	0.5
109.10143	0.6
111.08050	0.3
117.07027	0.7
119.08579	2.7
121.10162	0.7
123.08105	0.4
127.03934	0.4
131.08611	1.4
133.10139	1.9
135.11720	1.2
145.10135	1.3
147.11696	0.8
163.11214	0.4
184.07298	0.6
185.17799	0.3
243.08307	4.2
301.08887	0.4
333.20309	4.9
389.22916	0.7
423.06842	0.3
439.19278	3.0
453.20822	2.2
469.20764	0.7
551.28192	14.1
552.28772	0.4
740.92603	0.4
860.48468	1.8
861.49542	100.0
862.49683	4.1
894.81708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4812
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02927	4.4
67.05495	11.8
69.03392	5.1
69.07054	5.2
71.01369	0.6
71.05012	0.6
73.02907	3.9
79.05470	11.4
81.03413	3.0
81.07040	10.1
83.05011	0.8
83.08620	1.0
85.02895	5.1
91.03980	2.8
91.05457	7.9
92.05838	1.0
93.07017	8.7
94.07369	0.9
95.04958	3.2
95.08584	6.0
97.02840	4.5
97.06548	1.4
99.04443	1.3
101.02365	1.4
105.07001	8.7
106.07382	0.8
107.04964	1.4
107.08580	4.9
109.06552	1.3
109.10157	1.6
109.40986	0.7
113.66296	0.6
117.07030	3.3
119.08575	3.9
121.06522	1.3
121.10156	1.6
125.09626	0.7
127.03955	1.0
129.05487	0.8
129.07004	1.0
131.08589	2.7
133.10162	3.4
135.08009	1.0
135.11737	1.2
143.08537	0.7
145.06401	0.7
145.10132	1.2
147.11682	1.1
149.09547	0.7
149.13332	1.1
157.10185	1.2
159.11719	1.1
160.74289	0.8
161.04665	0.6
163.11221	0.8
167.97295	0.6
169.10182	0.8
193.12416	0.7
243.08298	4.4
301.08759	0.9
311.88861	0.7
313.17712	0.7
331.18918	3.8
333.20386	3.8
354.13379	0.8
406.94046	0.8
431.66098	0.8
451.19641	1.2
531.25720	2.5
549.26617	2.4
551.28174	6.9
651.93121	0.7
761.40698	1.4
841.46802	6.5
859.47931	100.0
860.48596	6.2
880.70154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.1
67.05509	8.2
69.03423	1.8
69.07057	2.4
79.05478	11.6
81.07041	9.7
82.00027	1.3
83.08633	1.8
85.02914	2.7
87.08681	1.4
91.03938	1.5
91.05497	7.5
93.07047	7.9
95.08607	5.2
97.02909	5.8
97.10131	1.5
97.65244	1.2
105.06991	4.3
107.08614	2.4
109.10154	2.1
119.08589	5.1
121.10162	2.1
121.69343	1.3
133.10175	2.9
140.63635	1.3
212.64279	1.3
216.08987	1.4
243.08464	5.9
301.08838	1.5
463.69308	1.4
535.29010	9.3
565.30157	2.7
807.27783	1.5
859.51538	100.0
860.51819	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	861.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.3
61.22269	1.6
67.05486	4.2
69.03400	2.0
69.07047	2.6
71.04988	1.6
73.02891	4.1
73.14922	1.7
79.05473	7.2
81.03416	1.7
81.07030	6.8
83.08613	1.6
86.09688	3.0
91.03940	2.7
91.05460	2.8
92.09405	3.2
93.07037	3.5
111.88666	1.6
123.08034	1.7
124.99958	3.2
127.03966	2.3
135.07983	1.7
184.07347	9.9
185.04146	2.3
243.08325	2.1
268.67221	1.6
290.27869	1.8
316.31311	1.9
321.16769	2.8
365.19327	2.7
519.29688	11.7
539.24683	2.7
713.06512	2.0
817.45624	3.1
856.62482	2.2
860.51294	3.2
861.49500	100.0
862.49976	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02919	4.7
64.33683	0.6
65.09977	0.4
67.05500	8.6
69.03421	4.5
69.07053	6.0
71.04958	0.5
71.47961	0.4
73.02911	3.4
79.05475	8.3
81.03405	4.3
81.07035	9.0
82.07418	0.6
83.04990	1.9
83.08593	1.1
85.02887	3.7
91.03954	2.8
91.05473	5.5
93.07014	7.3
95.04982	3.0
95.08582	4.5
97.02897	4.3
97.06544	1.0
97.10186	2.5
101.02359	0.9
105.07004	5.1
107.04951	1.8
107.08581	4.0
109.02896	0.5
109.06519	1.8
109.10175	2.1
110.80783	0.5
117.07026	1.9
118.45627	0.6
119.08608	2.7
121.10165	2.1
123.08105	0.5
125.09608	1.2
127.03928	0.6
129.07054	0.8
131.08598	2.2
133.10141	2.4
145.10117	0.8
147.11674	0.8
159.11804	0.7
189.11229	0.6
223.13222	0.9
243.08392	4.2
275.20264	0.7
291.19662	0.8
301.09253	0.5
315.10803	0.7
331.18942	0.8
333.20450	2.8
335.25793	0.8
387.03140	0.5
387.21378	0.5
389.23251	0.6
439.19531	0.8
441.69894	0.6
453.20776	0.6
465.21072	0.5
529.39319	0.5
535.28522	1.8
549.26678	6.3
551.28363	6.5
573.47180	0.5
577.56793	0.5
609.46643	0.6
703.64844	0.6
813.44354	2.2
859.47949	100.0
860.48242	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	859.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.7
63.19905	0.3
66.99058	0.3
67.05497	9.7
69.03419	4.5
69.07053	4.4
71.01321	0.4
71.04984	0.7
73.02905	4.0
75.46592	0.3
79.05476	8.4
81.03402	3.8
81.07044	10.0
82.07362	0.4
83.04964	0.7
83.08605	1.8
85.02898	3.9
85.06559	0.5
87.04443	0.4
91.03950	2.5
91.05463	7.5
93.07021	7.5
93.31874	0.5
95.04959	2.4
95.08589	6.0
97.02873	4.8
97.06530	1.7
97.10162	1.6
99.04466	0.5
100.68124	0.3
101.02379	1.6
103.03923	0.6
105.07017	5.5
107.04931	1.5
107.08578	5.3
109.02859	0.6
109.10159	2.1
110.13395	0.4
111.08091	0.5
117.07024	1.7
119.08541	4.7
121.10146	2.3
123.08095	0.6
125.09592	0.7
127.03993	0.5
129.07022	0.5
131.08563	1.8
133.10147	2.4
135.11720	1.8
143.08557	0.9
145.10162	1.8
147.07973	0.4
147.11745	0.8
151.11194	0.5
157.10139	0.8
159.11620	0.5
161.09651	0.5
163.11183	0.5
171.11719	0.7
175.11087	0.4
185.04256	0.6
203.05220	0.4
223.13330	1.7
243.08395	4.4
273.18524	0.5
291.19577	0.9
331.18933	2.3
333.20471	1.7
335.25897	1.5
387.21463	0.5
439.19235	1.8
453.21069	0.8
469.20084	0.5
517.38782	1.7
549.26550	6.5
551.28235	6.1
686.60034	0.5
755.79352	0.4
859.47919	100.0
860.49127	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	858.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10819	1.1
65.03925	3.0
67.05495	100.0
69.03429	2.7
69.07055	39.4
69.07404	2.1
71.04975	5.2
74.54361	1.2
78.80556	1.3
79.05471	73.5
81.03407	5.4
81.07040	100.0
83.04955	8.9
83.08595	19.2
85.02886	1.8
85.06535	2.5
86.09734	1.4
91.03915	1.5
91.05463	81.3
93.07024	83.0
95.04971	15.3
95.08589	55.3
95.38677	1.0
97.02907	1.5
97.06525	10.1
97.10175	9.1
99.08060	1.9
100.03740	1.2
103.05467	2.2
105.04571	1.6
105.07018	84.3
107.04935	6.5
107.08578	53.8
109.06502	11.1
109.09405	1.4
109.10143	36.9
111.08078	6.0
113.09661	1.2
117.06999	28.6
119.08565	66.1
119.09389	2.5
121.06482	2.9
121.10124	29.2
123.08031	2.3
123.11667	8.5
125.09648	5.1
128.06195	4.5
129.06978	18.1
130.07799	1.9
131.08546	43.6
133.10109	49.8
135.08057	5.1
135.11668	20.6
137.09595	5.1
141.07004	5.6
142.07817	3.1
143.08559	20.7
145.06406	1.5
145.10097	27.7
147.07994	2.2
147.11670	42.9
149.09636	8.5
149.13228	17.3
155.08554	8.4
157.10077	17.5
159.11668	26.9
161.09608	1.7
161.13248	16.3
163.11264	1.9
163.14937	2.4
165.12738	1.4
165.90096	1.1
167.08505	2.4
169.10092	11.9
171.11636	19.1
173.11795	3.7
173.13245	13.5
175.11102	1.6
175.14807	6.7
176.61227	1.5
177.12788	2.4
181.10138	2.4
183.11659	10.8
184.07307	8.0
185.13261	9.3
187.14803	4.7
189.12775	1.7
191.14394	1.3
195.11694	4.9
195.13718	2.0
197.13213	2.6
199.14857	7.0
201.12816	1.5
201.16449	2.0
207.11847	1.6
209.13190	4.7
211.14815	4.5
213.16438	2.2
215.17924	1.8
227.12730	2.0
229.14349	8.0
231.21086	2.1
239.17804	1.3
241.19469	11.7
257.19003	2.2
259.20532	37.6
269.17456	15.2
273.18539	2.2
275.20035	19.3
293.20950	2.3
315.23041	1.8
333.24194	33.4
349.23630	8.6
367.24844	14.1
435.32462	5.0
453.32831	1.7
487.33917	5.4
488.31119	1.4
505.35464	8.8
509.36118	5.1
513.35413	5.3
515.37958	5.3
527.29645	2.1
527.37250	43.4
533.39447	1.8
545.38348	13.3
583.42841	1.5
607.34991	1.3
607.43536	23.3
625.44452	28.1
643.45245	3.0
689.42212	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	857.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45083	6.3
64.71578	7.5
65.66473	6.7
67.05486	27.9
70.41072	6.2
71.08606	8.3
74.47443	6.6
74.74056	6.6
77.86302	7.7
79.05483	8.3
81.07040	30.9
87.94242	7.3
92.08575	16.8
95.08566	9.5
102.54810	6.2
122.95237	7.1
283.01883	100.0
338.59778	7.8
487.79489	8.5
498.55466	8.4
575.50482	13.0
757.58069	8.7
846.33337	8.0
857.50616	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.9
65.03912	1.1
67.05495	22.4
69.03421	34.9
69.07045	2.7
71.04980	15.6
73.02890	2.7
74.89006	0.5
77.04454	0.5
79.05465	5.1
81.03397	8.1
81.07040	6.2
83.04955	3.8
84.74202	0.6
85.02896	79.2
85.06536	15.5
87.04449	6.0
91.03937	3.4
91.05480	3.2
93.07011	5.8
95.04950	47.2
95.08578	4.4
97.02882	25.3
97.06507	9.0
99.04433	4.3
101.34845	0.6
103.03931	0.6
105.07001	4.3
107.08601	4.8
109.02876	8.1
109.06500	1.3
109.10149	2.8
111.04417	1.4
113.05994	100.0
114.37196	0.7
117.07036	0.6
119.04933	0.6
119.08576	5.3
121.10136	3.3
123.11638	0.6
125.05998	7.7
127.03903	16.9
127.07507	0.7
131.08531	2.2
133.10127	4.0
135.08022	0.7
135.11667	1.1
137.02332	0.8
137.05960	1.5
139.03940	0.9
143.08571	0.9
145.04944	18.5
145.08582	12.3
145.10097	5.2
147.11690	2.8
149.13271	0.9
153.05431	6.8
155.07005	6.3
155.08398	0.8
157.10124	2.8
159.11670	5.5
161.13242	1.2
163.06006	5.6
163.07323	0.8
169.10088	1.1
171.11682	1.4
173.13171	1.0
175.14792	3.2
179.07050	1.5
183.11684	1.1
185.13268	1.2
187.14821	0.9
189.07501	2.5
189.09067	0.9
189.16449	1.3
193.08603	0.8
199.14755	0.8
201.16310	5.6
215.17891	0.9
223.14694	0.7
235.14803	0.8
239.09131	1.0
241.11902	0.7
247.13184	0.7
257.10159	3.7
275.11133	2.8
276.05756	0.7
277.19476	1.0
291.21069	1.3
309.21906	1.0
319.20587	1.1
325.11230	8.2
337.21609	10.2
355.22650	19.8
373.23682	78.6
399.74130	0.7
517.31525	15.4
585.63226	0.7
636.57599	0.8
810.27228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	8.7
67.05489	9.5
69.03429	5.4
69.07066	4.7
71.08637	2.2
73.02917	6.2
76.67076	1.1
79.05486	8.1
81.03426	2.5
81.07050	11.9
83.08643	2.1
83.53978	1.2
85.02903	9.4
89.02969	1.1
91.03967	4.5
91.05486	5.1
92.08659	3.5
93.07058	7.4
95.08577	8.3
97.02869	10.7
97.10149	1.7
101.02380	2.0
105.07040	1.9
107.08602	2.7
107.46619	1.3
109.10171	4.3
111.38992	1.1
117.07025	1.5
119.08610	1.9
121.10165	1.5
127.03942	2.3
129.07021	1.6
135.11716	2.3
145.10130	1.6
166.40691	1.1
221.11475	1.7
243.08574	1.5
313.27393	2.4
335.26022	2.0
365.10568	1.3
405.13828	4.7
439.19641	5.2
497.30844	8.0
524.01099	1.3
601.24829	2.6
659.36200	8.6
695.44104	2.1
857.48578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.465
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02925	6.0
67.05495	12.4
67.19318	1.0
69.03432	5.7
69.07058	5.5
73.02910	4.8
77.70010	1.1
77.70572	1.2
79.05489	8.5
81.03416	2.8
81.07057	10.7
83.04989	1.9
83.08603	1.5
85.02896	2.1
85.06667	1.0
87.71575	1.3
91.05465	8.1
93.07007	8.8
93.13274	1.3
95.04952	3.0
95.08620	4.8
97.02875	5.8
97.10174	1.9
99.42455	1.2
101.02367	1.5
105.07047	6.5
107.04955	2.2
107.08604	5.6
109.10183	2.4
117.07009	2.3
119.08606	5.5
121.06541	1.3
121.10172	2.1
123.11710	1.6
125.09618	1.3
129.06981	1.7
131.08557	1.7
133.10150	2.6
135.07968	1.5
147.11774	1.4
163.67233	1.2
183.96725	1.2
184.07356	2.4
199.86813	1.2
243.08429	3.0
244.76509	1.4
313.17859	1.3
327.42337	1.3
331.18884	2.6
355.75052	1.5
522.65070	1.4
541.51453	1.3
549.26544	10.0
685.96136	1.4
730.44153	1.3
839.45837	6.9
857.46368	100.0
858.46198	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	856.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.2
65.03917	3.7
67.05495	100.0
69.03423	6.4
69.06709	1.5
69.07056	28.8
71.04978	12.7
78.08437	0.8
79.05476	70.3
80.58265	0.8
81.03410	9.2
81.07040	94.2
83.04973	8.0
83.05372	0.8
83.08604	13.8
85.02878	2.2
85.06524	4.3
86.09672	1.2
91.05460	53.3
92.08641	3.2
93.07025	76.5
95.04930	10.9
95.08588	51.6
97.02858	4.6
97.06513	14.6
97.10162	7.7
99.08103	1.4
105.04509	1.5
105.07013	34.7
107.04928	4.3
107.08578	45.3
109.06507	5.5
109.10142	39.1
111.04374	1.2
111.08061	5.9
115.05417	1.2
117.07000	18.6
119.08556	25.1
121.06492	2.0
121.10126	30.5
123.08052	3.8
123.11678	5.7
125.09616	5.8
127.03872	1.9
127.07536	0.8
128.06235	1.0
129.06960	5.2
130.07715	1.0
131.08545	24.1
133.10103	22.3
135.08051	5.0
135.11684	18.1
137.09570	1.6
138.17317	0.9
139.11156	1.8
141.06941	1.0
143.08554	4.8
145.10107	17.3
147.08067	1.0
147.11690	10.5
149.09583	7.1
149.13232	12.6
151.11110	1.8
155.08537	2.1
157.10136	5.9
159.11664	15.9
161.13258	6.1
163.11139	4.6
163.14767	4.2
165.12650	1.1
169.10091	1.3
171.11638	1.8
173.11708	4.9
173.13243	7.5
177.12865	1.7
183.11629	1.0
184.07336	1.2
185.13232	1.6
187.14835	3.5
195.13757	1.0
199.14758	1.7
201.16348	1.7
213.16379	0.9
219.93575	0.9
226.61688	0.8
227.12791	4.7
229.14270	14.5
233.18788	1.1
243.21040	1.8
253.17842	1.0
257.18970	1.7
261.22104	9.2
267.15665	1.2
269.17401	8.8
275.19986	14.4
289.21381	1.1
293.21082	1.1
331.22485	1.1
335.25769	58.8
335.29831	2.1
339.18045	1.9
349.23788	10.5
381.26221	1.9
411.28790	0.9
413.21588	6.5
489.35583	12.7
507.36536	2.0
511.37753	1.3
529.38770	79.6
530.39136	1.3
548.92883	1.0
569.41998	13.0
609.45062	26.8
627.45764	1.9
641.47577	9.5
673.43109	13.1
691.43799	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68630	1.2
61.02893	2.9
65.03913	2.6
67.05492	86.0
69.03414	12.4
69.06713	2.3
69.07058	47.1
71.01338	2.2
71.04972	8.9
73.02904	1.3
79.05476	83.5
81.03393	14.6
81.07038	100.0
82.07359	1.5
83.04964	21.9
83.08604	17.2
85.02891	6.7
85.06518	3.2
91.05463	69.9
93.07021	81.3
95.04945	20.4
95.08583	47.5
97.02867	5.6
97.06499	18.1
97.10144	8.6
99.04458	1.4
99.08063	1.8
105.07011	51.8
107.04940	14.9
107.08576	48.6
109.06499	11.1
109.10136	16.5
111.08083	6.4
117.06997	32.8
119.08572	41.6
121.06483	8.7
121.10113	24.0
123.04424	1.3
123.08042	7.0
123.11681	3.0
125.09606	7.0
127.03898	3.3
128.06233	2.6
129.05446	1.3
129.06989	14.9
131.08536	35.5
133.10106	32.2
135.08009	6.5
135.11667	20.3
137.09587	5.4
141.07011	5.1
142.07689	1.6
143.08549	12.6
145.06491	3.3
145.10104	24.4
147.07997	3.0
147.11642	16.6
149.09619	17.5
149.13243	11.7
151.11118	3.1
153.07034	1.4
155.08517	5.7
157.10118	10.7
159.11682	18.5
161.13254	5.3
163.11172	10.8
165.12711	1.7
169.10051	3.1
171.11667	8.9
173.04373	1.7
173.09549	1.5
173.13240	5.8
177.12660	2.6
181.10127	1.6
183.11714	3.0
185.13246	2.3
187.14821	2.8
195.11847	2.0
195.13774	5.3
197.13326	2.4
227.12746	6.0
229.19550	1.4
239.17841	1.7
251.16284	1.5
255.15909	8.5
257.18930	8.8
259.20660	1.5
261.15286	1.4
269.17429	29.0
275.20013	35.6
293.21048	2.6
349.23761	25.8
367.24692	6.4
435.27228	2.1
445.29391	1.8
449.29068	20.0
463.30493	19.7
503.33173	1.7
525.35480	5.5
529.35303	9.1
543.36761	31.7
547.35510	1.7
561.37280	6.8
583.40491	2.1
623.42767	5.8
641.43445	6.2
857.45728	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.8
64.12382	0.7
65.03926	3.5
65.45673	0.7
67.05492	82.6
69.03412	9.2
69.07056	38.5
70.88969	0.8
71.01355	0.8
71.04991	7.3
71.08587	0.8
73.02924	0.8
76.57402	0.7
77.03885	1.6
79.05476	73.5
81.03404	14.1
81.07040	100.0
81.84792	0.7
83.04965	14.1
83.08611	15.6
85.02892	4.4
85.06522	4.5
91.03930	1.2
91.05463	67.1
93.07027	71.6
94.53880	0.6
95.04948	18.1
95.08584	39.6
97.02864	3.6
97.06509	17.5
97.10151	10.0
99.04446	1.0
99.08099	2.6
103.05453	1.5
105.04505	1.4
105.07016	49.0
107.04941	13.1
107.08580	40.7
109.02853	1.4
109.06501	10.1
109.10153	14.1
111.04424	1.1
111.08027	6.0
113.09657	0.9
115.05410	1.6
117.07001	26.3
119.07710	1.4
119.08560	32.6
121.06473	5.4
121.10124	18.7
123.04403	1.1
123.08054	4.7
123.11674	5.2
125.09588	6.6
127.03893	3.1
128.06229	2.9
129.05466	1.4
129.07016	10.5
130.07729	1.6
131.08549	27.6
133.06480	1.8
133.10110	30.8
135.08054	6.2
135.11688	14.2
137.09583	3.4
139.65912	0.8
141.06947	4.0
142.07677	0.9
143.08563	8.2
145.06470	1.6
145.10103	19.1
147.08038	3.5
147.11649	14.0
149.09604	14.8
149.13242	13.1
150.77251	0.9
151.11195	1.6
155.08536	4.3
156.09093	1.0
157.10110	6.5
159.08012	1.2
159.11674	18.5
161.09608	1.7
161.13191	3.6
163.11139	12.2
165.12701	1.8
167.08418	1.3
169.10109	4.6
171.11644	6.3
173.04405	1.4
173.09517	0.9
173.13194	6.1
175.11124	1.6
177.12735	4.0
179.14311	3.1
182.09329	0.7
182.10870	0.9
183.11681	3.2
185.13226	3.0
187.11078	1.2
187.14801	1.0
189.11134	1.2
195.11784	1.1
195.13789	5.6
197.13300	1.7
211.14867	1.2
213.14682	0.9
227.12758	5.5
228.13069	1.1
229.14345	1.0
229.19385	1.7
239.17888	1.8
247.20551	3.2
255.15823	7.4
257.18869	5.9
267.15887	1.3
269.17395	25.2
275.20032	23.0
291.19403	1.3
293.21130	4.3
331.22537	1.0
349.23669	23.6
367.24835	5.9
414.10236	0.8
433.30762	1.0
435.27341	1.6
439.26859	0.9
445.29462	1.8
449.28839	14.8
463.30392	25.7
525.35547	1.6
529.34998	3.9
543.36713	27.5
547.36469	1.5
561.37512	4.8
593.32257	1.1
607.34857	1.0
623.42822	5.3
640.42816	1.1
641.43396	5.5
659.45154	1.5
687.40814	1.2
857.45898	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	854.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	10.8
67.05495	100.0
69.07055	37.1
71.04951	8.4
72.04180	5.9
73.02885	5.2
79.05486	65.8
81.03432	9.6
81.07043	85.5
83.04972	9.7
83.08609	13.0
86.09699	7.5
90.59297	5.8
91.05474	87.9
92.09330	17.9
93.07027	83.9
95.07706	6.8
95.08545	42.9
97.02907	7.8
97.06526	12.5
97.19919	6.2
98.87699	5.6
99.66063	5.5
105.07024	71.5
107.04961	11.9
107.08595	40.4
109.10162	24.6
117.07019	29.6
119.08558	48.9
121.06419	8.0
121.10115	22.8
129.06992	23.9
131.08566	35.2
133.10124	24.4
135.11649	11.6
142.97856	6.7
143.08601	10.7
145.10141	25.8
147.11684	14.0
149.09523	6.2
155.08530	12.1
157.10152	27.0
159.11725	9.2
163.11156	8.5
171.11646	8.8
173.13301	6.3
183.11665	9.2
183.20503	6.4
184.07274	13.2
259.20535	10.3
275.19916	6.7
291.19534	6.7
313.27264	38.5
333.24081	6.9
335.25748	7.8
348.63327	7.5
435.32159	6.7
513.35571	21.0
527.37152	26.5
607.43298	10.8
625.44238	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.5
61.50695	1.2
65.03933	2.6
66.16399	1.3
67.05494	100.0
67.05849	3.7
68.05816	5.9
69.03413	8.3
69.07056	36.2
71.01294	1.4
71.04971	7.7
71.08603	2.3
73.02881	2.6
79.05475	78.2
80.05792	1.6
81.03396	22.6
81.07037	97.4
82.07387	2.7
83.04965	18.8
83.08603	14.5
85.02883	8.6
85.06536	3.2
86.09698	1.9
87.04447	2.7
91.05458	82.8
92.05789	2.9
92.09329	3.1
93.04953	1.4
93.07024	83.5
95.04949	23.2
95.08582	41.2
97.02869	6.1
97.06513	15.6
97.10144	8.2
99.08034	5.6
103.05432	2.7
105.04514	1.4
105.07014	78.5
105.49032	1.5
107.04939	10.7
107.08581	48.0
108.08935	2.2
109.02826	2.3
109.06486	12.2
109.10144	30.2
111.04359	1.8
111.08079	6.2
115.05441	2.3
117.07009	25.4
119.08553	41.7
120.52168	1.3
121.06480	8.0
121.10127	21.6
123.08031	5.3
123.11677	6.6
125.09633	5.4
128.06210	3.6
129.05508	1.7
129.06985	13.2
131.08543	33.6
131.13626	1.5
133.06480	1.9
133.10110	46.9
134.10513	2.2
135.08003	7.2
135.11702	12.3
137.09601	2.2
141.06985	2.5
142.07713	1.6
143.08569	13.6
145.10089	23.9
147.11678	18.5
149.09610	5.7
149.13283	8.8
151.11139	5.4
155.08543	3.2
157.10167	11.5
157.11264	1.5
159.11638	10.9
161.09593	2.4
161.13237	6.8
163.11174	6.7
167.08482	2.0
169.10068	2.7
171.11676	8.4
173.09595	1.5
173.13243	9.0
175.14713	1.6
177.12675	3.3
183.11671	3.4
184.07329	3.6
185.13246	3.1
187.11127	2.1
195.11726	1.8
195.13684	2.4
227.12692	1.6
229.19608	2.0
233.15247	2.1
241.19646	1.7
253.14297	8.6
254.14748	1.8
255.15703	2.3
259.20517	9.8
259.22974	1.8
267.08423	1.6
269.17316	14.7
273.18488	3.6
275.20004	14.4
289.18121	2.3
291.19479	3.3
293.21078	10.9
333.24127	7.9
335.25708	8.7
349.23566	9.4
351.96826	1.5
411.15033	1.7
449.28928	2.5
499.15454	1.6
513.35651	3.7
527.37091	8.7
543.36499	5.9
559.35376	2.0
560.36499	2.3
561.37390	7.3
607.42908	2.2
641.43042	1.8
659.44202	2.1
856.43915	10.2
857.44830	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.1
61.71244	0.7
65.03922	5.6
67.05492	100.0
68.73122	0.8
69.03410	11.6
69.07058	41.5
70.07381	1.6
71.04990	7.6
71.08614	1.0
73.02891	2.2
79.05478	81.2
81.03409	12.4
81.07040	89.2
83.04968	17.5
83.08604	18.7
85.02896	6.9
85.06515	4.5
86.09676	2.5
89.05996	0.9
91.05463	90.3
93.07027	80.7
94.07339	1.0
95.04499	0.9
95.04959	15.3
95.08585	50.3
97.02860	7.1
97.06522	12.1
97.10133	8.3
99.04424	1.1
99.08081	4.3
103.05476	2.5
105.04514	1.3
105.07016	81.0
106.05162	0.9
106.07333	2.2
107.04948	10.2
107.07862	2.0
107.08573	49.6
108.08926	0.9
109.06509	10.3
109.10151	24.2
111.08044	5.4
115.05441	4.9
117.06998	33.4
118.07697	1.2
119.07697	2.2
119.08562	51.7
121.06487	5.1
121.10119	22.0
123.08054	6.3
123.11675	4.5
125.09602	5.7
127.03932	2.0
127.07531	0.9
128.06230	5.2
129.05435	1.6
129.06990	19.7
130.07765	1.9
131.08551	41.3
132.09000	1.1
133.06494	4.2
133.10106	43.4
135.08044	7.0
135.11682	16.7
137.09593	1.7
141.06940	5.6
142.07764	5.0
143.08540	19.6
144.09276	1.6
145.06480	2.0
145.10107	30.2
147.08064	2.2
147.11674	23.2
149.09604	14.8
149.13249	8.1
151.11162	3.9
154.07706	1.2
155.08549	8.5
156.09221	3.1
157.10101	15.3
159.08084	1.7
159.11681	20.8
161.09558	1.3
161.13210	10.6
163.11147	7.7
165.12735	1.1
167.08482	3.4
169.10097	12.0
171.11629	15.2
173.04469	1.2
173.11838	1.9
173.13223	9.9
175.11179	2.1
175.14786	1.7
177.12697	4.0
179.14240	1.8
181.10112	7.3
182.10806	1.6
183.11667	10.0
184.07243	4.2
185.13252	9.6
187.11240	1.7
187.14857	2.0
189.11137	2.0
191.14273	1.3
195.11687	5.0
195.13739	3.6
197.13231	7.8
199.14735	5.6
207.11674	1.8
209.13179	5.0
211.14833	3.9
213.12897	1.3
213.16458	1.8
219.13603	1.2
221.13324	2.1
223.14832	3.9
227.12674	1.9
227.18069	1.4
229.14146	1.4
229.19542	1.5
239.17975	3.9
241.19420	1.9
247.20372	1.7
253.14404	1.9
254.14693	1.5
255.15874	2.4
257.18872	6.1
259.20566	12.1
269.17319	7.9
273.18524	1.6
275.20020	19.0
291.19565	1.8
293.21155	2.2
333.24310	9.8
339.42133	1.2
349.23773	13.2
435.32388	1.4
449.28979	1.2
463.30621	1.9
503.33200	1.3
513.35675	12.0
515.37732	1.2
527.37097	13.0
540.25317	1.1
543.36517	6.6
561.37238	1.6
565.52881	1.3
607.43640	10.2
625.44330	10.5
641.44464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	7.1
62.04251	1.5
65.03908	2.5
67.05496	100.0
69.03425	7.0
69.07054	40.8
71.04977	14.7
71.08650	2.3
73.02909	3.4
73.06535	2.8
77.03941	2.1
79.05476	78.6
79.81916	1.9
81.03413	11.6
81.07042	95.5
83.04969	9.5
83.08605	19.1
85.02903	9.1
85.06528	2.6
85.10172	3.1
91.05461	84.8
93.02703	1.8
93.07029	83.9
95.04926	13.6
95.08588	50.5
96.62388	1.7
97.02876	4.2
97.06521	16.6
97.07053	1.6
97.10156	3.3
99.04455	2.6
99.08039	6.6
103.05465	3.2
105.07016	88.3
107.04945	7.2
107.08582	42.2
109.06510	7.3
109.10155	24.0
111.08096	3.1
113.09676	2.4
114.70085	1.7
115.05466	2.7
117.07014	33.1
119.08559	53.2
121.06519	8.2
121.10131	27.7
123.08045	4.0
123.11685	3.6
125.09631	6.3
128.06200	3.4
129.06973	22.7
130.07687	3.0
131.08546	44.8
133.10110	42.6
135.08064	2.1
135.11665	16.4
137.09612	2.7
141.06970	10.7
142.07779	2.4
143.08556	28.4
145.06622	2.7
145.10117	34.1
147.11687	29.2
149.09625	11.1
149.13284	4.6
151.11166	2.4
155.08521	13.1
157.10136	24.9
159.11678	26.7
161.13258	11.6
163.11209	4.3
167.08563	7.7
169.10118	14.1
171.11638	14.6
173.04402	2.6
173.13281	9.7
175.14812	3.1
181.10139	8.5
183.11678	14.9
184.07286	3.2
185.13257	12.5
187.14809	2.6
189.12834	2.1
193.10199	2.5
195.11682	7.7
195.13611	2.0
197.13281	7.8
199.14853	7.8
207.11580	3.1
209.13264	3.5
211.14740	4.3
221.13249	2.1
223.14880	2.3
237.16391	2.5
241.19426	2.2
257.19116	3.0
259.16629	2.0
259.20389	14.0
275.20016	10.7
313.27353	23.3
315.23203	2.7
319.03574	1.7
333.24274	14.4
349.23724	10.7
437.49677	2.6
477.39285	3.5
513.35706	19.7
527.37305	30.1
554.33624	2.1
558.75659	1.9
602.73212	2.4
607.43616	28.4
625.44580	18.5
635.39032	2.3
639.45612	3.5
654.62372	2.0
689.42029	2.3
746.66113	2.1
771.99658	2.3
776.67023	2.2
854.50269	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.5
67.05498	81.7
69.03416	16.8
69.07061	59.7
71.08636	2.7
79.05098	2.8
79.05479	91.2
79.05905	5.7
81.03397	22.6
81.06590	5.5
81.07039	100.0
83.04963	18.7
83.08618	23.1
85.02876	3.9
85.06525	3.2
91.04886	4.1
91.05463	87.8
93.07027	66.7
95.04969	29.5
95.08591	43.5
97.02875	12.2
97.06498	18.7
97.10159	22.0
99.08092	3.7
105.07026	63.3
107.04944	22.4
107.08593	46.8
109.02851	6.2
109.06493	15.6
109.10152	22.2
117.07019	28.9
119.04993	3.2
119.08565	59.1
121.06503	11.6
121.10135	17.0
123.04397	2.6
123.07991	4.4
123.11694	4.1
125.09653	7.0
128.06230	5.5
129.06976	11.7
131.08549	34.8
133.10135	43.3
135.08028	17.0
135.11678	15.5
137.09647	3.2
143.08537	15.1
145.10106	22.5
147.08029	11.1
147.11679	20.0
149.09570	12.6
149.13235	11.7
151.11177	5.1
155.08586	4.3
157.10089	12.8
159.08136	4.8
159.11684	15.8
161.09605	7.0
161.13208	5.3
163.11147	6.0
169.10112	4.9
171.11671	11.2
173.09581	4.2
173.13203	6.1
175.11162	5.0
177.12659	2.9
184.07285	4.1
185.13313	4.3
189.11285	4.3
209.13254	3.5
213.49565	3.1
223.13223	6.1
227.12741	5.9
240.82536	3.2
259.20547	11.4
269.17496	11.7
273.18555	19.2
275.20044	14.9
289.18076	3.1
291.19452	87.9
333.24091	6.7
339.94934	3.4
347.22021	3.8
349.23886	20.8
365.23151	39.7
381.22693	5.8
455.49945	3.2
507.71185	3.3
541.35266	5.1
545.34619	12.4
559.36346	29.0
621.40692	4.8
622.38257	3.5
629.36261	3.3
639.42590	34.6
657.43103	15.4
694.37335	3.4
851.80841	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	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.8
65.03925	3.2
67.05492	95.4
69.03415	16.4
69.07052	56.7
69.07340	1.1
70.10497	1.3
71.04967	8.4
73.02888	1.6
79.05473	81.5
81.03395	17.5
81.07037	100.0
83.04967	19.6
83.08598	20.8
85.02891	3.2
85.06532	5.4
85.47851	1.4
86.09685	3.0
91.04886	2.8
91.05460	79.1
93.07024	76.0
95.01277	2.0
95.04941	23.4
95.08583	42.4
97.02860	15.5
97.06487	15.1
97.10146	17.9
99.08085	1.6
105.04479	2.0
105.07010	64.6
107.04934	21.1
107.08577	50.0
109.02840	2.3
109.06490	11.8
109.10136	29.5
109.71175	1.6
111.08057	2.8
115.05433	3.2
117.06996	23.7
119.04982	1.7
119.08566	39.3
121.06487	11.9
121.10110	17.0
123.08040	6.9
123.11684	6.4
125.00041	3.3
125.09618	9.1
127.07507	1.7
128.06253	2.7
129.06981	11.8
130.07811	1.5
131.08534	33.3
133.06444	7.9
133.10098	47.6
133.11020	2.3
135.08017	11.8
135.11674	14.4
137.09627	5.9
141.06923	2.6
142.07794	1.8
143.08549	10.4
145.06497	2.7
145.10127	17.7
147.07993	9.6
147.11687	11.3
149.09572	15.5
149.13237	7.8
151.11186	12.0
155.08553	2.7
156.09375	1.8
157.10109	6.9
159.07982	1.5
159.11682	13.5
161.09615	6.6
161.13226	2.8
163.11169	7.5
165.09117	1.5
169.10181	2.6
171.11655	6.7
173.13226	2.6
175.11153	5.4
175.14920	1.5
177.12721	3.4
179.14355	2.1
183.11629	2.7
184.07329	7.3
197.13383	1.5
205.12181	2.1
223.13231	22.9
227.12753	6.2
249.14867	7.0
253.14265	19.0
255.15764	5.4
257.18927	3.4
269.17429	17.7
273.18472	19.0
275.19974	18.7
291.19492	97.6
292.19788	1.9
293.21542	1.9
347.22067	5.1
349.23819	13.1
365.23126	36.4
367.24536	1.5
465.28214	2.2
527.33618	2.0
541.34772	7.9
545.34619	19.1
554.59772	1.7
557.34192	1.6
559.36182	68.1
621.40790	2.9
639.42529	18.0
650.49097	1.6
657.43420	7.0
854.44360	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05943	0.8
61.02908	1.1
62.66031	0.7
65.03918	2.0
67.05493	70.1
69.03072	1.0
69.03420	18.6
69.07058	54.0
71.04967	4.4
73.02870	1.3
79.05477	65.5
81.03400	15.4
81.07040	78.5
83.04974	15.2
83.08609	19.4
84.18932	0.8
85.02879	5.1
85.06511	1.2
86.09689	1.4
91.05464	54.8
92.48081	0.9
93.02470	0.8
93.07024	55.9
95.01297	1.4
95.04955	20.3
95.08002	1.7
95.08585	32.8
97.02883	12.5
97.06522	14.6
97.10146	22.0
99.08042	2.1
103.05439	1.6
105.04459	1.0
105.07017	41.6
107.04943	16.8
107.08579	42.4
109.02850	0.9
109.06512	10.0
109.10150	18.8
111.04402	1.8
111.07417	0.8
111.08032	7.5
115.05428	2.2
116.06189	1.8
117.07005	20.6
119.04919	1.2
119.08562	27.2
120.05649	1.1
121.06506	6.8
121.10134	13.2
122.56519	0.9
123.08038	6.7
123.11681	3.7
125.09618	12.8
127.03885	1.0
128.06230	1.4
129.05478	0.9
129.06999	7.9
130.07797	1.0
131.08553	23.2
133.06448	6.1
133.10107	22.1
134.07304	1.7
135.08061	9.9
135.11656	12.0
137.09610	1.9
141.06996	1.6
142.07726	1.1
143.08543	5.8
145.06509	3.4
145.10121	16.0
147.08047	10.1
147.11661	8.8
149.09636	10.3
149.13232	6.1
151.11162	4.7
153.09204	0.9
155.08508	0.9
157.10086	5.9
159.07973	1.6
159.11641	10.6
161.09602	4.0
161.13214	4.0
163.11142	7.6
165.09096	0.9
169.10034	1.4
171.10281	1.2
171.11647	6.3
171.12984	0.8
173.13211	1.8
175.11124	4.1
177.12711	3.7
183.11659	1.1
184.07358	3.7
187.11232	1.1
187.13309	0.9
189.11176	5.4
189.12732	1.1
195.13742	1.7
199.14705	1.2
205.12155	1.5
218.88583	0.9
223.13234	22.3
227.12726	9.0
239.17859	1.7
239.48997	0.9
245.19061	1.9
249.14725	5.6
253.14212	4.8
255.15723	2.0
257.18924	4.9
267.15878	1.4
269.17422	13.1
273.18512	13.4
275.20065	14.9
291.19498	100.0
347.22012	1.4
349.23724	17.5
358.75333	1.1
365.23193	36.3
457.05185	0.9
465.28412	1.0
541.35406	2.2
545.34528	15.5
559.36218	47.2
609.65411	1.0
621.41541	1.8
639.42511	27.6
657.42865	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	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	13.2
65.03918	1.0
67.05494	32.6
69.03418	7.4
69.06773	0.5
69.07057	8.8
71.03291	0.5
71.04973	7.6
73.02892	4.8
73.06510	0.7
79.05473	36.3
81.03400	100.0
81.07038	40.4
81.07766	0.7
82.92613	0.5
83.04964	26.0
83.08605	35.1
85.02888	53.1
85.06509	3.7
87.04478	0.7
91.03933	6.8
91.05463	45.7
91.57458	0.6
93.07021	23.2
95.04947	41.8
95.08588	16.5
97.02865	11.9
97.06514	5.4
97.10143	6.6
99.04403	1.1
99.08069	1.5
99.35307	0.6
104.22615	0.7
105.07007	35.2
107.04929	10.5
107.08578	11.3
109.02895	0.7
109.06498	8.5
109.10149	4.5
111.04433	4.3
111.08065	14.3
113.05960	4.2
115.05434	2.9
117.07010	2.4
119.08559	31.2
121.06498	3.2
121.10127	15.1
123.08068	5.3
123.11659	2.6
125.05958	0.8
125.09580	1.4
127.03861	2.4
129.06981	18.1
131.08543	19.8
133.06471	4.5
133.09171	1.0
133.10101	18.7
133.13356	0.6
135.08063	1.1
137.02292	3.3
137.05968	0.8
137.09598	2.7
142.07771	4.8
143.08688	0.6
145.04933	2.1
145.06505	0.8
145.10115	4.0
147.08012	6.0
147.11667	26.2
149.09590	10.1
151.11160	0.7
157.10115	23.9
162.89372	0.6
163.05933	0.6
163.11153	1.1
165.12700	4.8
175.11145	28.0
189.11218	0.7
193.12215	64.1
211.13263	66.3
213.57518	0.7
224.65175	0.7
233.15349	0.8
238.53728	0.6
249.14626	1.0
267.15863	37.1
285.16907	62.5
286.17355	1.0
367.22403	1.4
385.23669	3.0
388.74191	0.6
433.25488	1.5
441.26266	2.5
459.27332	35.7
477.28369	35.7
495.29440	88.0
496.29544	0.9
621.32733	0.8
627.75891	0.8
639.33044	1.2
847.59888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06056	1.1
61.02917	5.9
62.29100	1.1
67.05489	8.8
69.07046	1.5
71.08617	2.0
73.02911	2.7
79.05484	2.8
81.07053	6.3
83.08656	1.7
85.02895	2.5
91.03928	1.6
91.05482	7.4
93.07037	2.6
95.08575	1.5
97.02877	5.6
105.07051	2.9
107.08620	2.9
117.07042	2.9
119.08588	2.1
121.10184	1.8
131.08577	1.9
133.10159	2.1
145.10178	1.6
168.52957	1.5
318.01181	1.3
341.21039	2.2
425.49289	1.5
516.50958	1.3
535.28833	1.6
557.28174	1.4
559.28650	5.5
727.10760	1.4
827.00812	1.3
853.50500	100.0
854.50378	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	853.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.9
63.22430	0.8
66.59859	0.9
67.05502	6.3
69.03424	1.3
69.07056	2.3
73.02908	2.5
79.05479	8.2
81.03396	1.8
81.07057	6.8
81.68701	1.2
85.02910	4.0
91.03947	1.3
91.05479	4.6
93.07034	6.7
95.04964	1.5
95.08602	6.3
97.02893	5.7
105.07041	3.9
107.08579	1.8
113.86107	1.0
121.71103	1.1
131.08569	1.3
131.47598	1.2
145.10056	1.4
209.69516	1.1
243.08430	1.7
243.65027	1.0
276.30728	1.0
357.20343	2.3
463.19571	1.3
519.29419	4.2
523.03320	1.3
575.28632	2.2
716.16882	1.2
848.60095	1.3
852.49213	1.7
853.50519	100.0
854.50800	4.5
866.75616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96576	4.1
67.05495	59.9
69.03401	6.3
69.07064	59.3
71.04963	11.3
76.56097	5.5
79.05479	77.3
81.03407	10.8
81.07046	82.7
81.16715	5.0
83.04958	7.3
83.08595	11.3
88.50446	5.1
91.05457	78.5
93.07034	66.5
95.04939	20.7
95.08589	61.7
97.06514	33.0
105.07011	100.0
107.04955	33.8
107.08555	35.7
109.10152	11.7
117.06970	37.9
119.08559	41.0
121.10161	8.2
129.07030	6.9
131.08539	32.7
133.10130	50.6
135.11673	9.9
143.08530	6.9
145.10129	11.2
147.11670	19.9
149.09572	10.3
159.11639	11.5
163.11130	9.8
176.73997	5.2
179.14352	8.5
192.70824	5.4
225.36389	5.3
242.66852	5.6
257.18924	8.0
275.20044	57.9
297.17435	6.0
349.23682	34.9
374.16284	5.4
543.36755	56.7
623.43115	48.0
687.40222	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	852.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11127	4.3
67.05486	39.9
68.42060	4.6
68.51683	4.1
68.82430	4.1
69.07057	7.8
71.08608	9.0
81.07042	35.5
83.08594	5.9
91.05455	4.5
93.06993	6.1
95.08577	35.1
107.08582	5.0
109.10170	9.3
199.25661	5.0
407.05130	5.0
575.50116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.8
64.33459	0.5
65.03934	0.5
67.05495	22.2
69.03427	2.8
69.07060	11.2
71.01340	2.7
71.04978	2.7
71.08617	16.9
73.02895	2.5
74.98290	0.5
78.35939	0.5
79.05476	19.3
81.03397	2.6
81.07043	18.2
83.04543	0.7
83.04951	4.8
83.08612	8.3
85.02889	9.0
85.06532	1.1
85.10171	9.7
91.03934	4.7
91.05466	9.0
92.05825	0.5
93.07028	25.1
95.04947	1.1
95.08586	15.4
97.02870	4.4
97.06509	5.4
97.10151	8.5
99.08087	1.0
105.07034	2.3
107.08580	15.1
109.10165	9.3
111.08052	0.9
111.11710	0.5
114.17039	0.5
117.07013	2.1
119.08547	3.8
121.10115	3.7
123.11692	2.2
125.09669	0.6
127.03927	0.6
130.94250	0.5
133.10072	3.6
135.11679	26.2
137.09598	1.0
137.13226	1.0
145.05020	0.6
145.10139	5.7
153.12688	0.8
163.11217	3.6
181.12230	3.7
215.20000	0.6
239.23747	1.2
255.15860	30.2
257.24677	1.0
269.14197	0.6
269.17056	0.7
277.52695	0.5
293.16290	0.6
313.27322	34.7
367.92682	0.5
493.38803	100.0
494.38940	2.6
529.13794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	73.3
68.57394	3.4
69.03420	9.4
69.07059	37.6
71.04996	3.9
71.34287	3.3
79.05479	67.7
81.03416	8.4
81.07043	97.1
82.73888	3.9
83.04987	7.8
83.08627	8.8
86.09703	19.4
91.05457	81.2
92.08701	7.4
92.46406	3.6
93.07016	61.4
95.04955	21.9
95.08594	25.9
97.02853	4.8
97.06541	6.8
97.10152	21.5
98.37707	3.3
101.05981	3.6
105.07005	68.8
107.04936	18.7
107.08594	43.9
107.96751	3.7
109.06517	9.0
109.10106	33.1
111.08025	4.7
117.07015	17.0
119.08556	41.7
121.06425	8.7
121.10158	7.6
123.08066	6.1
125.00043	4.6
125.09632	6.7
129.06970	8.0
131.08562	25.5
133.06491	6.5
133.10115	45.0
135.08040	7.7
135.11659	6.1
143.08603	7.0
145.10117	20.6
147.07993	4.9
147.11693	7.3
149.09592	19.0
151.11169	9.8
157.10153	7.8
159.11723	4.4
161.09564	6.0
161.13280	5.4
166.76357	3.8
171.02693	4.3
173.09598	3.7
184.07344	32.9
204.39275	4.7
209.36456	4.2
223.13286	9.8
227.12682	4.2
241.25523	4.4
249.14742	5.4
253.14326	31.3
273.18396	39.8
291.19507	100.0
347.22095	7.2
365.23166	37.9
457.18881	4.9
547.40649	4.5
561.33948	9.7
637.39978	9.6
655.41974	37.9
745.11511	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	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	33.8
68.17473	0.9
69.03418	10.5
69.06709	2.1
69.07059	33.5
69.64156	0.9
71.04980	1.7
79.05482	28.4
81.03402	6.6
81.07046	33.1
83.04971	8.7
83.08596	12.2
85.02844	1.1
85.06505	1.1
86.09718	2.8
91.05471	29.0
93.07027	23.1
95.04958	11.5
95.08593	18.3
97.02888	12.1
97.06510	6.1
97.10156	13.0
105.07026	23.8
107.04933	16.9
107.08595	16.8
109.06487	4.5
109.10140	8.9
111.04459	1.2
111.08079	1.8
115.05412	1.7
117.07014	12.0
119.04897	1.4
119.08577	16.5
121.06475	5.0
121.10107	5.6
123.08035	5.4
125.09657	8.3
129.06970	2.6
131.08554	12.7
133.06482	6.2
133.10118	7.6
134.07230	1.6
135.08049	6.8
135.11656	2.2
137.09644	1.8
143.08527	7.7
145.06482	1.6
145.10129	10.5
147.08037	9.9
147.11665	2.7
149.09581	2.5
149.13245	2.7
150.90863	1.3
157.10152	2.4
159.11659	6.0
161.09576	2.4
163.11148	1.9
165.09079	1.4
169.10081	1.4
173.13243	1.5
175.11122	5.5
177.12776	1.9
182.83394	1.1
184.07309	5.6
189.11188	1.9
205.12202	1.6
223.13258	20.9
227.12798	5.2
245.19040	1.7
249.14835	5.5
273.18405	11.9
279.38062	1.5
281.78229	1.2
289.17850	2.3
291.19507	100.0
347.22098	4.5
363.21585	2.3
365.23187	48.4
425.12415	1.2
490.50473	1.5
552.95184	1.4
557.34332	6.3
621.41461	1.9
637.40326	4.2
655.31183	1.8
655.41974	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33692	1.5
67.05495	32.2
69.03411	14.4
69.07057	46.9
71.04944	2.2
79.05473	42.6
81.03393	7.8
81.07034	31.8
83.04957	4.2
83.08606	12.0
86.09699	16.0
91.05453	27.1
93.07021	22.2
95.04956	13.0
95.08572	12.2
97.02889	13.0
97.06514	2.9
97.10165	14.9
103.05453	1.8
105.07005	25.1
107.04935	10.8
107.08588	14.7
109.06496	3.2
109.10131	10.7
117.07000	10.5
119.04964	1.9
119.08572	17.5
121.06462	3.6
121.10141	4.3
123.08016	3.3
124.99961	6.7
125.09561	12.4
131.08583	15.4
133.06465	7.0
133.10129	7.4
135.08022	4.0
135.11646	2.6
137.09601	3.5
142.07825	2.7
145.10094	7.3
146.12405	1.7
147.07990	6.7
147.11659	3.6
149.09621	3.4
159.08012	2.2
161.09462	2.4
162.10440	1.7
171.11749	1.7
184.07295	28.3
189.11198	3.0
195.91628	1.8
223.13246	21.9
227.12794	3.3
249.14742	3.4
255.18037	1.6
273.18454	12.9
291.19504	100.0
292.19955	2.1
365.23148	43.9
550.82684	1.9
557.34686	2.4
637.40027	2.7
655.42096	52.6
822.59198	2.0
844.49243	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	852.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	9.0
67.05500	16.7
69.03418	6.1
69.07066	7.5
71.04971	5.0
73.02896	3.2
73.55289	0.9
79.05480	28.0
81.03406	47.5
81.07044	26.8
81.07526	0.8
83.01323	3.9
83.04966	16.4
83.08608	19.4
85.02895	28.3
85.06488	1.1
91.03932	5.1
91.05464	26.3
93.06477	1.6
93.07027	24.5
95.04953	21.5
95.08590	9.0
97.02872	9.8
97.06512	5.5
97.10150	4.2
99.04442	3.1
102.22363	0.7
105.07018	17.5
107.04943	10.2
107.08598	11.1
109.02876	0.9
109.06535	7.5
109.10129	1.8
111.04436	4.5
111.08073	6.8
113.06013	3.2
115.05457	1.5
117.07008	4.1
119.08566	16.5
121.06487	3.5
121.10124	12.8
123.04392	1.2
123.08067	7.3
125.09603	0.9
127.03915	3.2
129.06996	8.0
131.04861	0.9
131.08563	12.2
133.06461	1.4
133.10114	8.3
135.08055	1.0
135.11664	9.2
137.02335	4.9
137.09575	1.2
145.04913	0.8
145.06509	0.8
145.10135	14.6
147.08034	4.1
147.11684	9.9
149.09613	5.3
153.12753	0.9
155.08546	1.3
155.20648	0.9
157.10075	8.3
163.11168	17.2
165.12729	1.5
173.09599	4.0
175.11154	10.4
181.12231	1.2
191.10612	3.1
193.12224	24.4
198.88087	1.0
209.11745	4.1
211.13272	24.2
227.12793	1.8
265.14377	1.8
267.15808	8.8
283.15369	30.3
285.16919	19.4
383.22043	1.3
457.25681	4.7
475.26935	19.5
493.27917	100.0
494.27719	1.1
528.61859	1.0
637.31024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	10.6
67.05515	7.7
69.03412	3.5
69.07073	2.4
73.02899	3.7
74.24890	1.6
79.05472	8.2
79.47856	1.7
81.07040	3.4
83.04980	2.4
83.54710	1.6
85.02879	4.2
85.06547	1.9
91.03986	3.1
91.05460	10.2
93.07034	9.2
95.04975	2.0
95.08592	3.3
97.02872	10.9
99.67239	1.8
104.83856	1.9
105.06969	6.6
107.98024	1.9
111.75407	2.1
129.06967	2.8
131.73601	1.9
137.30547	1.9
147.11746	2.2
171.11748	3.2
186.48944	1.7
193.20566	1.9
216.12000	2.2
233.48274	1.7
250.47734	1.8
253.31723	2.0
347.09396	2.5
401.99426	2.3
405.13553	4.0
406.06464	2.0
465.20697	16.4
627.26257	18.3
689.34705	3.2
851.40173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.4
67.05497	6.7
69.03416	2.4
69.07052	2.1
73.02926	2.5
76.85691	1.1
79.05492	8.0
79.66824	1.4
81.07050	8.1
85.02905	5.5
86.09704	2.1
91.03948	2.3
91.05470	7.8
93.07043	7.9
95.08591	2.1
97.02895	5.3
98.00681	1.1
105.07036	5.3
117.07032	1.8
119.08560	2.2
131.08583	2.5
133.10121	2.7
231.49202	1.4
243.08418	2.3
315.19366	6.9
342.61417	1.5
408.35565	1.4
442.86798	1.4
533.27289	7.2
559.28986	6.6
601.80237	1.5
851.49005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95904	0.2
64.46915	0.2
69.03401	1.0
69.07063	1.7
75.63005	0.2
79.05475	0.3
81.03387	0.9
85.02883	0.3
91.05460	0.4
92.64481	0.2
94.06542	0.4
95.04949	0.3
97.06512	0.5
104.56668	0.2
107.07284	0.3
108.04485	0.3
108.08086	0.3
109.02860	0.3
112.07607	0.4
118.06448	0.2
120.08083	6.9
122.05997	0.2
122.09619	0.5
127.03878	0.3
132.08054	0.2
134.28664	0.2
140.07021	4.1
146.43944	0.2
147.06766	0.3
148.07553	3.7
160.07639	0.3
163.03912	0.3
164.07021	0.3
168.06544	3.6
174.05519	0.8
174.07837	0.8
188.06973	0.3
193.77791	0.2
198.09116	1.6
198.12849	0.5
199.08614	3.8
199.12325	0.4
200.09315	0.4
200.10934	0.2
201.10225	0.5
203.09477	0.3
210.09175	0.4
211.08551	0.4
213.10181	2.0
214.10944	1.0
215.11804	2.3
215.15402	0.4
224.10742	0.4
225.10196	4.4
226.08563	1.2
226.12250	1.1
227.08238	1.5
227.11707	4.9
228.12537	1.3
229.09596	0.5
229.13335	1.2
239.11771	0.5
241.09673	1.3
241.13371	1.9
242.04837	0.2
242.10397	1.6
243.11311	2.1
243.14861	6.1
244.15672	0.8
245.16451	2.3
251.11697	0.4
252.10104	1.2
253.13397	0.4
254.10399	0.4
255.11237	18.5
257.12881	1.0
269.12830	7.2
270.11179	0.3
271.14288	0.4
273.11969	0.2
280.09708	0.3
281.09146	0.5
281.12885	0.5
283.10632	0.3
287.13824	4.8
289.15424	0.4
297.12280	8.7
298.13000	0.4
299.13831	6.0
315.13336	100.0
316.14020	8.3
317.14999	1.5
541.27783	1.0
545.86273	0.3
559.29047	29.8
560.29248	0.3
585.26874	0.5
603.27472	1.0
702.48938	0.2
819.17297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.7
67.05495	2.0
68.99769	14.3
78.18044	1.1
81.03407	5.8
81.27326	1.4
83.04983	1.5
85.02906	1.6
85.19975	1.2
91.05475	7.8
91.40335	1.4
92.09285	2.8
95.04952	10.1
97.02895	1.4
99.04395	1.9
107.04947	100.0
108.05288	1.8
109.02870	1.6
111.00807	13.0
111.04443	8.5
119.04932	68.7
120.06590	1.7
121.02875	9.7
123.03517	3.0
123.04419	94.0
127.03904	94.3
128.04268	2.0
131.04929	3.1
133.06499	12.2
135.04407	63.2
137.02322	14.3
138.02731	1.7
139.02797	3.1
139.03886	87.4
141.07008	2.6
145.06483	16.9
147.04396	50.2
149.02345	21.1
149.05965	2.8
151.03871	26.4
157.06494	9.7
159.04417	5.4
161.05968	13.4
163.03886	65.0
165.05470	8.7
167.03371	16.5
169.05028	2.3
169.06525	3.4
171.04375	13.6
173.02312	1.6
173.05980	7.6
175.03955	6.6
177.05482	11.1
179.03374	14.3
181.06468	5.3
185.05974	9.0
187.03806	10.8
187.07468	2.4
189.05443	13.5
191.03352	22.9
193.04941	5.4
197.05971	7.0
199.07538	5.6
201.05492	11.1
203.03389	24.2
203.07010	5.8
205.05011	3.0
207.06552	5.8
213.05469	11.1
215.03413	3.2
215.07042	7.9
217.04927	3.2
223.02374	1.7
225.05394	1.6
227.03311	1.7
227.07004	6.0
229.04948	16.7
231.03024	1.8
231.06500	51.9
232.06857	1.4
233.04393	9.1
237.05396	1.9
241.04904	6.3
242.05779	2.4
243.06483	10.4
245.04434	72.9
245.06895	2.8
246.04842	1.8
247.05983	27.2
251.05687	2.2
253.04999	2.4
255.06497	17.1
257.04419	26.6
258.05020	6.2
259.06009	13.3
265.04761	1.6
269.04428	8.0
271.05966	23.6
273.07529	19.2
274.04745	3.0
275.05453	26.1
281.04446	2.2
283.06000	18.7
287.05478	73.6
288.05850	24.8
289.07010	23.1
291.08603	26.2
295.05872	5.8
297.03906	2.0
299.05453	8.7
301.06934	12.5
307.05835	2.1
309.03946	2.4
311.05362	2.1
323.05585	3.1
351.04880	3.2
361.07187	2.4
365.06329	2.2
375.08807	1.8
379.08118	6.6
381.09622	8.5
383.08041	2.3
389.06577	2.3
393.09702	9.2
395.07413	1.9
403.08295	2.2
405.05865	2.8
407.07458	18.4
409.09149	25.2
411.10785	5.0
421.08914	2.7
425.08725	9.1
427.10236	21.2
435.10968	3.1
437.08575	7.3
439.09976	2.2
449.08334	2.1
451.10068	2.2
453.12314	2.3
527.09991	1.6
534.11322	1.9
545.10168	3.0
561.13855	2.2
579.14899	12.2
636.63599	1.7
681.15881	2.2
699.16217	2.1
768.27942	1.8
804.81714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	15.8
62.51371	4.1
65.03921	4.6
67.05497	89.7
69.03406	7.0
69.07054	24.0
71.08639	5.0
71.19502	3.5
79.05477	76.9
80.09184	3.8
81.07042	75.7
83.04993	5.0
83.08589	17.6
85.02895	8.9
85.06508	5.6
91.03927	5.6
91.05468	100.0
93.07030	87.3
95.04928	8.9
95.08592	46.3
97.06551	5.2
105.04516	3.5
105.07016	72.1
107.04922	6.1
107.08573	35.7
109.10142	20.9
115.05448	5.2
117.06319	4.6
117.07019	59.5
119.08566	64.4
121.10135	23.6
123.08047	4.3
123.11638	4.9
128.06233	6.3
129.05489	4.1
129.06970	46.2
131.08554	60.5
133.10104	38.9
135.08008	4.8
135.11702	9.6
141.06969	26.6
142.07718	6.3
143.08546	35.3
145.10103	53.4
147.11713	19.2
149.09520	4.4
153.06960	4.1
155.07405	3.6
155.08527	34.0
157.10135	34.9
159.11678	18.9
165.07018	6.3
167.08534	9.0
169.10078	26.0
171.11662	22.2
173.13205	15.8
175.14827	6.1
179.08527	8.6
181.10115	20.5
183.11714	19.1
185.13234	8.1
187.11166	5.1
193.10147	5.4
195.11732	16.7
197.13225	6.7
201.16429	4.8
209.13281	5.5
211.14732	7.6
213.16362	7.2
221.13335	5.4
223.14885	5.0
237.16510	5.1
267.20920	5.7
283.20505	8.4
285.22156	6.1
333.24323	17.6
495.29837	5.1
525.40912	4.3
543.41748	16.2
635.46643	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
65.03922	4.4
67.05135	3.8
67.05492	76.7
69.03409	9.8
69.07050	20.4
71.04971	5.2
71.08619	20.2
77.67027	2.1
79.05473	83.6
81.03389	10.9
81.07039	72.9
83.04961	10.6
83.08614	10.5
85.02922	8.3
85.06519	2.5
91.05462	88.5
93.07026	67.6
95.04942	19.8
95.08587	53.1
97.02872	8.6
97.06515	5.7
97.10158	3.5
97.16228	2.3
99.08067	12.1
103.05466	3.6
105.07008	53.7
107.04959	10.1
107.08581	29.7
109.06512	3.8
109.10159	17.2
109.10780	2.2
115.05434	11.7
117.06996	47.2
119.08563	26.7
121.06521	3.6
121.10101	22.9
123.08031	8.7
123.11711	4.0
128.06178	13.7
129.06985	38.7
131.08546	44.5
133.06465	4.0
133.10100	13.9
135.08031	10.7
135.11638	9.8
141.06990	20.9
142.07767	4.9
143.08534	27.7
145.10104	21.0
147.08052	5.4
147.11641	4.9
149.09608	2.9
155.08553	17.6
157.10095	20.2
159.08002	2.6
159.11674	15.4
161.09605	2.4
161.13248	9.7
165.06985	3.1
167.08572	5.0
169.10040	17.1
171.11601	13.7
173.09644	4.3
173.13216	10.1
181.10089	10.3
183.11656	12.8
185.09711	2.9
185.13213	12.7
187.11131	10.0
195.11720	3.0
201.12723	5.5
239.17908	3.0
241.19518	3.5
249.15523	2.1
255.20927	2.6
261.22272	4.1
283.20639	7.7
293.17490	15.3
301.21500	9.5
335.25735	100.0
336.25958	3.2
375.25180	11.9
427.08240	2.5
524.32019	2.4
553.38776	35.8
635.46167	10.2
653.46930	3.6
834.15887	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	850.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87060	0.6
61.02908	7.6
61.54554	0.7
65.03917	1.4
66.27328	0.6
67.05491	52.0
69.03417	6.2
69.07045	14.1
71.01275	0.7
71.04979	5.9
73.02890	1.4
73.06534	0.9
74.49278	0.6
79.05473	85.5
81.03396	66.7
81.07037	52.5
83.04961	27.6
83.08601	22.4
85.02421	1.3
85.02888	26.3
85.06517	4.6
91.03925	4.3
91.05457	79.5
93.07021	73.1
95.04941	35.8
95.08011	1.1
95.08586	28.7
97.02852	7.2
97.06498	4.6
97.10132	5.8
98.54646	0.7
99.04444	1.0
99.08054	1.3
105.04466	1.2
105.07009	54.1
107.04929	12.2
107.08576	21.6
109.06514	10.7
109.10139	8.2
111.04417	1.3
111.08049	8.2
111.55959	0.7
113.05949	3.3
115.05424	1.0
117.06979	7.4
119.04888	0.9
119.08555	40.1
121.06468	4.5
121.10135	9.1
123.08047	6.3
123.11677	0.9
127.03857	1.0
127.07545	1.7
128.06180	4.0
129.06970	23.1
131.08530	12.5
133.06445	4.2
133.10103	19.2
135.11667	2.6
137.09581	1.5
142.07713	3.2
143.08546	9.7
145.04945	0.9
145.10103	13.2
147.08014	6.8
147.11661	46.6
149.09587	6.5
157.10100	11.1
161.09602	5.7
161.13232	10.7
163.05946	0.7
163.11087	0.9
165.12709	1.3
171.11652	24.1
175.11111	12.8
189.12752	6.8
193.12199	28.5
207.13766	17.5
211.13239	22.5
211.15250	0.7
225.15010	0.7
249.14772	0.9
267.15836	28.2
281.17407	80.2
282.17511	0.9
285.16898	20.8
473.28867	100.0
491.29938	87.2
492.30084	1.4
557.85913	0.8
635.33643	1.7
852.86975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70395	3.4
60.67386	3.0
61.02911	5.8
64.16880	3.2
67.05494	79.9
69.03409	7.2
69.07055	31.2
71.08595	8.6
72.90000	3.2
73.02899	3.3
77.03410	2.9
79.05482	79.9
81.03397	5.3
81.07043	93.0
83.04955	6.0
83.08605	8.6
85.02883	6.2
85.06549	3.8
91.05459	100.0
93.06475	5.9
93.07033	75.3
95.04943	16.7
95.08575	52.4
97.06532	14.2
99.08073	5.0
105.07021	55.8
107.08572	36.8
109.06533	4.3
109.10141	17.9
111.08102	4.3
115.05494	4.9
117.06998	29.7
119.08566	34.4
121.10125	21.8
128.06248	3.7
129.06990	25.0
131.08556	43.8
133.10115	27.7
135.08037	15.3
135.11699	7.6
141.06938	4.3
143.08568	8.8
145.10106	20.9
147.11705	14.3
149.13266	8.4
153.78830	3.3
157.10110	14.8
159.11696	7.6
161.13258	4.4
169.10132	4.6
171.11691	5.2
181.10181	5.3
185.13202	5.3
187.11198	4.0
194.13203	3.8
198.18475	6.8
203.17981	6.0
248.88252	3.7
250.33842	3.7
269.17709	11.2
269.22693	4.2
287.23602	5.7
290.65417	4.3
335.25766	34.4
349.23740	7.0
361.27310	15.1
375.25076	5.6
555.40155	27.5
605.74280	3.8
635.46393	17.9
653.47113	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	850.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	7.5
65.03927	1.3
66.17368	0.9
67.05147	1.5
67.05496	43.3
67.51719	0.8
69.03413	4.7
69.07056	8.9
71.04986	3.3
73.06522	1.7
79.05480	69.4
81.03401	68.1
81.07040	41.8
83.04965	22.5
83.08609	20.2
85.02888	23.8
85.06521	1.4
91.03922	4.6
91.05463	60.6
92.09294	2.3
93.07027	59.4
95.04951	36.4
95.08588	23.0
97.02859	6.1
97.06490	2.3
97.10152	6.2
105.07013	42.5
107.04947	13.2
107.08589	14.5
109.06499	8.6
109.10129	4.4
111.04436	2.2
111.08087	8.3
115.05436	2.2
117.07022	7.4
119.08552	31.2
121.06474	1.5
121.10133	10.4
123.08020	4.9
123.11743	1.3
127.03902	1.3
127.07578	1.3
128.06180	1.9
129.06976	19.9
131.08559	13.0
133.06413	1.4
133.10123	15.7
136.83209	1.0
137.09547	1.5
142.07777	1.9
143.08534	5.7
145.10115	8.6
147.07985	4.2
147.11665	38.8
149.09593	4.6
157.10132	13.2
161.09601	1.3
161.13203	6.2
165.12782	1.9
171.11650	14.8
175.11133	12.1
188.81981	1.0
189.12755	4.5
193.12225	33.1
207.13760	10.0
211.13264	21.5
238.92590	1.0
267.15903	23.1
281.17432	34.5
285.16901	20.4
427.17596	0.9
473.28925	100.0
474.29150	4.0
491.29941	69.2
523.38080	1.3
635.33942	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	850.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58431	0.7
60.60189	0.8
65.03937	6.3
67.05511	1.7
70.06584	23.2
71.08632	3.4
72.08148	1.3
76.29688	1.0
78.29021	0.9
79.05488	1.9
82.31488	0.8
84.34943	1.0
88.07616	26.7
91.05490	1.9
92.09448	1.3
95.04952	1.2
97.10146	0.9
97.61680	0.9
102.09164	20.0
102.09825	1.1
105.07042	1.6
107.28062	1.0
112.05406	0.8
119.08629	1.2
121.02895	1.2
125.09630	1.2
139.03966	3.9
147.04471	1.0
149.02336	100.0
149.03380	7.5
175.03929	1.1
177.05406	1.2
191.06995	1.7
193.04942	53.6
215.66826	0.9
219.06557	4.1
236.14891	1.6
237.07561	11.9
237.95811	0.9
256.26306	53.0
291.19547	1.2
297.04108	1.0
313.07303	1.2
341.06717	3.8
385.09238	6.0
390.30920	1.0
542.82178	1.1
577.13501	8.1
621.15979	7.5
850.39917	79.7
851.39490	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	849.2016
Annotation	Epiafzelechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin
Peak:m/z	Relative Intensity
60.77937	0.2
63.97102	0.3
68.99763	2.3
85.02900	0.4
91.05420	0.4
92.09244	0.3
95.04902	0.3
107.04916	2.2
109.02856	0.3
111.00779	1.1
111.04411	0.6
115.05440	0.3
119.04913	0.6
121.02835	14.1
123.04402	9.5
127.03889	4.6
131.04890	1.4
135.04369	4.3
137.02292	0.5
139.03873	8.8
145.02756	0.4
145.06453	1.5
147.04393	4.3
149.01253	0.4
149.02332	4.6
151.03885	1.6
153.01808	2.6
155.03378	0.4
157.06421	0.6
159.04362	1.3
161.05960	1.3
163.03850	6.4
165.05458	0.6
167.03322	0.4
169.06419	1.2
173.05975	2.2
177.05382	1.1
179.03363	0.6
181.06430	0.7
182.23955	0.3
182.88628	0.3
183.04391	0.4
185.05933	1.8
186.97386	0.3
187.03835	3.1
187.07390	0.5
189.05457	0.5
191.03325	2.4
192.19597	0.3
193.04930	0.6
197.05962	2.0
201.05493	2.2
202.06171	0.3
203.03238	2.3
203.06981	0.6
205.04977	0.6
207.06432	0.5
213.05434	1.8
215.03500	0.4
215.06987	6.9
217.04875	0.3
225.05435	1.4
226.06038	0.3
227.07095	0.6
229.04881	3.6
231.06450	5.0
233.04305	0.7
241.04919	2.2
242.05748	0.6
243.06482	4.2
245.04443	2.5
247.05930	4.3
247.86864	0.3
251.07074	0.3
253.04889	2.4
255.06482	1.9
257.04385	14.8
258.05063	0.5
259.05951	5.4
265.04910	0.7
267.06305	0.4
269.04358	1.2
270.05035	0.3
271.05933	100.0
273.07541	0.4
275.05405	0.5
281.04425	0.5
283.05954	5.1
285.03879	1.3
287.05368	3.5
289.06973	1.2
295.06018	1.8
297.03745	0.5
299.05371	1.1
301.06888	3.1
303.08585	0.3
307.05899	0.4
317.07782	0.4
333.07562	0.4
345.07468	0.9
349.07053	0.4
351.04565	0.5
351.08447	0.3
361.06992	1.2
363.08435	0.4
373.07056	1.5
375.08478	1.4
379.08017	1.4
380.27783	0.3
387.08582	0.6
391.08014	2.1
393.09912	0.3
397.09064	2.7
401.06433	0.4
403.07993	1.1
409.09073	5.4
411.10745	3.3
419.07349	0.4
427.10101	0.5
431.07425	0.3
433.09122	1.3
453.11395	0.5
503.46979	0.3
509.08572	0.5
517.11169	11.4
527.09467	4.5
541.10999	0.5
545.10394	1.2
553.11145	0.4
557.10553	1.5
559.11749	0.4
679.14319	6.8
693.20148	0.3
697.15247	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	848.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	46.7
69.03421	2.6
69.07063	18.4
71.08620	74.1
79.05477	63.7
81.03409	5.3
81.07040	45.0
83.04956	4.7
83.08640	3.2
85.02880	3.1
85.06527	3.5
91.05470	89.1
93.07027	49.5
95.04957	15.3
95.08591	30.6
97.06532	11.8
97.10126	3.0
98.23562	2.5
99.08083	31.5
103.05431	4.3
105.07016	61.8
105.07660	4.2
107.04968	9.8
107.08572	19.6
109.06546	4.1
109.10143	9.7
109.77542	2.3
115.05412	6.0
117.07000	63.1
117.07775	4.6
119.08561	58.4
121.06540	12.8
121.10161	14.4
123.08048	9.7
128.06204	5.2
129.05495	3.1
129.07019	27.3
131.08545	30.7
133.06442	2.9
133.10123	26.5
135.08044	5.5
135.11688	12.7
141.06992	16.3
143.08574	24.3
145.10100	24.9
147.08063	4.0
147.11668	15.0
149.13254	3.3
151.11179	58.1
155.08685	2.4
157.10083	14.0
159.08133	3.1
159.11662	12.0
161.09473	2.9
161.13257	10.0
169.10104	20.2
170.10780	2.5
171.11668	13.3
173.13245	6.1
177.12810	3.0
181.10036	5.1
184.07353	5.1
185.09589	3.2
185.13220	20.8
187.11166	11.6
187.14859	2.7
195.11688	3.8
199.14734	3.1
203.14319	4.5
217.15878	16.1
235.16809	4.2
241.19522	10.5
259.20541	6.1
275.20078	2.9
283.20499	5.6
315.23099	3.9
333.24255	34.6
349.23651	5.5
375.25436	24.3
440.85754	2.7
450.62216	2.6
537.35760	3.3
633.45032	100.0
634.43372	2.7
651.45374	3.2
848.50751	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	848.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	13.5
62.12046	1.1
64.88469	1.5
65.03925	6.3
67.05496	93.9
68.05810	1.2
69.03411	7.2
69.07056	22.6
71.04982	2.0
72.53221	1.2
73.02905	5.5
79.05479	96.4
81.03414	5.3
81.07040	71.6
83.04951	4.6
83.08614	9.1
85.02896	12.4
85.06529	5.8
91.03955	5.4
91.05463	100.0
93.07027	82.9
95.04936	10.1
95.08005	2.4
95.08590	52.6
97.02859	10.8
97.06532	7.3
97.10169	1.9
99.07977	1.5
103.05444	2.4
105.07018	78.9
107.04964	3.1
107.08585	38.6
109.06529	3.3
109.10134	14.2
111.08095	1.9
115.05424	6.5
116.06219	2.1
117.07005	61.6
119.08566	55.7
121.06499	2.2
121.10118	29.2
123.08074	3.1
123.11676	2.8
127.03967	1.7
128.06195	15.4
129.05461	3.0
129.06993	47.1
130.07739	2.6
131.08551	60.7
133.06433	1.8
133.10106	32.3
135.08046	8.1
135.11681	13.9
141.06975	33.0
142.07758	8.2
143.08548	33.8
144.09319	2.5
145.06490	1.8
145.10112	33.7
147.08115	2.4
147.11676	16.5
149.09567	2.1
149.13255	5.9
153.06995	8.2
154.07771	6.9
155.08545	29.2
156.09315	1.9
157.10104	32.8
158.69106	1.3
159.11638	22.5
161.09572	3.4
161.13263	8.2
163.11264	2.0
165.06987	8.9
166.07767	6.1
167.08543	22.4
168.09195	2.8
169.10103	24.0
171.11668	26.8
173.09651	3.3
173.13251	12.0
175.14819	2.6
178.07683	2.2
179.08527	13.4
180.09319	3.2
181.10078	24.1
181.11333	1.7
182.10912	1.5
183.11656	22.0
185.09685	2.2
185.13248	15.0
187.11198	2.6
187.14850	5.7
191.08563	1.7
193.10117	16.7
195.11661	21.0
197.13239	14.3
199.11163	2.2
199.14734	14.0
201.12682	2.0
201.16409	3.0
204.09415	1.8
205.10095	7.6
206.10973	2.1
207.11652	13.5
209.13255	13.3
211.11339	1.8
211.14821	8.4
213.12807	1.9
213.16379	2.6
217.10146	1.6
219.11691	6.5
220.12556	1.5
221.13235	11.1
222.14006	1.8
223.14806	9.1
225.16412	2.6
227.14325	1.5
233.13191	6.1
234.14162	1.9
235.14774	6.0
237.16319	6.6
239.17976	3.3
241.19615	2.7
245.13219	2.4
247.14946	1.4
249.16331	6.8
251.17891	2.2
253.65784	1.4
259.20316	4.8
263.17926	5.7
265.19510	2.8
277.19492	1.9
281.19037	3.1
283.20581	2.1
293.37976	1.3
295.34573	1.8
321.22290	2.0
325.21857	1.7
333.24295	17.2
333.58215	1.4
335.26056	2.2
441.32019	1.7
495.29926	11.2
541.40302	11.9
559.40521	1.8
615.43604	2.5
633.45068	57.4
795.49506	2.6
847.49969	2.9
848.50281	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	848.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.8
65.03930	2.4
67.05495	83.9
69.03401	6.3
69.07052	32.4
71.04974	6.7
73.02898	2.1
79.05475	74.6
81.03401	9.6
81.07039	78.0
83.04976	8.8
83.08613	7.8
85.02878	8.1
85.06525	5.8
86.09708	1.4
91.05463	84.7
93.07027	77.3
95.04948	17.1
95.08006	2.3
95.08586	53.0
97.02853	6.1
97.06499	12.6
103.05445	9.0
105.03391	1.2
105.04529	1.5
105.07013	52.2
107.04943	7.6
107.08584	30.2
109.06504	4.8
109.10139	18.0
111.08060	4.2
115.05452	10.5
116.06190	2.0
117.06992	53.5
119.08551	26.7
121.06461	9.6
121.10132	19.3
121.76250	1.1
123.08040	8.1
123.11641	2.4
127.03922	1.5
128.06160	10.2
129.05492	2.6
129.06992	34.6
130.07687	1.5
131.08543	46.3
133.06450	5.4
133.10083	15.5
135.08029	11.7
135.11656	8.9
137.09581	1.4
139.07555	1.4
141.06970	27.4
142.07741	5.4
143.08539	19.2
145.06474	6.7
145.10103	24.0
147.08038	5.3
147.11690	8.2
149.09593	5.5
149.13243	4.9
153.07013	4.8
154.07753	6.6
155.08524	22.2
156.09343	1.3
157.10080	18.2
159.08084	4.5
159.11687	12.3
161.09601	2.0
161.13226	4.7
163.11139	1.3
163.14801	1.4
165.06944	4.1
167.08560	6.9
169.10092	22.3
171.11639	12.4
173.09639	2.4
173.13145	8.8
175.11095	1.4
177.12704	1.4
178.07663	1.7
179.08492	2.3
181.10106	5.2
183.11652	14.2
185.09660	4.5
185.13255	6.7
187.11147	11.5
187.14735	2.4
189.12834	1.4
193.10115	5.0
195.11604	4.8
197.09555	1.5
197.13219	8.3
199.11156	2.4
201.12657	8.1
201.16420	1.8
203.14305	1.8
207.11610	2.4
209.13121	2.3
211.11171	5.6
213.12766	1.8
215.14285	2.5
219.13826	1.8
221.13255	4.9
229.12143	2.1
231.13919	1.1
239.17953	2.5
253.19531	1.7
261.22076	5.5
263.17905	4.3
279.15839	2.3
279.83395	1.2
281.19000	8.1
293.17328	8.1
299.19913	9.6
333.24155	1.4
335.25742	100.0
336.26047	2.3
355.22412	1.7
373.23611	9.8
378.02802	1.2
391.24472	1.9
497.30917	2.1
539.37256	9.4
553.38745	20.4
554.38525	1.1
633.44873	9.7
651.45282	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	848.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.3
61.02907	5.8
65.03918	1.0
67.05491	26.0
69.03411	1.7
69.07050	9.9
71.04974	2.3
73.02914	1.3
73.06537	1.6
79.05478	49.5
81.03407	11.5
81.07043	31.7
83.01340	5.1
83.04968	14.8
83.08614	9.1
85.02895	9.5
91.03945	1.6
91.05466	39.8
93.07024	50.3
95.04944	18.0
95.08588	16.9
97.02877	6.6
97.06535	1.9
97.10144	1.8
99.04430	2.4
105.04496	1.3
105.07019	29.6
107.04929	9.0
107.08587	14.4
109.06490	9.3
109.10157	4.5
117.07007	10.1
119.08567	18.4
119.09447	1.1
119.09731	0.8
121.06487	4.5
121.10144	6.4
123.08013	6.9
128.06203	1.1
129.06987	12.3
131.08557	6.1
133.10089	7.8
135.11688	5.8
143.08562	5.4
145.10123	12.7
147.08101	2.1
147.11696	22.6
153.12788	1.1
161.09573	2.2
161.13258	5.8
163.11136	13.1
171.11653	14.9
173.09450	1.4
175.43646	1.0
189.12749	6.3
191.10725	1.1
200.32448	1.0
207.13741	8.4
225.77774	1.0
259.90793	1.0
265.14291	1.2
281.17398	32.8
283.15396	24.5
301.11426	1.2
364.80347	1.3
391.16913	1.1
471.27176	10.4
489.28381	100.0
490.28552	4.2
600.12384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	48.2
69.03445	3.7
69.07050	71.4
71.08622	3.5
73.02898	3.8
78.05318	3.5
79.05478	66.6
79.13872	3.4
81.03398	17.1
81.07050	62.0
83.04981	5.8
83.08600	5.8
91.05463	100.0
92.08705	8.5
93.07022	59.3
95.04942	15.9
95.08593	26.3
97.06525	18.3
99.96905	3.9
103.05433	6.9
104.93789	4.1
105.07002	67.5
107.04939	34.8
107.08607	30.3
109.06514	4.8
109.10149	8.1
115.05405	16.9
117.07000	81.7
119.08556	62.5
121.06511	8.7
121.10106	9.0
124.99992	4.9
129.06992	31.6
131.08557	46.6
133.10129	22.4
135.08060	9.0
135.11676	6.3
141.07001	25.3
143.08514	20.9
145.06473	21.1
145.10114	18.3
147.11673	20.4
149.09616	23.6
155.08542	21.9
157.10138	5.1
159.11656	9.4
161.09608	4.6
161.13188	5.3
163.07524	9.1
169.10121	18.2
171.11681	16.0
173.13202	9.2
183.11687	7.5
184.07335	22.8
185.13245	16.1
187.11177	5.1
193.70599	3.9
213.12747	4.0
215.14299	6.2
233.15324	5.3
241.19492	6.6
274.25174	4.4
301.12271	4.6
333.24149	27.2
373.23642	20.8
475.47324	4.4
515.24762	5.0
631.43549	85.4
644.59229	4.5
649.44391	7.7
845.47968	6.0
846.49603	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.4
67.05497	9.8
69.03411	4.3
69.07062	1.6
70.47823	0.8
73.02905	5.5
79.05476	5.1
81.03384	2.8
81.07035	7.4
83.08611	0.6
85.02885	7.6
88.70304	0.7
90.22683	0.6
91.03960	3.5
91.05469	4.5
93.07020	7.1
94.41019	0.8
94.63136	0.7
95.04948	1.4
95.08595	4.2
97.02883	4.9
101.02355	1.4
105.07025	1.7
107.08583	1.5
109.10159	3.5
113.31909	0.7
117.07001	1.4
119.08572	1.5
121.10170	1.6
127.03931	1.2
131.08543	2.7
133.10085	0.8
135.11638	0.9
145.10255	0.9
185.04167	0.7
243.08453	3.1
259.99173	0.8
295.60025	0.7
351.21558	1.7
362.72946	0.7
474.72412	0.8
519.29346	3.8
553.30511	1.0
569.29199	5.6
587.47198	1.4
847.51617	100.0
848.52209	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	846.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.5
67.05499	26.1
69.07045	7.4
79.05478	51.7
81.03401	7.1
81.07043	29.6
83.04958	8.6
83.08607	2.7
85.02899	5.0
85.06507	1.5
91.05468	40.3
93.07029	50.1
95.04942	17.0
95.08595	19.0
97.06516	4.1
97.10117	2.0
105.04539	1.6
105.07018	30.7
107.04930	4.6
107.08568	11.7
109.06490	2.7
109.10146	4.3
117.07046	7.8
119.08563	17.7
121.10142	1.8
123.08064	2.3
128.06198	1.2
129.07005	13.4
131.08583	1.6
133.10101	5.9
135.11693	1.8
137.05940	2.2
143.08585	7.3
144.06793	1.6
145.10110	7.2
147.08040	1.5
147.11667	27.4
151.27061	1.3
161.09584	4.4
161.13248	7.2
163.11115	1.5
171.11676	18.9
180.83459	1.1
189.12727	6.7
191.52617	1.0
207.13742	10.4
260.72900	1.2
281.17441	27.4
469.29352	2.2
487.30515	100.0
488.30536	1.3
631.33789	1.3
772.87494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.9
66.48824	0.4
67.05492	5.8
69.03417	4.1
69.07059	2.2
71.04975	0.7
73.02908	3.8
79.05474	7.3
81.03406	2.3
81.07040	6.7
83.04962	0.6
83.08628	0.7
85.02883	5.6
91.03948	2.2
91.05458	5.9
93.07024	6.6
95.04948	1.0
95.08595	3.0
97.02866	4.9
99.04439	0.7
101.02375	2.2
105.07012	4.9
107.08608	2.7
109.10133	0.8
117.06999	0.9
119.08597	2.5
121.10141	1.1
127.03863	0.8
131.08597	2.0
133.10147	2.6
135.11705	1.1
145.10210	0.6
147.11687	0.8
149.13301	0.5
149.70193	0.5
159.11673	0.5
160.61533	0.6
163.11157	0.5
184.07463	0.8
243.08336	3.2
279.01810	0.5
301.08862	1.6
315.10519	0.7
321.23151	0.4
333.20432	2.7
439.19562	1.7
453.20981	1.8
535.28607	6.3
551.28046	8.1
623.30133	0.8
834.16895	0.6
845.50006	100.0
846.50500	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.9
65.65918	0.4
66.06255	0.4
67.05487	6.6
69.03421	3.8
69.07056	1.6
71.04993	0.4
73.02901	4.0
79.05475	5.6
80.44791	0.3
81.03413	1.7
81.07043	6.8
83.04969	0.6
83.08604	0.5
85.02895	5.9
86.09717	0.7
91.03945	3.6
91.05473	3.2
93.07019	4.8
95.04959	0.7
95.08590	4.8
97.02872	4.7
97.10151	0.5
99.04444	0.5
101.02369	0.9
104.03220	0.4
105.07020	1.9
107.08579	2.8
109.02895	0.7
109.10154	2.6
117.07011	0.5
119.08534	1.5
121.10133	1.5
123.08054	0.6
124.99966	0.6
125.09663	0.4
127.03930	2.2
131.08568	1.8
133.10126	1.5
135.11699	0.9
145.10138	1.7
147.11696	0.5
163.11310	0.4
184.07361	2.3
185.04266	0.6
203.05257	0.5
243.08453	2.6
301.09048	0.5
335.25778	0.7
349.19803	4.3
405.22586	0.4
462.88855	0.4
519.29272	9.1
567.27917	2.4
591.31171	0.5
630.48529	0.4
691.10651	0.4
804.62628	0.4
845.50037	100.0
846.50427	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51086	0.4
61.02923	4.5
67.05480	4.4
69.03424	2.8
69.05185	0.4
69.07061	2.2
73.02904	4.0
79.05483	4.9
80.54987	0.4
81.03414	2.1
81.07052	5.9
83.04980	0.7
83.08626	0.6
85.02904	3.9
85.06564	0.4
87.04467	0.5
91.03935	3.3
91.05450	4.5
92.65725	0.4
93.07031	4.4
95.04964	1.6
95.08597	2.4
97.02880	4.2
97.06522	0.8
101.02368	1.9
104.57678	0.4
105.07008	4.2
107.08599	2.7
109.02846	0.8
109.10166	0.8
109.98960	0.5
117.07003	0.7
119.08594	2.8
121.10156	1.1
127.03945	1.8
131.08569	1.0
133.10149	2.6
134.89973	0.5
135.11726	0.9
147.11670	0.9
149.13312	0.5
157.10199	0.7
185.04216	0.9
243.08279	3.3
259.20422	0.6
301.08926	1.9
306.37457	0.5
315.10562	0.5
333.20398	2.4
359.21835	0.5
369.31036	0.5
435.67587	0.4
439.19510	1.7
453.21121	1.7
465.21402	0.5
535.28473	5.7
551.28400	10.4
845.50098	100.0
846.50446	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01229	1.3
61.02920	6.9
67.05501	10.0
70.74028	1.4
73.02910	3.6
79.05486	7.1
81.07043	3.3
83.08610	1.4
85.02892	3.1
90.84226	1.4
91.03979	2.1
91.05483	3.7
93.07044	6.4
97.02872	2.8
97.10162	3.5
102.70029	1.7
105.07063	3.3
117.07069	2.1
119.08614	2.4
125.09624	2.1
131.08604	1.7
184.07304	6.1
243.08467	2.6
267.50571	1.7
274.53809	1.5
301.08978	2.7
333.20526	3.5
467.22479	1.9
535.28760	2.7
551.28137	10.1
830.49402	1.9
845.50024	100.0
846.49652	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	0.9
61.02916	5.2
61.45852	0.7
67.05501	5.8
69.03421	3.7
69.07063	3.3
71.57827	0.7
73.02908	4.6
79.05489	5.9
81.03409	1.5
81.07057	6.7
85.02916	4.0
86.09722	3.7
89.14428	0.8
91.03966	1.4
91.05446	6.1
93.07006	7.0
95.04944	1.5
95.08587	2.1
97.02886	4.5
101.02363	1.1
105.07017	6.3
107.08591	3.5
109.10142	1.0
117.07033	1.4
119.08604	4.5
121.10181	1.5
125.00001	1.6
127.03899	0.8
129.07004	1.2
131.08601	2.1
133.10129	0.9
135.11658	1.3
140.16272	0.9
142.87006	1.0
147.11726	1.0
182.11047	0.9
184.07323	7.3
225.34583	0.9
241.94972	0.9
243.08368	1.7
301.08859	1.3
333.20190	1.5
367.51932	0.9
385.18439	1.2
535.28839	5.0
551.28546	7.5
598.27698	1.0
844.48871	1.5
845.50079	100.0
846.50397	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30269	0.6
61.02922	4.0
67.05494	7.2
67.57292	0.6
69.03413	1.7
69.07053	0.9
69.96601	0.8
73.02910	3.6
79.05491	6.6
81.03394	1.3
81.07056	5.1
81.77993	0.8
85.02892	5.1
85.06556	1.0
86.09705	1.2
91.03936	1.5
91.05459	6.5
92.08588	0.8
93.07041	7.4
95.04984	4.4
95.08595	3.0
97.02892	4.3
97.06565	1.1
101.02424	1.1
105.04554	0.9
105.07029	4.9
107.08607	3.7
109.06506	1.7
113.06030	3.1
117.06989	1.6
119.08591	3.4
121.10159	1.7
124.99982	0.8
126.07433	0.8
127.03915	0.7
131.08586	1.7
133.10136	2.9
134.40633	0.8
140.34891	0.7
159.11642	1.1
184.07344	1.5
203.05289	0.9
217.15854	1.0
243.08517	4.8
268.96942	0.8
301.09000	1.1
331.18896	4.9
387.21021	1.0
465.21713	1.0
496.43768	0.8
535.28784	6.7
549.26874	6.3
843.48529	100.0
844.48901	5.8
872.78821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.0
67.05495	8.9
69.03416	3.9
69.07053	3.9
73.02901	4.0
79.05475	5.6
81.03408	1.3
81.07035	8.1
83.04953	0.9
83.08609	1.2
85.02884	6.3
87.25948	0.8
91.03952	3.5
91.05488	3.3
92.09352	3.4
93.07039	4.9
95.04967	0.9
95.08595	6.5
97.02895	5.0
97.68734	0.7
101.02374	1.5
105.07039	1.4
107.08615	3.1
109.02944	1.1
109.10161	1.4
117.07097	1.0
119.08524	0.9
121.10121	1.8
127.03917	1.0
133.10120	1.0
135.08052	0.8
148.47786	0.8
149.13254	1.0
167.62851	0.7
243.08391	2.9
321.10876	0.9
347.18384	1.1
396.59668	0.9
443.72678	0.7
461.58920	0.9
519.29248	9.2
565.25690	1.0
843.48444	100.0
844.48779	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	843.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91401	0.3
61.02915	5.3
67.05494	6.5
69.03416	4.0
69.07059	2.1
71.01348	0.5
71.04993	0.6
73.02909	4.9
79.05476	7.4
81.03418	1.9
81.07036	6.2
83.04996	0.4
83.08614	1.2
85.02896	6.1
88.94761	0.3
91.03937	3.1
91.05463	7.3
91.05984	0.3
93.07030	8.2
95.04940	2.3
95.08591	4.8
97.02883	5.4
97.06525	0.6
97.10212	0.3
101.02377	2.1
102.74922	0.3
103.46423	0.3
105.07011	5.9
107.04938	0.7
107.08582	3.8
109.02888	1.4
109.06523	0.7
109.10187	2.1
117.07032	1.5
119.08584	3.8
121.10139	2.3
124.46328	0.3
127.03928	1.3
129.05496	0.6
129.07007	0.6
131.08527	2.2
133.10117	3.8
135.11684	0.6
143.08560	0.7
145.10141	1.8
147.11700	1.4
149.09595	0.4
151.11227	0.5
151.30162	0.3
157.10115	0.4
159.11745	1.3
161.09578	0.5
161.13277	0.4
173.13219	0.4
185.04224	0.7
185.13332	0.4
193.12186	0.7
195.13808	0.3
243.08388	5.1
244.85916	0.3
259.20450	0.4
301.08844	2.5
313.08890	0.4
313.17844	1.4
315.10675	1.5
327.10712	0.4
331.18723	4.3
357.15646	0.4
369.15277	0.5
373.11182	0.5
435.11935	0.4
451.19482	1.5
465.20947	0.7
525.23004	0.4
531.25592	3.1
535.28735	6.7
549.26862	2.4
607.30945	0.8
745.41577	1.6
825.47382	6.4
843.48511	100.0
844.48596	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	0.5
61.02925	5.9
65.03950	0.7
67.05141	1.0
67.05499	28.3
68.05839	1.1
69.03414	4.2
69.07060	9.4
69.85220	0.5
71.04988	1.4
73.02908	4.4
79.05479	17.7
81.03416	3.9
81.07043	25.9
82.07383	1.4
83.04986	1.2
83.08619	4.0
85.02897	4.7
85.06570	0.8
85.90166	0.5
86.09695	0.6
91.03947	3.3
91.05471	16.4
91.06005	0.9
92.05776	0.6
93.07030	20.4
94.07388	2.3
95.04964	2.8
95.08600	14.5
96.08914	0.7
97.02883	4.4
97.06535	3.0
97.10186	2.1
99.04452	0.9
101.02388	0.9
105.07014	12.4
106.07381	1.2
106.13907	0.6
107.04980	0.9
107.08601	12.5
107.96884	0.5
109.02921	1.0
109.06520	1.2
109.10141	12.6
110.10495	1.1
111.08093	1.2
117.07044	3.8
119.08572	8.5
121.06540	0.7
121.10107	6.2
123.08062	0.6
123.11741	1.0
125.00072	0.6
125.09628	0.8
127.03915	0.6
129.07045	0.9
131.08542	5.8
133.06494	0.6
133.10107	8.9
135.08099	0.9
135.11639	4.7
137.09666	0.7
143.08496	0.6
145.10156	4.7
147.11736	3.5
149.09619	2.2
149.13293	3.2
151.11284	0.7
157.10162	0.8
159.11739	2.4
161.13329	0.8
165.09259	0.6
167.61035	0.5
171.11641	0.7
173.13260	1.0
184.07330	1.1
185.04179	1.0
197.37901	0.6
203.05354	0.8
229.14398	5.5
230.14633	1.0
243.08345	5.2
261.22293	1.0
269.17514	3.2
270.17941	0.9
275.20096	3.7
276.20450	0.8
293.20944	0.6
301.09088	1.2
315.10730	0.8
331.19003	3.1
335.25760	8.0
336.26126	3.9
349.23743	2.5
371.17252	0.9
385.18176	0.6
465.21262	1.0
467.22125	0.7
489.36090	2.6
490.36520	0.9
519.29095	2.3
529.38757	4.4
530.39075	4.5
535.28687	4.3
549.26501	6.4
569.42493	0.9
609.45404	3.6
610.45435	2.3
627.46387	2.4
628.46454	2.8
746.41956	2.9
843.48511	100.0
844.48981	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	843.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.2
65.03925	0.9
66.31079	0.4
67.05492	38.7
68.05828	1.8
69.03415	5.4
69.07053	13.1
71.04978	1.8
73.02901	4.1
79.05474	26.1
80.05818	2.9
81.03393	3.3
81.07038	38.5
82.07389	2.8
83.04975	3.1
83.08607	6.3
84.08939	0.7
85.02898	5.2
85.06539	0.9
91.03946	3.0
91.05457	17.3
91.06000	1.0
92.05782	1.7
93.07021	30.6
94.07359	2.4
95.04951	4.8
95.08584	23.6
96.08920	2.1
97.02869	4.6
97.03428	0.4
97.06483	3.8
97.10139	4.3
97.98285	0.5
98.06847	0.6
99.08054	0.6
101.02377	1.8
105.07011	15.1
105.07655	0.8
106.07372	0.9
107.04958	2.5
107.08577	19.8
107.09283	0.7
107.32446	0.5
108.08937	2.2
109.02884	0.6
109.06539	1.0
109.10138	11.3
110.10503	1.1
111.08123	0.8
117.06985	5.4
117.77136	0.4
118.07351	0.7
119.08546	11.3
120.08923	0.9
121.06519	1.0
121.10119	10.5
122.10458	1.7
123.08065	1.9
123.11707	3.0
124.12051	0.6
125.09652	2.5
127.03895	1.9
129.06999	1.9
130.07730	0.5
131.08527	7.7
133.10112	9.5
134.10489	0.5
135.08054	2.3
135.11668	6.1
141.07054	0.5
143.08578	1.9
145.10138	6.6
146.10486	0.6
147.11659	5.4
148.12132	0.6
149.09674	2.3
149.13284	3.8
151.11287	0.5
157.10170	1.8
159.10585	0.5
159.11656	4.4
161.13283	2.7
163.11208	2.2
169.10089	0.8
171.11687	1.0
173.13251	1.0
177.12778	0.9
185.04250	0.8
185.13197	0.6
186.13594	0.6
187.14919	0.7
189.11095	1.5
195.14023	0.5
202.30113	0.6
211.14842	0.6
223.13235	0.8
229.14388	2.6
243.08295	4.2
257.19019	0.8
258.84708	0.5
261.22092	2.1
269.17340	5.9
270.17853	0.9
275.19980	6.2
276.20316	0.9
291.19626	0.7
301.08942	2.1
315.10425	0.5
331.18774	2.6
335.25732	17.4
336.25983	8.2
349.23499	3.6
350.24051	2.0
363.84583	0.5
367.24966	2.6
368.24896	1.5
429.22171	0.6
465.20859	0.7
489.35785	2.4
490.36115	0.9
529.38818	9.3
530.39099	7.8
535.28687	6.8
549.26788	5.3
569.42249	0.9
570.42657	0.8
609.44928	4.5
610.45349	4.9
621.28735	0.7
627.45813	4.0
628.46710	5.5
842.47089	0.6
843.48438	100.0
844.48492	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.6
67.05493	6.3
69.03417	3.5
69.07053	4.1
71.02554	0.4
71.04977	0.7
73.02888	4.1
79.05474	6.8
81.03407	3.0
81.07043	8.4
83.04976	1.9
83.08600	0.9
85.02892	4.6
85.06545	0.5
91.03938	2.0
91.05459	7.1
92.09412	0.8
93.07033	7.5
95.01233	0.4
95.04966	1.9
95.08594	4.9
97.02899	3.9
97.06530	0.8
97.10091	0.7
99.04444	0.6
101.02377	1.7
105.07022	6.2
107.04945	0.9
107.08558	3.2
109.02856	0.7
109.06520	0.7
109.10145	1.7
111.04499	0.4
112.99136	0.4
115.03943	0.4
117.07024	2.4
118.64175	0.4
119.08559	3.7
119.11464	0.4
121.10159	2.2
123.07995	0.6
127.03890	1.6
129.06969	0.4
131.01614	0.4
131.08607	2.7
133.10106	3.7
135.08034	0.5
135.11638	1.6
145.10143	0.9
147.11708	1.7
149.13258	0.7
149.70871	0.4
159.11725	1.7
161.13268	0.7
173.09564	0.4
173.13249	0.5
179.14308	0.8
184.07372	0.8
185.04286	0.5
243.08345	4.5
275.20026	0.6
291.19714	0.5
315.19208	4.0
333.20340	0.8
371.22009	0.8
373.73712	0.4
439.19037	0.8
453.21017	0.9
502.25504	0.5
533.27008	7.5
535.28894	0.6
549.26715	0.9
551.27991	5.9
676.56891	0.4
843.48499	100.0
844.49158	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	843.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50512	0.4
61.02915	5.8
67.05487	8.0
69.03404	3.8
69.07054	6.0
71.01349	0.6
71.04989	1.0
71.08620	1.7
73.02905	3.4
74.59523	0.5
79.05469	9.0
81.03410	3.2
81.07038	9.2
82.07383	0.5
83.04958	0.9
83.08618	3.2
85.02895	5.0
85.06526	0.5
85.10143	0.5
91.03954	2.6
91.05456	7.4
92.41930	0.4
93.07018	6.9
95.01324	0.6
95.04981	2.7
95.08585	5.5
97.02871	5.1
97.06516	1.0
97.10159	3.8
98.10532	0.5
99.04449	1.0
101.02384	2.0
105.07011	6.9
105.07562	0.5
107.04975	2.0
107.08581	4.5
109.06522	0.6
109.10155	2.6
111.08044	0.6
113.09666	0.5
117.07007	3.3
119.08558	3.7
121.10153	1.8
125.09582	3.4
126.09924	0.5
127.03899	1.0
131.08592	2.4
133.10147	3.4
135.11687	2.5
145.10188	0.9
147.11708	1.1
159.11679	0.7
184.07321	0.9
189.11235	2.8
227.12775	4.3
228.13208	0.7
233.14262	0.6
243.08360	4.2
245.13780	3.8
275.20166	0.6
313.27182	4.2
315.19220	4.9
333.20486	2.2
362.80853	0.6
371.22021	0.9
439.19476	2.2
453.21014	0.8
483.36728	3.8
484.37238	2.8
533.27087	8.3
551.27966	9.2
553.49091	0.6
631.48267	0.5
842.49121	0.6
843.48486	100.0
844.48553	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	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.7
59.94115	0.7
61.02906	3.8
65.03925	0.8
67.05492	100.0
69.03414	4.1
69.06711	1.2
69.07056	23.9
71.04964	3.7
71.08617	3.3
73.02891	0.9
79.05473	53.6
81.03401	3.4
81.07039	81.3
83.04949	6.0
83.08602	17.1
85.02888	4.6
85.06531	3.5
86.39885	0.7
91.03927	1.4
91.05463	34.5
91.07359	0.7
93.07022	62.0
95.04937	10.4
95.08582	49.2
97.02884	1.7
97.06516	8.1
97.10150	11.4
99.08049	1.7
105.07008	29.6
107.04937	3.9
107.08576	37.4
107.09292	1.4
108.08965	0.9
109.06510	3.4
109.10136	42.1
111.08047	5.0
113.09598	0.8
117.06982	11.1
119.08559	22.6
121.06451	1.6
121.10126	22.3
123.08030	1.8
123.11680	7.7
125.09608	9.5
126.78941	0.7
129.06984	4.6
130.07663	0.8
130.85741	0.8
131.08546	18.4
133.10095	18.7
135.08025	2.8
135.11685	14.0
137.09625	3.5
141.06967	1.4
143.08507	3.1
145.10112	14.3
147.07988	0.7
147.11673	10.5
149.09602	4.4
149.13205	10.7
151.11124	2.7
155.08560	1.6
155.10638	1.2
157.10106	4.0
159.11658	9.4
161.13205	4.0
163.11162	1.7
163.14812	1.5
169.10133	2.4
171.11679	3.3
173.11697	6.1
173.13216	7.0
175.14856	1.2
177.12743	1.4
177.16319	1.1
183.11642	0.9
184.07320	1.2
185.13226	2.8
187.14746	1.7
189.11151	5.7
191.14314	1.2
197.13226	1.1
211.14780	1.0
223.81322	0.7
227.12726	10.1
229.14320	19.0
239.17911	1.1
243.21107	1.4
243.24907	0.8
245.13823	4.6
257.18826	2.8
259.20566	1.6
261.22083	7.6
267.15717	0.8
269.17346	8.7
275.19962	10.6
277.21582	1.0
293.21078	1.2
313.27258	5.3
331.22714	0.9
333.24344	1.7
335.25742	57.0
336.25894	1.2
349.23593	9.5
351.25464	1.3
351.44537	0.9
367.24765	5.9
460.51776	0.8
471.34705	1.0
483.36676	4.1
489.35617	20.4
505.34946	1.2
507.36499	1.4
526.28870	1.0
529.38818	25.4
609.44958	24.8
627.46094	15.7
656.53082	0.8
661.55499	0.7
842.46741	3.3
843.48413	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	842.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	88.3
69.07050	31.6
74.31624	5.3
74.62174	4.5
74.80205	5.4
79.05477	56.3
81.03397	7.4
81.07037	100.0
83.04928	6.6
83.08591	23.0
85.02884	7.4
91.05473	45.8
93.07022	61.3
95.04942	8.2
95.08588	54.0
97.06491	5.4
97.10148	20.9
105.06995	26.6
107.04955	8.8
107.08572	37.4
109.06477	10.6
109.10160	27.9
117.06966	7.3
119.08548	35.4
121.10110	9.7
123.08031	12.7
125.09611	28.3
133.10120	21.9
137.09598	5.4
145.10100	11.6
147.08023	7.3
163.11186	20.4
173.09563	7.0
227.12769	7.7
252.85280	6.9
273.18396	11.7
291.19495	41.8
337.27237	86.7
347.21762	5.5
365.23114	31.6
383.24121	10.4
627.45752	56.2
645.47095	52.9
739.51080	6.0
842.45416	63.0
843.47156	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	842.562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.0
60.11018	0.6
61.02911	2.8
65.03925	3.7
66.93107	0.6
67.05495	100.0
69.03416	3.8
69.07056	30.3
71.04979	5.3
73.02932	1.1
79.05475	59.9
81.03397	4.6
81.07041	85.7
83.04964	5.8
83.08604	14.2
85.02889	1.8
85.06543	1.5
86.09686	0.8
91.03943	0.8
91.05460	41.7
92.65013	0.8
93.07024	63.7
95.04956	10.5
95.08585	49.6
96.08893	1.3
97.02858	1.7
97.06508	7.0
97.10151	7.5
99.08076	1.2
99.74088	0.8
103.05461	1.1
105.07015	35.3
107.04929	5.3
107.08577	41.3
109.06507	6.2
109.10143	40.2
111.08068	4.9
117.07007	15.0
119.08570	25.9
121.06470	1.4
121.10120	25.8
123.08035	3.4
123.11642	5.8
125.09607	4.3
129.06975	4.3
131.08548	20.0
132.63382	0.9
133.10121	20.2
135.08043	3.5
135.11690	15.5
137.09583	3.6
137.13272	1.5
141.06975	1.5
143.08572	4.0
145.10117	16.7
147.07957	0.8
147.11668	11.7
149.09615	5.7
149.13248	10.3
151.11176	1.8
155.08536	1.1
155.10649	1.1
157.10135	4.4
159.11665	11.3
161.13261	7.3
163.11140	3.6
163.14738	1.8
165.12758	1.6
169.10138	1.2
171.11694	3.4
173.11710	6.2
173.13235	7.0
175.14821	1.6
177.12669	1.3
183.11639	1.5
184.07310	3.5
185.13268	1.6
187.14740	1.5
189.16255	0.8
195.13795	1.2
197.13162	0.9
211.14886	0.9
227.12784	6.0
229.14323	16.9
239.18005	1.1
243.20967	3.0
247.20596	1.2
257.18906	3.6
259.20529	1.6
261.21997	7.4
269.17432	11.9
275.19998	15.6
291.19485	0.9
293.21002	1.7
317.24683	1.3
331.22281	1.0
333.24316	1.2
335.25763	62.0
336.25943	1.0
349.23679	11.8
367.24701	10.0
489.35657	18.6
507.36923	3.0
527.37097	5.3
529.31195	1.5
529.38782	32.9
609.45233	22.5
627.46075	17.3
633.39142	0.8
634.06213	0.9
842.46674	4.2
843.48499	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	841.4711
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02925	4.6
67.05490	13.8
69.03414	2.3
69.07063	6.1
73.02897	6.4
78.38675	0.8
79.05476	13.2
79.05835	0.9
81.03413	4.9
81.07040	14.8
83.04942	0.8
83.08608	2.3
85.02906	5.2
91.05470	12.1
91.05959	1.1
92.08656	3.2
93.07018	10.4
95.04974	1.9
95.08602	10.0
97.02904	6.2
97.06522	1.3
97.10123	1.0
105.07018	10.1
107.04962	2.3
107.08599	7.0
109.06517	1.8
109.10174	4.1
109.69342	1.1
110.97564	1.0
111.08125	1.1
117.07050	3.5
119.08545	6.5
121.10161	4.0
129.06941	1.4
131.08598	1.8
133.10182	6.4
135.08069	1.0
135.11842	1.0
145.10202	3.6
147.11742	0.9
149.09607	1.4
151.11179	1.4
163.11171	1.4
189.12761	1.0
193.12364	1.5
222.83203	1.0
229.64992	0.9
243.08530	4.7
275.20230	1.3
280.49695	1.0
306.47067	1.0
315.19305	4.0
331.19012	1.2
335.25986	2.1
336.26135	1.0
371.21945	1.3
381.89279	0.9
531.25244	1.9
533.27386	8.6
533.78821	1.2
533.86774	1.0
549.26776	4.8
626.45282	1.4
743.40082	2.2
823.45776	7.7
832.81494	1.3
841.47040	100.0
842.47516	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	841.4701
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02923	4.0
62.88131	0.7
67.05496	15.6
68.05796	0.9
69.03430	2.0
69.07047	8.5
71.08619	3.6
73.02908	4.3
79.05042	1.2
79.05473	11.9
81.03417	4.2
81.07037	17.4
83.04951	1.1
83.08617	2.0
85.02899	3.3
85.18122	0.7
91.03943	1.6
91.05462	13.1
92.05826	1.0
93.07027	12.2
95.01321	1.1
95.04972	3.6
95.08597	10.4
97.02892	4.1
97.06541	2.0
97.10194	1.3
99.08115	1.5
105.07012	11.3
107.04917	3.0
107.08580	8.6
109.02124	0.9
109.10173	4.0
111.77654	0.9
117.07038	3.9
119.08575	5.6
121.06506	1.1
121.10143	5.3
129.07004	1.1
131.08556	7.0
133.10152	5.2
135.11693	3.9
140.09984	0.8
143.08580	1.1
145.10172	1.1
147.11731	1.4
149.13318	1.3
151.11180	1.6
151.30760	0.8
157.10182	1.1
159.11739	1.1
161.13242	0.9
179.14372	5.0
218.83560	1.0
223.13329	1.7
243.08479	3.9
250.29314	0.8
275.20029	1.9
277.21786	1.3
291.19458	1.2
293.21243	1.1
315.19458	4.1
335.25912	2.0
344.69189	0.9
349.23825	1.3
351.25153	1.3
371.21866	1.2
533.27252	10.6
545.38324	3.6
546.38739	4.1
548.84045	1.2
549.26691	2.0
594.75067	1.0
625.44415	1.7
626.45410	2.0
633.32019	0.9
818.46014	1.1
841.46875	100.0
842.46881	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	2.3
65.03926	2.3
67.05494	89.7
69.03410	8.4
69.07056	45.6
71.04975	5.8
72.27183	1.1
73.02898	2.1
79.05475	77.3
81.03416	11.1
81.03821	1.2
81.07039	100.0
83.04984	11.0
83.08601	16.0
85.02895	5.1
85.06506	2.8
87.22501	1.1
91.05463	87.2
93.07023	96.7
95.04956	19.2
95.08582	55.8
96.39728	1.2
97.02863	5.5
97.06510	13.6
97.10136	6.6
99.08073	2.8
102.18870	1.2
103.05482	2.2
105.04498	2.0
105.07012	95.0
107.04932	7.7
107.08588	53.6
109.06513	9.0
109.10142	20.4
111.08092	6.5
115.05426	3.1
117.06999	32.6
119.08560	63.5
121.06528	2.4
121.10132	27.1
123.08043	2.9
123.11684	6.0
125.09657	1.9
127.03980	1.6
128.06209	6.0
129.06970	21.6
131.08548	49.4
133.06500	3.1
133.10106	53.8
135.08037	7.7
135.11676	22.9
137.09628	2.6
141.06970	4.9
142.07771	2.5
143.08531	23.9
143.09592	1.5
145.06442	2.4
145.10106	32.5
147.08040	2.7
147.11658	29.1
149.09621	6.7
149.13263	12.5
151.11154	1.3
155.08502	11.8
157.10144	22.8
159.11653	30.8
161.09494	2.0
161.13245	15.6
163.11168	8.7
163.14737	2.0
165.12723	1.3
167.08539	2.0
169.10112	9.5
171.08046	1.7
171.11667	17.7
173.13193	12.8
175.14757	5.6
177.12769	2.1
181.10063	5.8
183.11618	9.6
185.13223	14.4
187.14780	2.8
189.12753	2.0
193.10159	1.6
195.11665	7.0
195.13737	2.4
197.13222	7.1
199.11340	1.4
199.14828	7.3
209.13206	6.4
211.14804	4.5
217.19592	1.3
221.13223	1.7
223.14830	2.4
225.16324	2.4
231.21031	2.7
237.16460	1.7
241.19572	9.8
253.14182	1.7
255.15956	6.2
257.19040	2.2
259.20514	32.7
261.22098	2.2
267.15701	1.6
269.17316	14.9
273.18393	1.3
275.20087	11.1
276.20233	1.9
301.21350	1.4
333.24194	31.4
335.26016	1.7
349.23880	9.8
367.24805	5.2
435.32233	6.1
453.33533	2.0
471.34750	2.1
489.34970	1.5
513.35724	16.8
527.29578	2.4
527.37250	50.7
533.39899	2.0
545.38281	8.1
607.43433	17.1
625.44397	16.4
689.41443	2.1
771.57355	1.4
841.45667	2.9
869.08148	1.3
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
61.02914	1.8
65.03941	1.5
67.05496	87.4
69.03409	9.3
69.07053	29.6
71.04967	2.2
79.05479	87.6
81.03402	12.7
81.07043	98.7
83.04985	14.0
83.08603	20.4
85.02901	8.1
85.06554	1.9
91.05467	100.0
92.08591	3.6
93.07031	90.5
95.04954	16.1
95.08601	58.3
97.02867	3.3
97.06513	11.5
97.10137	6.6
99.08071	1.9
103.05489	1.7
105.07018	89.2
107.04938	11.1
107.08591	47.0
109.06522	9.3
109.10149	19.2
111.08088	3.4
112.84312	1.5
115.05431	5.6
117.07006	33.5
119.08566	66.6
121.06457	3.6
121.10126	24.0
122.07655	1.5
123.11691	6.3
128.06204	6.4
129.05455	1.8
129.06963	22.8
131.08553	43.9
133.10112	48.9
135.08000	6.5
135.11670	18.8
137.09621	2.2
141.06952	6.2
142.07771	8.0
143.08565	21.5
145.06476	5.9
145.10114	36.9
147.08075	2.2
147.11662	32.6
149.09628	10.0
149.13283	13.4
155.08545	11.8
157.10100	16.4
159.08060	2.2
159.11685	22.0
161.09616	2.5
161.13243	15.3
163.11180	8.0
163.14842	2.4
167.08571	3.7
169.10127	13.7
171.11642	19.5
173.13220	12.6
175.11185	1.6
175.14824	7.8
177.12689	2.9
179.08539	2.7
181.10144	7.4
183.11620	11.6
185.13248	16.1
187.11063	1.8
187.14816	3.6
193.10042	3.3
195.11650	7.8
195.13631	1.6
197.13214	7.6
199.14801	6.8
201.16364	1.6
209.13235	6.4
211.14853	2.4
213.16464	2.5
221.13432	2.7
223.14816	5.5
225.16536	1.6
237.16457	2.1
241.19528	12.1
247.20569	1.8
251.17981	1.8
255.15659	10.7
257.18988	3.2
259.20523	29.2
269.17407	9.1
273.18317	1.8
275.20059	11.0
315.23193	2.2
316.89618	1.5
333.24127	21.3
335.25626	2.5
349.23807	9.6
367.24805	2.9
421.30933	1.9
435.32541	2.8
453.33243	2.1
471.34698	2.3
509.36206	2.7
513.35541	17.9
515.38318	5.0
525.35626	1.8
527.37207	43.6
531.36627	6.7
533.39087	2.6
545.37982	5.8
597.44873	2.0
607.43304	24.3
625.44446	20.8
769.49225	1.8
848.90753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.9
65.03922	2.6
67.05491	85.5
69.03406	9.2
69.06715	1.7
69.07056	36.2
71.01314	1.1
71.04968	6.2
73.02877	1.6
79.05473	86.8
80.16856	1.3
81.03403	8.4
81.07035	91.5
83.04956	11.8
83.08606	21.8
85.02895	2.3
85.06530	3.3
88.33869	1.4
91.05459	100.0
92.05847	1.7
93.07022	95.1
95.04948	27.2
95.08581	50.7
97.02850	5.7
97.06503	12.3
97.10155	11.1
99.08052	1.8
103.05400	2.5
105.04500	1.4
105.07014	96.0
107.04918	9.5
107.08578	54.6
109.06500	9.3
109.10148	21.5
111.04438	1.7
111.08057	6.2
115.05406	2.4
117.06997	38.8
117.07793	1.3
119.04977	1.4
119.08556	69.6
121.06479	7.3
121.10128	28.6
123.08006	7.7
123.11671	2.4
125.09557	6.4
128.06155	3.0
129.06982	19.4
130.07747	1.7
131.08534	44.2
133.06497	1.9
133.09178	2.4
133.10107	47.6
135.08040	8.3
135.11649	19.6
137.09608	2.9
141.06963	3.2
142.07745	3.0
143.08527	22.7
145.06485	2.0
145.10104	33.4
147.07957	1.9
147.11655	32.4
149.09612	12.1
149.13228	11.7
151.11192	2.3
153.07007	2.2
155.08495	11.7
157.10120	19.0
159.11652	21.5
161.09608	2.5
161.13205	17.0
163.11143	9.3
167.08514	2.0
169.10097	10.2
171.11644	17.0
173.13261	9.9
175.11179	2.4
175.14833	3.4
177.12868	1.5
181.10100	7.0
183.11586	10.0
185.13200	11.5
187.11163	1.5
187.14766	5.1
189.11145	2.2
189.12712	2.9
191.14288	1.8
195.11655	1.9
197.13211	9.3
199.14813	3.0
201.16307	1.4
207.11607	2.1
209.13277	5.1
211.14751	2.0
213.16376	2.5
221.13242	2.4
225.16312	1.9
231.21048	1.8
239.18004	5.9
241.19420	12.0
255.15778	6.8
257.18921	6.0
259.20511	30.1
269.17410	8.0
275.20010	23.0
276.20151	2.1
293.21008	2.2
311.23312	1.5
315.23080	2.9
333.24158	29.6
349.23572	9.1
362.98419	1.6
367.24628	6.2
435.32025	2.3
513.35504	7.5
515.38129	2.0
527.37238	14.6
533.39636	2.2
545.38000	2.8
551.41046	1.6
607.43439	16.3
625.44354	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	1.3
61.02906	2.1
61.14587	1.2
64.74182	1.1
65.03922	5.4
67.05494	78.8
69.03400	6.9
69.07056	28.7
71.04975	3.1
71.08615	1.3
75.63630	1.2
79.05003	1.5
79.05474	75.7
81.03389	11.6
81.07039	100.0
83.04962	14.7
83.08610	18.8
85.02879	6.8
85.06531	1.7
91.05460	46.7
93.07024	71.6
95.04953	23.0
95.08584	52.6
97.02915	1.5
97.06493	10.0
97.10149	23.7
99.08086	2.5
105.07014	36.5
107.04928	12.2
107.08582	38.5
109.06504	12.0
109.10150	21.1
111.04423	16.7
111.08044	6.6
112.85044	1.2
117.06989	18.1
119.04965	1.3
119.08546	31.2
121.06487	8.3
121.10110	23.8
123.08073	21.7
123.11681	4.9
125.09608	23.2
129.06961	10.0
131.08565	23.5
133.06480	2.9
133.10135	18.0
135.08029	7.4
135.11671	17.4
137.09615	5.5
143.08545	7.2
145.06569	1.5
145.10089	22.4
147.08025	8.5
147.11664	9.1
149.09607	8.3
149.13261	5.3
153.09068	2.4
153.12717	7.8
155.08554	2.0
157.10129	3.1
159.08018	1.3
159.11627	9.8
161.09569	7.5
161.13226	2.7
163.11156	15.8
165.09067	1.4
165.12741	1.4
169.10098	2.4
171.11642	5.1
173.09595	2.6
173.13235	4.9
175.11176	5.2
181.12239	3.1
185.13231	2.1
187.14760	1.4
189.11119	9.6
191.10603	2.7
223.13300	2.3
227.12708	10.3
245.18999	6.5
255.17265	1.8
255.94380	1.4
261.22073	6.0
273.18491	24.9
283.15289	2.2
291.19501	42.2
309.20605	6.6
335.25742	83.8
336.25757	1.9
347.22037	3.1
365.23184	24.8
383.24164	13.8
424.30807	1.6
505.34674	1.6
607.43127	6.9
625.44537	48.9
626.44623	2.5
643.45544	50.6
644.46039	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.7
61.02908	1.5
61.25704	1.3
65.03944	1.7
65.44666	1.5
67.05498	83.1
69.03420	8.8
69.07055	24.9
71.04976	7.2
71.46138	1.8
79.05475	95.5
81.03407	2.5
81.07039	73.2
83.04973	7.0
83.08605	29.6
84.84842	1.5
85.02877	3.2
85.06530	3.3
91.05463	75.9
92.61101	1.6
93.07027	72.7
95.04964	11.1
95.08588	39.3
97.02887	2.1
97.06519	5.7
97.10146	44.8
101.09604	1.5
105.07018	83.2
107.04922	5.5
107.08582	78.7
108.60332	1.4
109.06501	7.6
109.10155	29.3
111.08063	3.5
115.05473	1.9
117.07004	31.1
119.08566	57.0
121.10133	21.8
123.08063	2.8
123.11689	12.9
125.09593	34.6
128.06206	3.6
129.06996	22.5
130.07762	2.4
131.08545	37.4
133.10110	44.9
135.08067	8.9
135.11671	13.6
140.53262	1.7
141.07008	7.3
142.07739	3.5
143.08545	25.8
145.10109	33.3
147.08078	1.5
147.11665	29.5
149.09583	9.5
149.13274	3.0
153.06961	1.8
153.09062	2.0
154.07777	2.0
155.08557	13.0
156.09309	2.2
157.10110	21.6
159.11659	23.3
161.13225	10.6
163.11165	2.8
167.08432	5.4
168.09288	1.3
169.10115	18.3
171.10245	2.7
171.11638	22.4
173.13188	10.5
175.14764	2.4
181.10092	10.6
183.11691	18.6
184.07330	2.3
185.13222	10.4
187.13240	2.0
187.14816	5.9
189.11224	16.1
193.10202	2.8
195.11678	8.7
197.13235	16.5
199.14841	12.4
201.16426	3.2
207.11745	2.2
209.13269	3.1
211.14818	11.6
213.16454	6.3
223.14856	3.6
225.16306	3.1
227.12720	26.5
237.16350	2.5
239.17947	6.3
241.19496	7.1
243.15790	3.6
253.19490	1.7
257.18991	7.1
259.20551	12.2
275.20151	13.8
313.21521	1.7
315.23306	2.9
333.24265	11.7
349.23685	12.2
365.28488	8.2
383.29596	2.2
421.30453	2.3
439.32123	2.7
503.33307	1.9
515.38611	7.0
533.39795	9.7
583.36438	1.8
589.42407	1.9
607.43420	57.3
608.43512	2.0
625.44537	100.0
626.44678	6.9
647.38147	2.0
771.95685	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.8
65.03928	1.6
67.05493	70.2
68.96312	0.8
69.03413	5.1
69.07062	27.7
70.07382	1.1
71.04978	4.5
71.08592	1.1
73.02930	1.0
78.36326	1.0
79.05479	76.1
80.05814	1.1
81.03408	12.1
81.07041	100.0
82.07357	2.3
83.04966	18.4
83.08606	20.8
85.02874	5.3
85.06517	1.6
88.74102	0.9
91.05465	48.7
92.05790	2.0
92.09367	2.4
93.07028	65.7
94.07353	1.7
95.04960	22.0
95.08589	48.8
95.09202	1.9
97.02861	2.1
97.06510	11.8
97.09599	1.6
97.10158	27.8
99.04438	1.5
99.08072	2.1
102.63980	0.9
105.04474	1.3
105.07023	44.1
106.07348	1.5
107.04928	11.3
107.08580	37.5
109.06511	8.1
109.10136	17.7
111.04422	14.5
111.08050	8.6
115.05504	1.3
117.07008	17.6
119.08575	33.0
120.08926	1.6
121.06487	8.8
121.10124	27.6
123.04353	1.3
123.08051	24.8
123.11710	2.2
125.09615	21.7
128.06198	1.4
129.06979	6.2
130.07745	1.2
131.08554	23.5
131.24696	0.9
133.06499	3.8
133.10106	18.7
134.10406	3.8
135.08032	6.6
135.11659	15.6
137.09589	7.9
139.11122	1.3
142.07780	1.9
143.08585	5.7
145.06433	1.7
145.10106	20.6
145.11194	1.1
147.08051	9.9
147.11681	10.3
149.09619	9.0
149.13263	4.4
151.11201	1.3
153.09097	4.0
153.12712	5.5
155.08568	2.0
157.10109	7.5
159.08025	1.8
159.11629	8.3
161.09599	8.5
161.13226	2.2
163.11179	16.6
163.14848	1.2
165.09102	3.9
171.11696	4.6
173.09566	3.6
173.13246	4.4
175.11128	5.1
175.14799	1.1
179.14270	1.3
181.12122	6.9
185.13216	3.6
187.11192	1.6
187.14883	1.2
189.11241	12.4
189.12814	1.6
191.10661	5.6
193.12239	4.8
223.13263	2.1
227.12785	14.4
237.16364	1.4
245.19011	1.4
255.17358	1.8
261.22076	4.3
273.18472	23.3
275.20004	4.2
276.20404	1.7
283.15317	1.5
287.84174	1.0
291.19495	51.3
309.20438	8.5
317.24664	1.7
329.15533	1.0
333.24197	1.0
335.25748	55.1
336.26050	3.8
347.22101	3.8
349.23734	1.4
365.23190	27.2
383.24243	17.5
406.66986	1.0
533.39459	1.2
544.36639	1.3
607.43140	5.3
608.44147	1.6
609.43781	2.3
625.44611	37.1
643.45514	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03403	6.1
69.07058	45.7
71.04975	9.4
71.08606	6.7
72.10328	5.1
79.05476	75.6
81.03406	8.7
81.07044	85.9
82.23507	4.8
83.08594	10.9
85.02895	7.2
91.05461	63.6
92.08682	22.8
93.07028	89.8
95.08590	57.9
97.06499	6.4
102.07330	5.3
105.07012	37.4
107.08564	34.1
109.06542	7.2
109.10125	24.4
111.03005	5.4
117.07003	6.6
119.08571	23.1
121.10094	23.9
131.08539	22.7
133.10091	25.4
135.11667	8.8
137.34514	5.4
145.10069	12.5
147.11687	8.8
149.13301	6.8
159.11711	8.1
166.99690	5.9
184.07338	10.6
190.18016	6.8
275.19870	6.4
313.27280	31.9
335.25745	48.8
339.28876	8.5
349.23654	23.6
443.45364	6.3
515.37494	8.6
529.38513	51.5
577.51660	11.3
609.45081	30.0
838.52014	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48607	0.7
61.02907	6.0
65.03928	4.4
67.05492	93.6
69.03419	9.8
69.07053	38.8
71.04967	5.0
71.08611	1.1
73.02901	3.8
73.94151	0.9
77.03902	1.3
79.05476	95.0
81.03406	9.4
81.07038	88.2
83.04971	9.8
83.08598	16.2
85.02892	7.8
85.06512	2.2
88.39233	0.8
88.93813	0.8
91.05462	100.0
93.07023	90.9
95.04948	19.4
95.08582	61.6
97.02853	6.9
97.06522	9.6
97.10155	6.8
97.89459	0.9
99.04439	1.1
99.08057	1.7
103.05449	3.6
104.06208	1.3
105.04473	1.6
105.07016	98.3
107.04938	6.0
107.08575	49.2
107.56644	1.0
109.05888	0.9
109.06496	7.2
109.10145	27.2
111.08075	5.4
115.05453	6.9
116.06224	1.7
117.07002	47.2
119.08559	73.5
121.06476	4.1
121.10115	29.0
123.08054	5.0
123.11674	5.8
125.09585	4.7
128.06201	6.7
128.51422	0.9
129.05502	2.2
129.06967	33.3
130.07762	4.2
131.08540	55.6
133.06451	2.3
133.10110	43.3
135.08015	4.5
135.11670	17.5
137.09601	4.1
137.13251	1.1
141.06973	9.0
142.07770	6.3
143.08536	32.2
144.09290	1.2
145.06491	2.2
145.10100	43.8
147.08023	3.5
147.11661	25.6
149.09586	8.3
149.13234	11.0
151.11273	1.2
153.06966	1.8
154.07794	2.3
155.08549	17.8
156.09325	4.3
157.10103	22.9
159.08046	1.5
159.11661	31.7
161.09605	2.2
161.13199	13.3
163.11188	5.6
163.14883	1.1
165.06958	1.4
167.08516	7.0
168.09306	1.8
169.10081	18.0
171.11658	22.5
173.09563	1.3
173.13228	14.9
175.11098	1.5
175.14845	4.9
177.12714	1.7
179.08493	3.8
179.14348	1.3
181.10042	8.9
182.10905	0.9
183.11661	15.7
184.07423	0.9
185.13199	19.1
187.14771	6.6
189.12747	1.7
189.16409	1.2
193.10130	1.8
194.10912	1.4
195.11713	10.3
197.13237	11.5
199.11110	1.0
199.14769	9.4
201.12802	1.4
201.16434	3.7
203.14311	1.0
207.11682	4.4
209.13268	8.1
211.14769	7.8
213.16472	5.2
215.17876	1.4
219.11729	1.1
221.13254	1.7
223.14844	3.9
223.70892	1.0
225.16347	3.8
227.12706	1.7
229.14369	1.9
231.21036	1.2
235.14780	1.2
237.16391	4.4
239.17909	4.9
241.19539	7.4
251.17923	1.3
257.18912	5.7
259.20547	18.7
261.22095	1.5
261.52188	0.9
269.17453	4.0
271.20499	1.3
273.18521	1.5
275.20032	5.8
285.21933	1.1
291.19553	5.0
293.20935	0.9
297.22101	1.7
299.35626	1.0
315.23056	2.3
321.22101	1.2
323.23938	1.0
324.24738	1.1
333.24301	13.1
335.25754	5.6
349.23926	4.0
351.26233	1.0
365.23334	2.3
417.31168	1.2
421.30759	1.1
423.32596	1.2
435.32407	1.7
445.10254	1.1
447.32205	1.0
453.33929	1.4
471.34177	1.5
487.34167	1.9
501.35358	1.5
507.71313	1.0
509.36600	1.2
513.35632	4.6
515.37708	1.3
517.40753	3.0
527.37146	14.6
533.40100	1.1
539.36707	1.1
545.38263	1.6
591.43738	4.5
607.43390	6.5
609.45056	35.2
610.45630	3.5
625.44421	11.9
643.45172	1.2
643.70715	1.1
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
61.02927	3.2
65.03918	2.5
65.75748	1.4
66.14783	1.5
67.05495	86.4
67.24395	1.2
69.03419	3.1
69.07056	40.1
71.04980	5.6
71.08622	6.6
76.10019	1.3
79.05477	77.5
81.03403	11.6
81.07043	100.0
83.04967	11.8
83.08601	22.3
83.91179	1.8
85.02937	1.9
85.06549	2.6
85.10191	2.1
91.05462	51.7
92.09350	6.4
93.07027	73.4
94.97346	1.3
95.04951	17.5
95.08590	59.4
97.02896	5.8
97.06503	14.0
97.10152	19.4
99.00800	3.0
99.08046	2.3
105.07020	42.2
107.04964	12.6
107.08586	44.2
109.02867	9.1
109.06507	7.9
109.10145	25.7
111.04447	6.2
111.08082	3.5
115.05386	1.8
117.07005	15.1
119.08564	28.2
121.06484	7.6
121.10122	25.9
123.04425	1.5
123.08036	6.1
123.11708	7.7
125.09618	9.0
128.06256	1.8
129.07001	2.9
131.08560	20.0
133.06508	2.0
133.10109	26.6
135.08076	13.2
135.11681	14.3
137.09601	6.0
143.08569	7.9
145.06494	3.1
145.10130	16.8
147.08038	3.2
147.11719	6.4
149.09581	3.3
149.13223	2.7
151.11160	3.6
153.12720	1.9
157.10101	3.6
159.08099	5.9
159.11681	8.1
161.09630	3.4
161.13242	2.7
163.07516	5.5
163.11128	2.5
173.13239	2.9
175.11125	2.1
179.10611	2.3
184.07401	2.8
187.02141	1.5
187.11180	1.5
189.11189	2.4
193.12195	11.6
194.50450	1.4
219.97017	1.4
227.12746	2.9
243.17413	1.9
243.21132	1.8
247.71313	1.5
261.18317	1.8
261.22073	10.3
271.17068	5.6
273.18695	1.9
275.20078	2.1
277.21777	2.0
283.15240	2.7
289.17950	19.9
291.19437	2.0
307.18927	3.2
313.27228	3.1
335.25754	93.0
339.28604	2.2
345.62119	1.6
363.21600	3.3
381.05176	1.7
381.22635	57.4
543.37036	2.7
623.43280	13.9
641.44067	72.1
750.03607	1.8
785.32959	1.8
820.22137	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04599	2.9
60.55420	3.4
67.05489	89.8
69.03417	5.5
69.07051	38.5
71.04976	6.6
75.91234	3.2
79.05481	72.0
81.03393	17.0
81.07042	100.0
83.04973	52.1
83.08619	22.5
85.02887	3.5
85.06528	3.8
86.09708	4.1
87.04431	3.7
91.05464	61.9
92.33101	2.8
93.07020	81.1
95.04953	21.3
95.08593	62.0
97.06499	7.5
97.10155	16.0
100.95569	2.9
105.07030	46.4
107.04945	21.4
107.08564	48.6
109.06510	13.3
109.10155	27.9
111.04455	7.2
117.06995	29.4
119.08588	42.2
121.06552	3.9
121.10089	33.2
123.08028	7.7
123.11670	5.6
125.09612	4.2
129.06992	12.8
131.08527	23.8
133.10115	25.0
134.77754	3.2
135.08047	19.2
135.11687	21.9
137.09552	4.5
143.08553	3.9
145.06488	6.7
145.10109	26.9
147.08156	9.9
147.11696	18.4
149.09549	3.9
149.13248	4.2
152.69591	4.1
153.12708	4.4
159.08031	12.5
159.11653	10.9
161.13240	3.8
163.11157	18.6
173.09633	3.2
173.13187	4.1
178.67940	3.3
184.07336	11.1
185.13196	3.6
193.12186	3.9
227.12808	4.0
261.22110	4.7
283.15308	20.1
283.18188	3.7
289.17999	27.5
335.25714	87.8
363.21503	15.9
381.22568	5.9
432.81485	3.6
454.62183	3.7
513.28607	3.7
525.35449	4.1
543.36639	37.5
623.42896	55.7
641.44012	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	1.6
61.02909	1.1
65.03926	4.3
67.05495	75.9
69.03416	4.4
69.07056	23.3
71.04975	5.6
71.42558	0.7
77.03912	0.9
78.43542	0.6
79.05476	68.8
80.24402	0.6
81.03397	7.5
81.07040	75.1
83.04964	11.2
83.08611	10.5
85.02901	3.1
85.06519	6.0
86.09687	6.7
87.04458	1.3
91.05462	100.0
92.05833	1.3
93.07023	67.1
95.04945	13.6
95.07999	1.4
95.08584	32.8
97.02881	1.2
97.06512	8.4
97.10144	3.8
99.04443	1.0
99.08065	1.1
103.05437	3.4
105.07015	99.1
107.04954	7.8
107.08578	47.8
109.02837	1.3
109.06508	10.0
109.10144	45.7
110.88982	0.6
111.04472	1.1
111.08065	2.6
112.05607	0.7
113.05968	1.4
115.05479	3.3
116.06207	0.9
117.06990	20.8
117.21572	0.7
119.04961	0.8
119.08562	52.6
121.06481	7.2
121.10133	16.8
123.08048	5.0
123.11690	8.4
124.99994	4.7
125.09597	3.5
127.07558	1.5
128.06221	5.9
129.06989	13.1
131.08539	33.2
133.06438	3.6
133.10110	80.8
135.08008	7.2
135.11679	13.0
137.09584	4.0
141.06975	1.7
142.07776	1.5
143.08522	14.1
145.06451	1.5
145.10109	21.1
147.08026	4.4
147.10580	1.5
147.11676	24.2
149.09583	4.8
149.13254	4.3
151.07594	0.8
151.11166	18.1
155.08548	5.1
157.06538	0.8
157.10106	9.7
159.08066	1.3
159.11676	14.6
161.09583	6.1
161.13235	11.4
163.11148	3.5
163.14778	1.1
167.08524	1.3
169.10074	5.7
169.12202	1.1
171.11656	12.1
173.09564	1.2
173.13187	5.4
175.11162	1.3
175.14824	4.2
179.10645	0.9
181.10129	1.6
183.11673	4.1
184.07286	10.8
185.13245	6.8
187.11127	1.0
187.14806	3.1
189.12732	1.3
195.11691	1.5
197.13249	3.1
199.11230	0.8
199.14795	4.0
209.13249	1.7
211.11195	0.9
211.14804	1.4
213.16365	1.6
214.78052	0.8
215.12729	1.3
231.21138	2.7
235.14708	0.8
241.19507	8.5
245.18872	1.1
246.54970	0.8
253.14285	31.4
257.19070	1.0
259.20517	28.3
263.20087	1.3
271.15155	1.3
273.18454	8.0
275.19843	0.7
289.17911	3.0
291.19485	11.9
311.20090	1.3
315.23145	3.4
333.24210	28.3
335.25757	0.9
347.22314	1.4
353.28555	1.0
365.23154	15.3
384.22061	1.0
409.31467	1.2
455.31540	1.6
501.35733	1.2
511.34079	10.5
513.36591	1.2
529.35168	15.8
531.38202	1.5
549.38855	1.6
582.85840	0.8
605.42297	6.5
622.58411	0.9
623.42926	33.0
641.43988	5.2
802.53638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	4.1
67.05490	100.0
67.34107	2.4
68.05814	2.6
69.03413	4.0
69.07057	45.6
71.04968	5.7
79.05055	4.4
79.05475	83.6
81.03391	17.5
81.07037	99.2
83.01317	4.3
83.04974	20.7
83.08610	34.4
85.02901	3.0
85.10165	2.4
87.04402	2.7
91.05463	81.9
92.05773	5.3
92.08650	9.1
93.07020	95.6
94.07325	4.0
95.04951	25.5
95.08590	70.3
97.02888	3.6
97.06499	21.6
97.10123	14.6
104.63766	2.6
105.07014	75.9
106.07391	4.0
107.04958	22.7
107.08586	57.8
109.06485	13.7
109.10149	28.6
111.04406	3.8
111.08057	5.3
114.13087	2.4
117.06994	25.9
119.08561	55.7
121.06466	11.2
121.10133	29.6
123.08044	4.9
123.11649	3.8
125.09637	5.6
129.06947	4.4
131.08542	34.5
133.06479	3.0
133.10091	42.9
134.10551	3.9
135.08055	9.3
135.11649	25.1
137.09586	3.6
143.08536	9.9
145.06564	2.9
145.10077	38.9
147.11626	13.9
149.09583	14.5
149.13237	4.4
153.12735	3.4
155.08478	3.8
157.10083	9.4
159.07956	5.3
159.11649	14.9
161.09662	4.0
161.13196	4.1
163.11136	27.1
169.10048	4.9
171.11688	3.1
173.09560	2.9
173.13261	5.2
179.14238	3.1
181.12154	3.7
189.11307	3.2
209.11774	4.4
227.12727	12.1
234.34177	3.1
259.20514	3.5
261.22116	5.3
275.19974	26.9
276.20264	9.3
283.15448	22.4
289.17825	11.9
291.19522	10.7
292.19717	12.2
307.18973	3.6
335.25684	85.0
349.23605	12.2
350.24130	6.0
351.24423	3.6
365.22974	5.3
381.22675	18.4
433.30377	2.8
543.36755	61.7
623.43011	22.0
639.41937	6.1
640.43042	23.5
640.52527	2.7
641.43732	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92977	2.0
66.63042	2.0
67.05495	77.8
67.65716	2.0
68.89110	2.3
69.03401	4.6
69.07056	47.2
73.06565	2.1
73.31286	2.3
77.41108	2.5
79.05479	79.1
81.03395	12.1
81.07038	75.7
83.04972	10.9
83.08612	21.4
83.09023	2.4
85.06516	3.4
86.09726	7.6
91.05460	69.9
91.50157	2.3
93.07018	68.4
95.04938	17.2
95.08588	46.8
97.02869	11.3
97.06512	9.6
97.10129	17.6
105.07011	76.4
107.04937	15.5
107.08577	40.6
109.06469	4.7
109.10145	19.2
111.08044	5.4
112.55743	2.2
116.06239	3.5
117.06991	26.3
119.08556	53.6
121.06535	3.2
121.10104	19.6
122.08266	2.4
123.04539	2.5
123.08056	11.0
123.11674	2.8
124.99973	3.7
125.09612	15.0
129.06969	20.7
130.07762	3.0
131.08537	38.3
133.06471	3.5
133.10120	37.5
135.08002	9.0
135.11684	10.5
137.09602	3.7
141.06947	3.6
142.07758	3.7
143.08527	14.1
145.10088	26.8
147.08046	10.7
147.11679	29.3
149.13208	9.4
151.11176	2.5
155.08546	4.0
157.10114	18.1
159.11668	14.2
161.09584	4.5
161.13281	16.6
163.11186	3.5
163.14711	2.3
169.10025	4.3
171.11676	12.2
173.13210	3.7
173.74825	2.3
175.14737	2.9
183.11667	5.5
184.07329	15.0
185.13220	8.5
189.11186	4.6
195.11630	3.3
197.13297	3.4
199.14908	8.5
213.16356	2.6
223.13197	24.9
227.12759	9.4
232.12674	2.7
233.98367	2.7
239.17778	2.6
241.19470	10.7
259.20599	21.5
265.19290	2.5
273.18475	10.1
275.20111	3.3
291.19519	100.0
313.27353	3.4
315.23145	2.7
333.24078	26.6
365.23172	26.9
373.14087	2.6
379.29968	2.6
529.35266	2.8
534.64386	2.8
543.36273	12.3
605.41449	4.8
623.43018	55.9
641.44000	25.1
783.45203	2.9
802.53149	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62786	0.8
61.02903	1.0
62.09712	0.8
64.01009	0.8
64.34026	0.8
65.03918	2.2
67.05493	61.2
69.03422	5.0
69.07055	42.6
69.42336	0.9
69.55466	0.8
71.04969	5.0
73.06537	0.9
79.05478	58.9
81.03403	14.3
81.07041	80.1
83.04967	12.8
83.08597	13.9
85.02882	2.2
85.06538	2.2
91.05465	74.8
92.09238	0.9
93.07027	61.1
95.01314	8.7
95.04946	18.6
95.08585	47.5
97.02924	1.6
97.06516	29.7
97.10142	7.9
99.08089	1.5
102.91806	0.9
103.05468	1.7
103.66280	0.9
105.04514	1.0
105.07017	89.3
107.04940	22.0
107.08588	37.3
108.29991	1.0
109.02900	1.0
109.06519	8.9
109.10139	14.2
111.04421	1.4
111.08072	6.0
115.14461	0.9
117.07001	26.3
119.07709	1.7
119.08561	48.0
121.06502	7.6
121.10126	16.4
123.04417	2.3
123.08041	5.3
123.11694	4.6
125.09627	6.0
128.06241	1.1
129.06979	5.4
131.08546	27.8
133.06506	1.8
133.10109	49.3
135.04401	1.0
135.08043	7.5
135.11685	14.6
137.09618	2.0
139.07507	1.6
139.11212	1.0
141.07005	1.9
142.07774	1.9
143.08554	8.2
145.10101	21.6
147.08037	4.8
147.11668	19.2
149.09586	13.1
149.13194	10.5
151.11157	5.1
155.08542	2.2
157.10133	6.0
159.08012	1.7
159.11668	17.4
161.09589	1.9
161.13239	6.8
163.11160	8.9
165.09126	1.6
169.10130	6.2
169.43025	0.9
171.11688	5.2
173.09546	1.3
173.13261	5.8
175.11188	1.3
177.12773	6.1
179.14267	10.9
183.11690	4.4
185.13115	1.5
187.11137	2.1
187.14822	1.3
223.13232	1.6
239.17932	2.0
241.19540	1.3
251.16400	1.6
253.14320	1.2
255.15887	4.4
257.18954	4.8
259.20554	2.2
269.17453	18.4
273.18295	1.2
273.44238	1.0
275.20016	49.8
279.15903	1.1
291.19531	13.4
293.21085	2.0
303.99734	0.9
331.22876	1.5
333.24261	2.1
335.25793	1.9
349.23663	33.5
365.23212	5.8
367.25055	3.0
413.21570	1.7
529.35175	21.7
543.36707	100.0
605.42157	3.3
623.42975	30.3
641.44104	14.9
642.25513	1.1
687.41034	2.1
690.64276	1.2
839.44885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63937	1.5
59.04987	2.1
61.02910	2.2
61.43711	1.4
62.93308	1.3
65.03927	3.9
67.05494	89.8
69.03416	3.3
69.07053	40.8
71.08617	4.0
79.05476	81.0
81.03408	16.2
81.07037	100.0
82.17770	1.5
83.04970	44.5
83.08601	21.8
85.02911	4.2
85.06538	2.1
86.09692	9.8
87.04427	1.8
91.05460	88.6
92.05819	1.8
92.09305	3.4
93.07021	88.1
95.01306	6.7
95.04949	28.1
95.08583	63.5
95.09196	2.1
97.02882	3.5
97.06498	22.8
97.10157	12.2
99.04482	2.0
99.08106	2.8
100.55285	1.7
103.05461	6.7
105.07017	84.7
106.07381	2.4
107.04939	30.4
107.08578	43.8
109.06516	9.7
109.10134	21.6
111.04448	6.8
111.08105	7.1
114.15182	1.7
115.05433	3.3
117.07001	34.3
119.08561	53.9
121.06489	8.6
121.10114	28.1
123.04466	1.9
123.08077	6.9
123.11694	4.1
125.00015	3.4
125.09629	10.2
129.06969	7.9
131.08542	30.8
133.06493	3.8
133.10098	37.3
135.08003	15.6
135.11682	20.2
137.09607	7.3
143.08556	8.4
145.06473	10.7
145.10114	25.4
147.08023	3.0
147.11639	15.1
149.09566	8.3
149.13271	7.5
151.11211	6.8
153.12772	2.3
153.19388	2.1
157.10149	6.6
159.08003	2.5
159.11673	14.6
159.39726	1.8
161.09628	2.1
161.13211	8.5
163.11151	17.1
169.10085	3.5
171.11684	7.4
173.09660	2.6
173.13194	3.4
175.11249	2.6
175.14838	2.2
177.09053	1.7
179.14255	12.3
183.11682	3.6
184.07333	12.6
187.11194	2.8
191.10591	2.3
193.12245	2.9
211.64713	1.8
223.13184	3.0
227.12830	3.6
241.19470	2.4
259.20450	6.8
261.18402	3.9
261.22122	2.6
272.38928	1.7
275.20023	34.2
277.21576	3.7
283.15353	9.6
289.17911	21.3
291.19397	4.3
329.78961	1.6
333.23810	4.9
335.25702	44.5
349.23718	15.6
363.21655	11.0
365.23251	3.2
381.22781	6.2
525.35590	2.2
543.36719	31.6
607.43695	14.4
623.42999	39.5
641.43903	41.4
671.89099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36417	1.2
61.58712	1.1
64.95787	1.2
65.03926	5.8
67.05144	2.9
67.05495	70.3
69.03419	2.6
69.07046	18.8
71.04976	6.4
79.05479	67.1
81.03376	2.8
81.07041	64.0
83.04970	7.3
83.08604	8.4
85.02898	1.6
85.06537	15.7
91.04888	1.9
91.05461	56.2
93.07026	58.8
95.04949	67.1
95.08585	36.7
97.06499	6.8
97.10144	6.9
103.05436	2.9
105.07013	60.1
107.04940	17.4
107.08591	40.8
109.06509	68.5
109.10158	11.9
111.04439	1.6
111.08087	2.8
113.05996	32.3
114.29414	1.4
115.05424	1.7
117.07000	31.0
119.08560	37.8
121.06472	10.2
121.10144	16.6
123.08054	7.9
128.06186	2.4
129.06982	16.3
130.07793	3.6
131.08560	39.3
133.06473	2.4
133.10114	32.7
135.08035	43.6
135.11710	13.4
137.09581	2.4
142.07695	1.5
143.08531	15.7
145.10109	25.2
147.08037	11.4
147.11664	18.4
149.09581	11.6
149.13242	7.3
155.08565	2.4
157.10109	17.0
159.07983	5.9
159.11702	18.7
161.09566	13.5
161.13255	7.9
163.11122	7.8
169.10161	5.6
171.11668	8.6
173.13239	9.6
175.11168	3.1
175.14807	3.2
183.11691	3.0
185.13263	8.3
187.11105	3.0
188.63022	1.8
195.11679	1.7
197.13234	2.4
199.14822	6.0
209.13225	1.8
217.15891	11.3
236.14799	2.2
238.36696	1.7
241.19446	9.5
245.18750	1.9
246.95399	1.5
255.17303	2.6
257.18921	2.3
259.20526	16.3
264.24240	1.5
273.18445	21.2
275.20056	8.7
279.15976	2.3
291.19485	55.2
315.23123	5.7
331.22339	2.1
333.24164	26.2
347.22089	2.5
349.23624	8.0
365.23206	19.5
378.01074	1.7
531.37488	2.0
605.41895	12.9
623.43024	100.0
624.43140	5.3
641.43945	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	837.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	4.2
67.05505	6.6
69.07032	2.6
70.28116	2.9
73.02903	3.9
79.05480	6.6
81.07033	5.4
91.05482	4.2
95.08588	3.7
100.91553	2.8
105.07017	5.2
128.23708	2.7
130.87814	3.2
184.24159	2.6
389.70569	3.1
410.84317	3.4
611.46289	11.2
837.51257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71276	0.8
60.12486	0.8
60.25476	0.7
63.02992	0.7
65.03921	1.4
65.77425	0.7
67.05495	59.2
68.06728	0.9
69.03402	4.1
69.07057	46.2
70.22501	0.7
71.04970	4.5
77.03909	0.8
79.05476	55.9
80.05795	0.9
81.03406	12.7
81.07040	81.4
83.04967	12.1
83.08602	14.5
85.02876	0.9
85.06523	1.9
85.14979	0.8
87.04448	1.4
91.05463	76.1
91.68724	0.7
93.07026	57.0
95.01322	12.0
95.04944	16.5
95.08009	1.6
95.08589	43.5
97.02861	1.7
97.06509	27.3
97.10145	7.3
99.08069	1.7
102.10515	1.0
103.05405	3.2
105.07015	100.0
107.04942	25.8
107.07867	1.1
107.08588	30.0
109.06496	10.0
109.10155	11.6
110.20867	0.8
111.04424	1.5
111.08070	3.7
113.09607	1.1
115.05417	1.1
116.06223	1.2
117.07008	24.5
119.04861	0.8
119.08562	55.7
121.06459	5.9
121.10141	13.9
123.04382	1.8
123.08050	7.6
123.11693	4.1
125.09599	4.2
128.06171	1.8
129.06989	3.8
130.07776	1.7
131.08545	30.8
133.06473	3.7
133.10115	45.6
135.08029	4.7
135.11682	14.1
137.09589	3.7
139.07535	1.2
141.06998	3.6
143.08530	6.9
145.06458	3.7
145.10114	21.7
147.08014	1.7
147.11673	19.2
149.09604	13.0
149.13228	7.7
151.11186	3.1
155.08549	3.3
157.10098	4.5
159.08005	1.1
159.11679	17.4
161.09492	0.9
161.13197	7.7
163.11188	9.7
165.09122	1.4
169.10129	4.2
171.11630	4.0
173.13181	6.3
175.11137	0.9
177.12715	1.9
179.14258	13.8
183.11655	3.4
185.13219	1.5
187.11159	4.1
195.13907	1.4
197.13214	3.3
203.25558	0.8
205.12225	1.0
219.17360	3.2
227.12785	3.1
229.19571	1.1
233.15453	0.9
239.17967	1.3
247.20569	3.1
248.12326	0.9
255.15939	1.7
257.18906	5.5
259.20422	1.0
269.17462	8.0
275.20013	61.7
276.20322	1.4
279.15851	1.3
291.19476	1.1
293.21121	1.9
331.22601	1.2
349.23682	41.1
367.24722	1.1
377.18619	0.8
391.88629	0.8
503.33441	1.3
529.35150	21.0
539.22986	0.9
543.36707	73.5
544.37323	1.7
583.39752	4.4
605.41119	1.5
623.42969	37.4
624.42828	1.3
641.44159	10.2
663.37042	1.3
687.40686	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	836.555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05178	7.7
67.05492	86.4
69.07050	51.5
71.08625	52.4
79.05472	10.7
81.07038	93.0
83.08595	42.6
85.10163	28.4
92.09344	12.0
93.07001	17.7
94.58412	5.3
95.08582	100.0
97.10146	8.0
105.07020	10.1
107.08580	6.5
109.02827	6.6
109.10129	45.8
110.62017	5.1
115.69655	5.1
123.11678	23.0
135.89342	6.1
204.20634	5.1
263.23651	11.6
313.27359	96.0
337.27399	74.4
349.96301	7.4
368.16266	5.6
410.27081	6.1
539.29034	8.0
563.28259	8.6
575.50177	67.8
720.19946	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	836.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53028	3.9
67.05497	68.9
69.07053	32.3
79.05476	70.3
81.03408	4.4
81.07035	85.5
83.04961	8.9
83.08573	7.2
85.06522	4.8
91.05461	60.9
92.08640	13.5
92.80202	4.0
93.07027	45.6
95.01288	5.3
95.04955	57.0
95.08572	27.1
96.81023	4.2
97.04034	4.0
97.06517	33.3
105.07016	61.4
107.04926	24.6
107.08565	30.1
109.06535	53.6
109.10102	9.2
111.04440	6.5
111.08088	4.3
113.05988	10.0
117.06994	18.2
119.08553	41.9
120.26189	4.2
121.06493	6.2
121.10132	7.5
123.07986	4.6
129.07019	7.5
131.08549	32.5
133.06519	4.2
133.10089	37.6
135.08057	28.1
135.11705	8.4
143.08482	5.8
145.10112	23.1
147.08067	7.1
157.10080	8.8
159.11682	5.9
161.09593	7.2
163.11162	8.4
165.19920	4.8
179.14256	6.8
189.16316	5.4
257.18912	6.0
273.18546	17.5
275.20093	31.5
291.19455	46.7
327.15396	4.3
333.32239	4.4
347.22128	6.7
349.23709	32.0
365.23157	21.7
621.41327	38.4
639.42383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.1
66.34566	1.8
67.05143	2.8
67.05495	74.4
69.03418	4.6
69.07055	40.3
71.07320	2.2
71.08625	2.0
74.20970	2.0
77.76577	2.0
79.05480	50.2
81.03389	12.6
81.07040	90.9
83.04967	14.8
83.08606	12.8
85.06537	3.8
86.09691	22.4
91.05464	100.0
93.06489	3.0
93.07032	57.6
95.01321	5.4
95.04954	21.8
95.08588	42.5
97.06515	32.5
103.05399	2.4
105.07014	98.2
107.04942	25.7
107.08584	42.4
109.06483	10.3
109.10152	37.8
115.05396	5.3
117.06979	18.3
119.08568	50.4
121.06509	9.9
121.10133	12.5
123.08049	8.9
123.11652	3.9
124.99974	11.1
125.09602	2.5
128.06342	2.5
129.07002	9.0
131.08569	25.2
133.06496	3.5
133.09178	4.2
133.10109	76.5
135.08061	5.5
135.11659	4.6
137.09625	3.8
143.08566	5.1
145.06483	2.8
145.10120	17.9
147.08083	2.9
147.11710	16.2
149.09599	9.8
151.11168	24.4
159.11717	9.8
161.09669	4.5
161.13243	8.5
163.11119	2.7
171.11623	4.8
177.12711	3.2
179.14282	10.4
184.07318	46.7
187.11159	2.3
253.14326	54.9
257.18988	4.1
273.18420	14.0
275.20050	51.7
290.31302	2.3
291.19409	11.5
347.22125	10.4
349.23767	27.1
357.19504	2.7
365.23145	30.7
371.64987	2.3
545.34418	9.4
621.41577	17.7
639.42493	87.6
818.52515	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	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04969	1.1
65.03928	1.4
67.05145	1.8
67.05494	43.7
69.03421	4.6
69.06713	1.9
69.07054	40.4
71.49793	0.9
79.05476	37.6
81.03405	9.2
81.06597	2.0
81.07043	43.3
81.48821	1.0
83.04971	7.4
83.08609	10.5
86.09701	4.6
91.05462	48.4
93.07027	36.7
95.01307	9.2
95.04950	16.2
95.08585	32.0
96.39261	1.1
97.02854	2.5
97.06515	22.4
97.10146	7.0
103.05411	1.1
105.07014	62.2
107.04933	13.6
107.08562	20.2
109.06496	6.8
109.10135	12.7
111.04411	1.3
111.08016	1.5
117.06989	16.4
119.08564	33.0
121.06448	7.6
121.10094	8.5
123.04266	1.1
123.08056	4.8
123.11704	1.3
124.99963	4.1
125.09609	6.7
129.06966	4.4
131.08548	22.7
133.06454	2.5
133.10107	28.8
133.11041	2.1
135.08063	4.6
135.11636	6.8
137.09567	1.8
141.07040	1.6
143.08545	1.8
145.06503	1.6
145.10133	13.5
147.07983	2.4
147.11667	10.8
149.09566	5.0
149.13225	2.1
151.11124	1.8
157.10081	3.9
159.08055	1.2
159.11618	8.5
161.13181	4.1
163.11147	2.0
165.09059	1.5
169.10048	1.4
171.07954	1.2
171.11636	1.2
173.13109	2.0
177.12700	2.2
179.14323	10.3
183.11649	1.3
184.07310	10.3
184.18767	1.0
187.11143	2.0
209.25769	1.2
223.13298	6.8
227.12611	1.4
237.99284	1.3
245.19014	1.6
257.18958	2.2
273.18481	8.1
275.20029	40.6
287.16299	1.2
291.19498	37.9
293.20947	4.0
331.47501	1.4
335.25894	1.1
349.23669	21.8
365.23123	20.7
409.90015	1.3
541.35254	1.9
621.41180	6.5
639.42426	100.0
640.42371	4.3
649.53564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.8
65.03953	2.2
67.05489	41.6
69.07043	11.2
79.05478	54.8
81.03397	1.9
81.07038	45.3
83.04963	28.6
83.08588	7.8
85.06511	2.9
87.29321	1.7
91.05461	71.2
92.08662	2.0
93.07021	51.2
95.04929	15.1
95.08578	38.3
97.06505	2.6
97.10146	1.9
99.04387	2.7
104.34602	2.0
105.07012	70.7
107.04946	37.0
107.08577	32.3
108.50271	2.0
109.06483	13.6
109.10138	8.1
109.85327	2.1
111.04443	16.1
111.08008	2.7
113.06010	3.0
116.06175	2.0
117.06991	29.2
118.07798	2.2
119.04946	1.8
119.08547	48.0
121.06485	4.5
121.10133	15.4
123.08003	2.5
125.05922	2.7
128.06145	4.5
129.07002	15.8
131.08545	34.5
133.06493	2.6
133.10089	31.6
133.76297	2.0
135.08040	10.0
135.11667	10.8
141.06935	3.3
142.07750	2.1
143.08588	15.3
145.06462	7.5
145.10112	22.6
147.08031	7.9
147.11649	18.4
149.05914	2.5
149.09596	2.4
149.13214	4.1
155.08530	8.0
157.10065	14.2
159.08052	13.4
159.11667	19.6
161.09604	3.7
161.13226	11.4
163.11156	3.9
165.06987	2.2
169.10086	9.0
171.11646	12.5
173.09589	3.4
173.13228	10.9
177.12697	4.7
181.10207	2.9
183.11745	4.8
185.13235	8.2
187.14871	2.6
189.12796	1.9
195.08080	2.1
195.11803	2.3
197.13181	3.8
205.15846	2.2
209.29515	1.9
211.14844	2.8
213.16339	2.1
233.15334	4.2
241.19542	3.5
259.20541	10.1
261.18420	3.2
279.15976	8.3
285.21793	2.5
289.17911	12.9
293.32397	2.0
297.38730	1.9
333.24356	14.7
343.26205	3.6
363.21552	13.3
529.36279	2.9
547.37708	4.3
565.39117	13.8
603.40582	8.0
621.41455	100.0
639.42590	29.4
699.36322	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	835.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.6
66.20274	0.5
68.99769	8.4
79.05476	2.5
81.03380	1.4
85.02887	0.8
91.05463	5.7
95.04948	9.1
95.25855	0.7
103.05469	1.0
107.04943	100.0
108.05271	1.3
109.02856	1.4
111.00771	4.7
111.04432	4.0
115.05487	0.9
117.06974	0.9
119.04925	66.9
121.02843	15.8
121.06558	0.7
122.03197	1.2
123.04409	36.7
127.03899	14.0
131.04913	3.5
133.06483	7.6
135.03497	0.8
135.04420	10.3
137.02269	1.2
137.46275	0.6
139.03885	32.2
141.06999	1.0
143.04802	0.8
145.06482	12.3
147.04398	47.5
149.02350	11.8
149.05959	0.9
150.02730	0.7
151.03896	15.0
153.01837	1.6
153.06960	0.9
157.06522	4.7
159.04358	1.2
159.08049	0.9
161.05952	8.2
163.03899	12.7
165.05457	3.6
165.06915	1.5
167.03380	13.8
169.06436	3.0
171.04396	11.7
173.05946	2.6
175.03902	1.6
176.04640	0.8
176.82643	0.6
177.05470	2.8
179.03374	10.6
181.06448	2.8
183.07968	0.9
185.05936	6.4
187.03851	4.3
187.07542	2.9
189.05464	10.0
190.02689	0.7
191.03343	10.0
193.04987	4.2
197.05995	5.0
199.07512	3.8
201.05473	5.2
202.05905	0.8
203.03397	11.8
203.07092	2.6
205.04909	1.4
207.06528	1.3
213.05446	7.8
215.03412	5.1
215.07007	5.5
216.04100	0.9
216.07419	0.9
217.04921	2.7
225.05421	2.9
227.06938	6.0
229.04930	6.8
231.03041	1.0
231.06494	36.4
232.06822	1.3
233.04346	4.9
239.07013	2.7
241.04930	2.7
243.06435	14.6
244.03648	5.9
244.06900	3.3
245.04410	15.6
245.08080	2.7
246.04959	0.8
247.05949	4.4
253.04970	1.1
254.38622	0.7
255.06487	14.1
257.04419	19.5
257.07932	2.7
258.04852	3.9
259.05768	1.1
265.04828	1.3
267.06470	12.4
269.04453	4.2
271.05960	47.3
272.06296	27.1
273.07526	20.6
274.02148	0.7
274.04639	6.5
275.05460	7.5
275.08746	2.2
279.06436	1.2
281.04407	1.4
283.05954	2.5
285.03958	4.6
285.07523	10.0
286.07806	1.0
287.05453	20.0
291.08615	11.6
295.05829	1.5
297.03796	2.5
297.07205	1.0
299.05228	4.5
303.05234	0.9
303.08505	1.3
307.05939	2.6
309.03970	1.0
311.05402	0.9
323.05344	1.0
345.07599	1.2
347.09100	1.2
351.04831	2.3
359.08801	0.9
363.08612	4.2
367.08060	1.2
373.06815	1.1
375.08615	1.5
377.10162	3.2
380.08679	0.7
391.07916	12.1
393.05273	1.3
393.09848	9.9
395.11160	3.6
396.11569	0.8
401.10138	1.1
403.07938	3.6
405.05875	2.8
405.10361	1.0
409.09003	8.9
411.10657	8.9
419.11273	0.9
421.09183	7.4
423.10944	0.9
427.09998	2.8
501.11792	1.4
502.11996	2.8
503.12402	2.9
511.10397	0.9
527.12677	0.7
528.09729	1.2
529.11005	2.7
545.10895	0.8
563.15424	5.6
680.13995	1.1
681.14630	3.6
698.15112	1.0
699.16559	0.8
702.75970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04883	0.6
65.03947	1.6
68.99779	8.0
79.05505	0.8
81.03397	1.1
82.39658	0.6
91.05465	7.2
95.04942	9.0
103.05424	0.7
107.04939	100.0
108.05293	1.6
111.00788	4.0
111.04426	4.4
111.94834	0.6
117.06980	0.9
119.04918	58.7
121.02852	15.6
122.03216	1.5
123.04402	33.5
124.04783	0.9
127.03896	14.2
131.04897	3.2
133.06441	7.3
135.04410	10.1
137.02344	1.4
139.03891	28.1
140.59383	0.7
141.07004	1.5
145.06442	12.0
147.03194	1.5
147.04387	46.3
148.04762	0.9
149.02332	11.5
149.05939	1.0
150.02612	0.9
151.03886	13.4
153.01788	2.7
157.06480	7.4
159.04359	1.6
159.08055	1.0
161.05910	7.3
163.03889	10.5
165.01816	1.2
165.05444	4.8
165.06828	1.4
167.03372	10.8
169.06511	3.2
171.04385	9.0
171.08115	1.0
173.06009	1.7
175.03932	2.8
177.05379	3.2
179.03349	12.2
181.06422	1.1
183.07845	0.9
185.05957	6.9
187.03851	5.0
187.07500	4.0
188.07979	0.8
189.05450	10.1
190.10101	0.8
191.03371	11.1
192.03699	0.8
193.04933	4.5
197.05969	4.7
199.03894	0.9
199.07462	4.3
201.05443	3.9
203.03345	10.9
203.07043	1.4
205.04903	1.4
206.62701	0.8
213.05351	5.3
215.03400	3.4
215.06923	5.8
216.04053	1.2
216.07387	1.2
217.04825	1.4
219.06506	0.8
223.02330	0.8
225.05397	1.2
227.07033	4.4
229.04912	8.0
231.02972	0.8
231.06474	28.7
232.06789	1.5
233.04465	4.4
239.06990	4.0
241.04933	3.1
242.05644	1.3
243.02876	1.1
243.06485	14.0
244.03667	4.2
244.06805	2.6
245.04393	16.4
245.08058	2.4
247.05989	2.9
253.04985	1.0
255.06425	14.0
257.04419	18.4
257.07904	3.4
258.04800	8.8
267.06406	11.6
268.06976	0.9
269.04401	4.0
271.05945	49.0
272.06302	25.0
272.09058	1.2
273.07458	20.8
274.04608	7.2
275.05499	4.8
275.09042	3.2
279.06354	1.4
281.04361	1.1
283.06000	1.3
285.03955	5.4
285.07529	9.7
287.05408	17.1
288.05634	0.9
289.07236	0.9
291.08670	10.1
295.05978	3.3
297.04080	2.2
297.07379	1.0
299.05466	4.2
307.06009	1.1
315.05194	0.8
321.07391	0.9
345.07263	1.6
349.10504	0.9
351.04935	2.9
363.08664	2.9
367.08090	1.4
373.06796	0.9
375.08582	1.6
377.10257	1.6
391.07974	13.1
393.05359	1.1
393.09912	9.6
395.11163	3.2
396.11530	1.1
401.09750	0.8
403.08017	4.6
405.05545	1.1
409.09055	9.8
410.09180	1.1
411.10776	9.8
419.10953	1.1
421.09012	6.3
427.10208	1.6
433.08807	1.3
435.11304	0.8
501.11679	1.2
502.11826	4.5
503.12463	3.0
511.10010	1.1
529.10797	2.6
545.13696	1.4
563.14935	2.6
664.15918	1.1
680.14551	1.1
681.14972	3.9
698.15460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47797	8.3
61.02877	9.1
67.05492	92.4
69.07057	20.5
69.51337	7.6
71.08602	15.3
79.05482	80.7
81.07036	93.0
91.05454	79.7
93.07030	86.1
95.08591	77.2
105.07010	45.2
107.08570	22.0
109.10124	15.2
117.06976	23.1
119.08548	44.5
121.10152	17.6
129.07010	13.9
131.08534	40.4
133.10127	13.0
138.88380	9.4
141.06941	8.8
143.08575	11.5
145.10089	37.2
155.08603	12.7
159.11676	9.9
169.10123	13.4
239.09721	10.0
261.22156	21.3
285.21991	18.2
313.27231	38.4
335.25793	100.0
497.30630	12.1
595.00287	10.6
637.48541	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	834.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32624	2.9
67.05492	50.6
69.03401	3.4
69.07039	17.0
71.04980	6.5
71.08620	26.8
75.23798	3.7
79.05473	29.4
81.03410	7.5
81.07037	54.7
82.33547	3.3
83.08624	6.9
85.02914	3.4
85.10169	20.6
86.76926	3.6
91.05467	22.7
93.07031	38.0
95.08586	32.7
97.02878	3.5
97.06535	6.7
97.10149	13.8
105.07029	26.0
107.08587	20.8
109.10160	16.3
111.08096	3.7
117.07016	6.5
119.08566	13.5
121.06452	3.5
121.10158	13.5
131.08562	13.3
133.10124	13.2
135.11652	6.0
140.15862	3.7
145.10129	7.2
147.11705	8.1
149.13235	7.7
159.11708	17.1
195.13750	4.3
221.22992	3.9
269.17197	3.9
275.19977	7.0
313.27271	39.0
349.23566	5.1
354.76413	3.2
413.21432	5.2
507.33795	5.4
507.40515	100.0
587.46667	29.7
619.49091	14.4
651.44000	5.3
752.89026	3.6
848.24042	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	834.539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62537	2.4
67.05148	3.9
67.05493	82.2
69.03422	4.4
69.07053	23.7
71.08616	49.3
73.02901	4.0
76.56760	2.2
79.05473	46.6
81.03381	3.4
81.06599	4.6
81.07037	84.0
83.08607	24.9
84.94373	2.4
85.10163	17.0
91.05450	24.0
92.09300	3.7
93.07023	53.9
95.04959	3.7
95.08012	3.9
95.08583	82.4
95.09185	2.8
97.10144	10.9
105.07016	21.6
107.08582	37.8
109.02861	9.2
109.10144	32.1
110.03644	4.5
111.04432	4.6
112.47615	2.3
117.07011	10.3
119.08556	17.7
121.10105	26.6
123.11672	10.8
127.03931	3.1
129.01172	2.3
131.08536	15.3
133.10120	10.4
135.11610	18.6
137.13219	3.7
145.10114	10.7
147.11623	5.7
149.13240	10.5
159.11682	5.6
161.13232	4.6
163.14760	5.0
173.13240	10.2
175.14888	3.5
191.00101	2.8
239.23537	3.2
243.21028	4.0
257.24649	5.8
261.22089	36.3
313.27335	100.0
317.24707	4.6
335.25745	75.7
539.28577	16.1
561.26563	13.3
573.48798	40.3
591.49957	3.8
635.46014	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	833.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00793	0.3
68.99768	2.3
72.52086	0.3
77.35494	0.3
77.36033	0.3
81.03404	0.5
82.55407	0.3
85.02881	0.4
91.05442	1.3
92.09403	0.3
95.04958	0.7
103.05450	0.5
107.04938	16.1
110.75843	0.4
111.00793	1.6
111.75544	0.3
114.39533	0.3
119.04904	3.9
121.02824	1.8
121.06477	0.4
123.04421	2.3
127.03909	1.8
132.78482	0.3
133.06401	0.5
135.04321	0.9
137.02333	11.7
137.03357	0.4
137.86249	0.4
139.03870	2.5
141.06934	0.5
145.06433	2.0
147.04399	5.7
149.02306	4.5
149.05966	1.9
150.31464	0.3
151.03871	2.0
153.01790	2.3
154.94771	0.3
157.06461	1.5
161.05956	1.4
163.03909	4.7
167.03374	1.3
171.04475	1.1
173.05888	0.6
175.03894	0.8
177.01727	0.5
179.03357	1.6
183.04462	0.4
185.05942	1.5
187.03928	0.7
187.07516	0.6
189.05486	1.9
191.03375	1.5
191.07001	0.7
193.04956	0.8
197.06006	2.4
199.03859	0.6
201.05487	0.8
203.03366	5.3
211.07449	0.5
213.05432	4.0
217.04933	0.8
225.05383	0.7
227.03514	0.6
229.04944	2.3
231.06496	13.6
233.04443	0.8
239.07062	0.7
241.04886	2.2
243.06473	7.4
245.04410	3.5
247.05908	1.5
255.06429	2.1
257.04404	16.4
257.07928	2.4
258.05151	1.9
259.05896	2.7
267.06454	4.0
269.04401	2.8
271.05881	2.7
273.07471	1.7
275.05441	0.5
281.04312	0.8
281.08615	0.4
283.05911	0.7
285.04288	0.6
285.07507	4.3
287.05447	100.0
288.05759	0.9
299.05246	0.7
311.05621	0.7
349.06821	0.6
373.06854	0.6
379.11673	5.7
389.06580	0.6
391.07986	1.8
393.09634	9.2
413.08298	0.7
415.08139	0.6
419.07205	0.7
433.09137	1.6
435.07217	0.6
447.07141	1.5
517.11316	10.8
541.11298	0.8
543.09296	4.1
559.12476	0.6
561.10193	0.7
573.10236	3.0
679.14252	7.8
697.15125	5.9
841.33911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99777	1.3
93.03435	0.8
95.04974	0.8
107.04955	8.9
111.00816	0.7
111.04471	0.9
119.04878	1.9
121.02840	14.5
123.04422	5.7
127.03914	3.0
131.04875	0.9
133.41241	0.5
135.04404	5.6
137.02394	1.2
139.03882	7.1
145.06477	1.5
147.04414	5.5
149.02345	5.5
149.06013	1.3
151.03928	2.5
153.01840	2.4
155.03450	1.0
159.04411	0.8
161.05952	1.2
163.03894	8.4
169.06512	1.4
173.05969	2.3
185.05942	0.8
187.03911	4.3
189.05444	0.7
191.03415	1.3
193.04929	0.9
193.08640	0.6
197.05984	3.6
199.07567	0.8
201.05438	1.0
203.03423	2.7
209.24020	0.6
211.03754	0.6
213.05428	1.5
215.06944	5.6
222.06740	0.6
225.05479	1.0
229.04733	4.5
231.06509	6.6
233.04515	0.8
241.04880	1.2
241.15456	0.9
243.06438	5.6
245.04417	2.9
247.05975	4.4
250.94373	0.6
253.05019	2.9
257.04431	14.8
259.05890	5.1
267.06650	0.6
267.51355	0.7
269.04541	0.7
271.05966	100.0
272.06387	1.2
275.05469	1.1
276.63647	0.7
283.06042	2.7
287.05524	6.4
295.06058	1.4
301.07104	3.2
323.50943	0.7
375.08499	1.2
391.08185	1.4
393.09811	6.0
395.11169	3.7
397.09094	3.4
401.06378	0.9
403.07895	0.8
409.09219	1.2
431.07263	1.0
511.41467	0.7
517.11292	11.5
527.09454	4.1
545.10522	0.8
557.10352	1.2
622.27765	0.6
663.14893	5.2
679.14313	2.4
681.16211	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	833.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
67.92884	0.3
68.17651	0.2
68.99780	2.2
69.15041	0.2
72.54190	0.3
76.56996	0.3
91.05445	0.7
92.08704	0.6
95.04934	0.4
103.05526	0.3
107.04940	13.2
111.00783	0.6
111.04450	0.4
119.04906	5.2
121.02837	14.6
123.04400	6.4
127.03893	1.3
131.04868	1.2
133.06493	0.6
135.04370	1.1
139.03860	1.4
141.06952	0.7
142.47957	0.3
145.06447	2.2
147.04395	8.9
147.08014	0.3
149.02333	4.6
151.03882	2.4
153.01779	2.9
155.03340	0.5
155.04747	0.4
157.06450	1.2
159.04398	1.0
161.02271	0.6
161.05945	1.6
163.03848	3.2
165.05521	0.6
165.06982	0.5
167.03392	0.4
169.06479	2.1
171.04362	0.4
173.05952	2.0
175.03864	0.4
179.03322	2.6
183.08011	0.4
185.05939	1.5
187.03816	2.9
187.07468	1.1
189.05443	1.4
191.03343	2.0
193.04913	1.0
197.05914	3.7
201.05428	1.9
203.03314	1.4
205.05014	0.6
207.06519	1.3
211.07458	0.4
213.05473	1.4
215.03357	0.4
215.06992	5.8
223.33388	0.3
225.05350	1.3
227.06876	0.5
229.04866	3.4
231.06488	10.7
233.04422	1.1
239.06975	1.6
241.04890	1.5
242.05740	1.9
243.06476	10.3
245.04370	2.5
253.04956	1.6
255.06480	1.8
257.04391	15.3
257.08051	1.5
258.04944	0.4
259.05923	0.4
265.04858	0.4
267.06348	3.3
269.04401	1.7
270.05084	0.5
271.05948	100.0
272.06299	1.3
273.07617	1.5
275.05322	0.6
281.04495	0.3
281.08151	0.3
283.05829	1.0
285.04398	0.6
285.07434	3.7
287.05463	3.7
295.05923	1.3
299.05310	0.6
307.05887	0.5
321.03735	0.4
329.07944	0.4
333.07373	0.4
347.09094	0.5
349.07016	0.4
351.04889	0.3
361.06921	0.6
367.77835	0.3
371.08963	0.4
373.06952	0.5
375.08582	1.5
377.09961	0.6
379.08081	0.4
391.59393	0.3
393.09671	0.5
395.11240	4.1
397.09085	1.3
401.06357	0.6
403.08170	0.6
409.09140	4.9
417.09491	1.7
427.10132	0.4
431.07498	1.4
497.12131	0.4
501.11749	10.1
525.11853	0.4
527.09534	3.7
543.12366	0.4
545.10315	1.2
557.11230	2.1
645.14197	0.5
663.15112	2.0
679.14514	5.0
697.14972	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	832.557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	73.6
69.07053	19.4
69.24751	2.4
71.08601	5.6
75.06493	2.5
79.05482	70.3
81.03414	4.4
81.07037	56.3
83.04977	4.0
83.08612	7.0
85.06536	3.5
85.10170	3.0
90.99429	2.5
91.05457	100.0
93.07021	60.7
95.04951	12.5
95.08594	42.8
105.07014	72.6
107.04996	3.7
107.08591	24.6
109.06568	3.6
109.10117	21.7
111.07973	3.2
117.06999	42.5
119.08553	56.3
119.92649	2.9
121.10133	17.2
128.06236	6.5
129.07021	25.3
131.08545	43.5
133.10138	37.4
135.11684	15.3
141.07011	4.9
142.07771	3.8
143.08536	23.9
145.10139	27.2
147.11693	20.0
149.13274	4.3
155.08583	6.6
157.10103	11.4
159.11668	16.0
161.13211	6.9
169.10114	13.3
171.11707	15.1
173.13254	5.2
181.10048	4.5
183.11656	3.6
184.07376	3.1
185.13181	3.9
199.14861	6.5
201.16400	4.9
228.26021	3.5
241.19557	4.6
259.20538	21.3
261.22055	4.3
264.73926	3.1
284.57184	3.0
313.27255	11.6
315.23438	3.0
333.24054	22.5
335.25693	4.4
359.25809	3.6
563.30743	3.6
589.48010	4.7
635.45886	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	831.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	6.4
73.15977	2.7
74.58881	2.7
79.05467	3.6
81.07027	7.3
91.05466	4.4
93.07034	5.7
101.66906	3.1
106.63131	3.2
111.01679	3.3
145.10130	3.5
256.90463	3.3
481.36954	3.1
537.30139	5.6
577.62195	3.6
831.52148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.8
63.39871	1.8
66.19319	2.0
67.05508	3.8
69.03425	2.5
69.07060	3.2
79.05471	2.6
81.03403	2.6
81.07051	3.2
85.02876	4.7
85.69282	1.9
91.05486	3.1
92.30122	2.1
95.08597	2.6
111.98083	1.8
131.08540	3.7
194.61276	2.0
243.08452	2.1
310.87445	2.2
332.65872	2.4
386.42828	2.4
392.09299	2.2
561.11713	2.2
575.28461	3.0
831.52222	100.0
832.52118	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	832.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	9.1
65.03931	4.7
66.54230	1.6
67.05498	100.0
69.03407	3.9
69.07068	23.2
71.04984	2.7
71.08629	3.6
71.28918	1.8
73.02908	3.6
79.05476	79.4
81.03395	3.5
81.07040	83.1
83.04962	3.7
83.08616	12.6
85.02895	7.7
85.10214	1.8
91.05463	80.6
92.09286	3.0
93.07027	75.9
95.04959	12.6
95.08589	73.2
97.02895	9.4
97.06499	7.0
97.10160	4.0
98.90186	1.7
103.03986	2.1
105.04515	2.6
105.07021	48.8
106.07367	1.9
107.08565	33.2
109.06514	3.3
109.10140	24.6
115.05441	8.6
116.06170	1.9
117.07012	51.3
119.08572	42.6
121.10131	22.1
123.08035	3.1
123.11696	4.5
128.06229	9.4
129.05478	3.4
129.06976	50.4
131.08556	54.8
133.10129	26.2
135.08092	3.0
135.11662	15.2
141.06963	21.1
142.07779	7.8
143.08551	31.7
145.10132	29.7
147.11665	14.8
149.13266	3.7
153.06967	3.0
155.08539	23.7
157.10094	33.7
159.11647	16.3
161.09685	4.2
161.13257	11.2
164.78648	3.0
165.07027	3.7
166.07732	2.4
167.08502	10.1
168.09381	3.2
169.10100	17.4
171.11629	24.5
173.09514	2.6
173.13290	18.5
175.14703	2.7
180.09331	3.2
181.10130	19.5
182.10991	2.0
183.11719	10.2
185.13278	12.3
187.11237	8.1
187.14914	2.5
195.11716	10.3
197.13235	7.7
199.11110	8.4
199.14853	23.0
201.12738	2.9
207.11769	2.2
209.13252	11.0
211.14772	3.7
213.12730	4.1
223.14784	9.5
227.14194	2.4
237.16356	2.2
239.18256	2.0
241.19440	9.9
255.17462	2.2
259.20520	13.8
261.22061	3.8
265.19366	19.7
283.20569	34.5
313.27365	10.4
333.24249	3.9
335.25757	99.4
339.03891	1.9
357.24103	10.4
497.30890	15.5
589.48254	2.9
635.46521	26.0
739.93750	2.6
832.52667	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	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.7
64.23304	1.9
67.05502	16.7
69.03430	2.3
70.19951	1.7
73.02892	2.6
79.05490	11.0
81.03389	2.5
81.07059	12.3
85.02910	2.5
86.09705	2.3
91.05469	9.2
93.07051	9.1
95.04967	8.6
95.08608	7.1
97.02866	2.0
97.06544	2.0
105.07047	7.8
107.08598	4.2
109.06544	3.2
109.10146	2.9
119.08558	6.9
121.10173	2.5
131.08603	3.7
145.10136	2.1
159.11732	2.9
179.14328	2.6
184.07408	1.9
190.17139	2.3
219.25021	2.0
239.41437	1.9
243.08423	2.2
291.19452	4.4
317.20901	3.3
535.28809	16.6
649.45319	3.9
822.36078	2.6
829.34528	3.4
829.50543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	2.2
61.02911	11.1
67.05492	3.6
69.03416	3.1
71.08613	2.9
73.02892	4.3
76.62624	2.2
77.40558	2.0
79.05466	3.7
81.03428	2.8
81.07047	3.9
83.08595	2.0
85.02896	11.2
86.09701	3.3
91.03934	5.4
93.07009	2.5
95.08585	4.2
97.02878	14.7
103.49384	2.1
109.10160	3.7
116.69080	2.2
124.74015	2.1
137.42003	2.3
150.94403	2.4
184.07291	3.0
201.39348	2.2
235.34962	2.9
236.14938	5.0
239.23521	2.6
295.45428	2.3
375.64270	2.7
405.13660	10.0
413.17664	4.6
473.30118	2.4
497.30438	5.5
575.22632	4.2
581.38092	2.5
583.56335	2.2
659.35876	3.3
830.49841	2.9
831.32025	4.1
831.46771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08203	0.3
61.02915	6.4
67.05493	8.2
69.03415	4.8
69.07047	2.6
71.04986	0.5
73.02901	5.2
79.05470	6.4
81.03426	2.1
81.07039	7.3
83.04962	0.6
83.08591	0.6
85.02892	8.0
85.03367	0.5
87.04481	0.3
91.03940	4.0
91.05456	4.3
93.07019	7.1
95.04979	1.3
95.08582	5.1
97.02868	5.8
97.06496	0.3
99.04453	1.4
101.02356	3.2
105.07009	3.0
107.08584	2.9
108.78466	0.3
109.02908	0.5
109.06506	0.5
109.10148	1.8
115.03909	0.5
115.89156	0.3
117.07024	0.7
119.08582	1.7
120.94804	0.3
121.10126	2.5
123.11678	0.3
127.03912	2.0
131.08588	1.9
133.10136	1.5
135.11711	1.4
140.29550	0.3
145.04996	0.3
145.10158	1.4
147.11732	0.5
157.10030	0.4
176.22601	0.3
176.78882	0.3
184.07320	0.5
185.04227	0.6
203.05273	0.6
243.08340	4.2
333.20380	3.2
335.25998	0.5
352.22559	0.3
439.19446	0.5
453.21017	1.3
519.29156	7.7
551.28223	5.4
594.05267	0.3
829.50580	100.0
830.51050	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.7
67.05501	6.4
69.03419	3.5
69.07064	2.3
71.01329	0.4
71.04998	0.4
73.02907	5.4
79.05482	7.3
81.03410	2.3
81.07043	6.1
83.08591	0.3
85.02900	6.1
86.09708	0.5
87.04480	0.3
91.03954	3.9
91.05463	6.8
93.07032	9.6
95.04971	1.6
95.08598	4.4
97.02875	6.4
97.06539	0.5
99.04459	1.4
101.02369	2.3
105.07012	6.8
107.08578	4.3
109.02874	0.5
109.10166	1.5
117.07026	1.3
119.08567	3.8
121.10120	2.8
127.03899	2.7
129.05446	0.3
129.07011	1.4
131.08560	2.1
133.10115	3.3
135.11641	1.9
143.08595	0.5
145.04976	0.4
145.10143	1.8
147.11703	1.3
149.13243	0.6
157.10107	0.3
159.11687	1.3
161.13263	1.2
171.11722	0.5
173.13312	0.4
175.14886	0.4
184.07379	1.4
185.04230	1.8
185.13283	0.3
199.66586	0.4
201.03825	0.5
203.05240	0.5
207.07982	0.4
232.68729	0.3
241.06885	0.4
241.19490	0.3
243.08377	6.1
254.94226	0.3
259.20581	1.3
266.17664	0.3
301.09012	2.2
315.10651	1.3
317.21048	1.8
341.12180	0.4
373.10989	0.6
373.23495	0.4
385.18393	0.7
415.24734	0.4
465.20480	2.2
495.22043	0.6
525.23108	1.8
535.20563	0.5
535.28705	15.3
536.29443	0.4
607.30634	2.2
621.32623	0.3
691.37494	0.4
741.33234	0.3
829.50598	100.0
830.50885	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	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.0
61.02918	6.1
67.05498	22.4
68.05827	1.1
69.03426	2.6
69.07053	7.8
71.04983	1.2
71.08620	1.1
73.02917	2.1
73.76164	1.0
79.05480	15.8
81.03403	5.0
81.07048	20.7
83.04990	2.4
83.08612	5.0
85.02908	5.9
91.03938	1.2
91.05466	10.8
93.07029	14.6
95.04969	4.3
95.08594	13.7
97.02885	2.0
97.06527	1.5
97.10179	2.0
101.02386	1.1
105.07031	8.9
107.08596	9.9
109.10161	6.2
117.07041	4.2
117.52703	1.0
119.08562	5.0
121.10157	4.1
123.11715	1.5
129.06961	1.2
131.08559	2.4
133.10150	4.3
135.11703	2.4
145.10141	1.4
149.13258	1.9
159.11690	1.9
181.44707	1.0
214.85324	1.1
243.08562	2.1
261.22031	1.3
269.17484	1.8
331.18835	1.8
335.25684	2.6
336.26147	1.8
337.27472	1.6
349.23834	1.4
519.29095	5.1
529.38983	7.2
530.39624	4.6
549.26501	2.4
611.46564	2.1
629.47723	1.9
827.48987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.5
65.45764	2.0
67.05478	13.0
69.07046	4.2
72.43581	1.9
73.02884	2.9
79.05491	5.5
81.07029	5.7
82.18182	2.8
85.02859	5.2
87.08398	2.2
91.05444	3.4
91.13055	2.4
93.07004	4.7
95.08581	4.5
97.02859	3.9
105.06997	3.8
107.08591	2.6
109.10142	2.7
184.07347	3.7
333.20258	4.4
366.61847	2.4
519.29114	3.4
551.27905	11.2
828.47589	3.7
829.50470	100.0
830.49677	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	9.5
67.05500	16.9
69.03427	4.9
69.07056	6.6
70.86285	0.8
71.04975	1.1
73.02927	4.3
78.20276	0.8
79.05480	11.1
81.03422	3.8
81.07037	18.5
83.04977	2.2
83.08612	3.3
85.02907	7.5
88.63558	0.8
89.08801	0.9
91.03951	4.4
91.05472	10.5
93.07029	10.8
94.07408	0.9
95.08596	11.8
97.02898	6.7
97.06516	0.9
99.04428	1.2
105.07024	6.1
107.05025	1.2
107.08602	7.0
109.10179	4.0
117.07018	1.5
119.08609	3.9
121.10114	3.3
125.09676	0.9
127.03925	1.2
131.08626	1.9
133.10139	4.0
135.11720	1.2
145.10204	1.8
147.11717	1.5
149.13268	1.2
166.37738	1.0
184.54985	1.0
202.19870	0.9
213.05853	0.9
243.08421	2.1
269.17566	1.6
313.17850	0.9
331.18906	4.0
337.27472	3.7
341.63577	0.9
349.23608	1.1
451.19467	1.0
503.37155	1.1
519.29755	6.3
531.24609	1.2
531.40527	3.2
532.40515	2.0
549.26428	1.6
587.02985	1.0
587.13397	1.1
612.46936	1.4
729.41907	3.5
809.46777	6.4
827.49005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	16.8
68.87507	4.2
69.07063	4.8
71.08630	4.6
78.44529	4.1
79.05479	21.7
80.32975	4.2
81.07022	8.7
85.02914	5.8
86.35034	4.3
91.05482	8.4
92.09388	17.5
93.07016	8.6
95.08585	7.2
107.08601	5.0
108.70017	4.0
115.33480	4.5
119.08598	4.6
119.50902	4.7
126.78128	4.0
135.11681	4.9
301.43527	4.2
307.12167	4.9
346.11176	4.7
436.69501	5.0
668.73297	5.7
727.86133	5.3
827.48962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.7
67.05491	6.0
69.03400	2.6
69.07055	3.1
71.01354	0.3
71.04997	0.3
73.02892	4.3
75.67259	0.3
79.05479	5.4
81.03410	1.9
81.07038	5.1
83.08615	0.6
85.02893	3.6
87.04446	0.4
91.03934	2.9
91.05458	6.3
93.07021	6.6
93.07565	0.4
95.04967	1.3
95.08582	3.7
95.43510	0.3
97.02875	4.2
97.06520	0.6
99.04443	0.5
101.02367	1.5
102.40742	0.3
105.07010	6.4
107.04964	1.7
107.08566	2.8
109.10181	1.5
117.07027	1.4
119.08562	3.2
121.10149	1.7
127.03921	1.5
129.07014	0.3
131.08580	2.1
133.10101	3.6
135.11685	1.4
145.10149	1.8
147.11693	1.7
149.09619	0.7
149.13377	0.4
157.09962	0.3
159.11676	0.7
161.13283	0.6
168.79764	0.3
173.13263	0.4
179.14294	0.7
185.04230	0.6
202.43555	0.3
205.50551	0.3
229.14378	0.5
243.08412	4.6
248.12103	0.4
259.20569	0.3
275.20178	0.6
301.09076	1.7
313.27408	0.6
315.10608	0.7
315.19199	7.0
317.20792	0.4
355.22534	0.4
371.21909	1.5
373.23657	0.4
419.79446	0.3
429.17868	0.4
465.21124	1.1
467.37695	0.6
533.27161	10.2
535.28577	7.1
605.29749	1.3
788.02356	0.3
827.48999	100.0
828.48926	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.2
67.05503	7.1
69.03426	5.3
69.07063	1.4
73.02913	5.3
79.05479	8.3
81.03419	1.7
81.07051	9.6
85.02912	6.7
86.88155	1.1
91.03950	2.8
91.05472	2.3
93.07040	8.3
93.61292	1.2
95.08625	6.5
97.02905	6.2
101.02399	1.1
105.07024	1.4
107.08608	4.7
109.10162	2.1
119.08608	2.0
121.10145	2.7
135.11716	1.5
135.17337	1.5
145.10126	1.6
161.49396	1.4
243.08464	2.1
264.95096	1.3
331.18878	6.3
372.64716	1.4
519.29425	6.0
549.27118	5.2
772.09680	1.5
827.49078	100.0
828.49268	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	826.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62562	2.2
67.05496	64.8
69.07050	25.5
70.34009	2.4
71.08595	3.1
73.02861	3.3
79.05480	50.4
81.07049	58.8
81.82439	2.2
83.04971	2.9
83.08601	9.8
85.02840	2.6
85.42322	2.0
91.05462	48.9
93.07021	50.1
95.04948	5.1
95.08598	42.2
97.06513	3.4
97.10160	3.2
105.07018	43.1
107.08575	26.4
109.10147	21.4
111.08178	2.3
117.07021	20.4
119.08579	35.7
121.10130	18.3
129.06975	15.2
131.08575	29.2
133.10129	26.8
135.11705	9.8
141.15349	2.2
143.08531	16.2
145.10133	26.0
147.11682	12.8
149.13234	4.4
155.08548	4.5
157.10136	20.2
159.11685	16.6
161.13234	9.4
169.10115	10.5
171.11681	13.0
173.11833	2.5
173.13225	11.7
175.14838	3.6
177.39302	2.4
181.10141	3.4
183.11670	3.0
185.13234	4.4
187.14795	3.7
197.13161	3.0
199.14824	3.1
205.31444	2.7
213.16301	3.5
216.00606	2.9
229.14331	9.1
257.18762	3.5
259.20697	3.8
313.27301	8.6
333.24277	2.9
335.25797	2.7
337.27588	3.3
390.91995	3.0
451.95273	2.7
467.36832	9.0
519.42120	5.0
593.45593	10.1
611.37183	3.6
611.46655	100.0
773.51099	3.6
812.44958	3.0
826.47992	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	826.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.9
64.34303	3.0
67.05499	34.9
69.03405	4.9
69.07050	40.4
71.08601	30.8
73.02896	3.1
79.05476	47.2
81.03394	4.9
81.07039	50.0
83.04961	5.5
83.08597	16.9
85.02900	6.3
85.06554	3.8
85.10172	12.5
90.38538	3.4
91.05461	42.9
93.07005	30.0
95.04929	11.1
95.08584	40.4
97.02886	4.9
97.06504	5.3
97.10144	12.2
103.07394	3.1
105.07005	27.4
107.04925	5.7
107.08577	19.5
109.10155	19.9
115.05450	5.5
117.06991	36.1
119.08547	18.0
120.48384	3.1
121.10098	5.6
123.08054	6.2
129.07010	21.9
131.08527	29.6
133.10133	4.9
135.08005	6.4
135.11694	3.5
141.07001	17.9
143.08522	13.7
145.10124	12.3
147.08092	3.9
154.07689	3.6
155.08527	15.0
157.10158	6.5
159.11679	5.4
163.07793	4.5
169.10100	7.2
171.11494	3.5
183.11664	13.2
185.09689	3.7
187.11069	5.3
197.13272	4.1
223.13112	6.8
236.14735	4.4
280.72266	3.7
281.18875	4.2
286.89963	3.3
291.19476	48.1
293.17505	12.5
294.13025	3.4
299.20120	4.5
313.27371	100.0
339.28864	30.3
365.23138	18.9
373.23657	5.0
464.32919	3.1
517.38812	3.4
531.40137	29.8
611.46558	4.2
629.47583	45.1
783.97827	4.2
826.51660	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	826.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.7
61.02917	18.5
65.64130	1.1
66.24560	1.0
67.05494	79.7
68.85030	1.2
69.03429	2.3
69.07053	7.5
71.04986	1.7
71.08617	26.3
73.02911	6.0
79.05470	4.8
81.07042	22.9
83.08615	14.4
85.02887	20.4
85.06544	1.7
85.10168	15.7
87.39095	1.1
89.06023	1.5
91.03926	10.7
91.05486	7.6
93.07027	4.5
95.08588	22.8
97.02328	1.0
97.02881	9.8
97.10167	4.9
105.07001	1.9
107.08598	1.9
109.10146	89.1
111.08089	1.5
117.06971	1.4
119.08569	7.3
121.35014	1.1
123.11710	4.2
137.09555	1.8
145.04964	1.5
154.07675	1.2
155.10664	2.3
163.06035	1.6
173.11713	22.6
184.07405	2.0
189.05914	1.0
229.14330	63.8
239.23625	1.5
312.54947	1.2
313.27322	77.1
381.73587	1.2
467.37262	100.0
468.37607	2.0
826.46722	4.3
827.48279	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	826.567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89876	2.4
63.87923	2.4
65.03929	2.8
67.05495	98.3
68.16536	2.1
69.03412	6.3
69.07056	38.7
71.04984	4.0
71.08592	3.4
76.21147	2.2
79.05476	57.5
81.03402	5.8
81.07041	100.0
83.04973	2.8
83.08632	19.2
85.02885	5.1
91.05457	43.1
93.07031	54.2
95.04917	9.2
95.08585	58.1
95.09126	3.9
96.08918	2.5
97.02882	3.1
97.06505	10.1
97.10100	3.8
99.08054	3.0
105.07009	34.8
107.04901	2.9
107.08590	32.5
109.06533	3.8
109.10130	21.0
117.07003	12.4
119.08566	25.7
121.10120	16.2
123.11704	9.4
129.07004	3.3
131.08554	15.7
132.08815	2.5
133.10106	15.4
135.11691	6.0
143.08525	3.7
145.10107	11.5
147.11670	9.9
149.09529	3.0
159.11723	4.2
161.13292	3.6
171.11794	2.9
173.13304	2.6
175.14864	3.0
184.07364	3.1
192.31226	2.4
255.15742	3.8
269.17413	10.7
275.19968	12.0
299.65021	2.8
336.26205	3.3
337.27310	49.7
349.23584	5.3
466.52380	2.8
517.38733	10.3
531.40222	45.3
611.46375	15.0
629.47723	3.0
631.94086	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.4
67.05491	6.8
69.03421	1.4
69.07056	6.1
73.02908	3.1
79.05476	6.5
81.03413	2.4
81.07037	6.6
83.04951	0.7
85.02889	3.5
91.05464	7.7
92.09309	2.6
93.07027	6.4
95.01273	0.7
95.04961	2.4
95.08035	0.8
95.08575	5.4
97.02880	3.4
97.06530	1.3
97.10165	0.8
99.34821	0.6
101.02367	1.2
105.07003	6.4
107.04922	2.2
107.08611	3.6
109.02892	0.6
117.07005	1.3
119.08549	4.4
131.08568	2.6
133.10152	3.9
145.10139	1.3
147.11745	0.8
149.09589	1.3
159.11688	0.9
164.27309	0.7
171.11578	0.8
174.57458	0.7
179.14290	1.4
187.11365	0.6
243.08406	3.9
256.09164	0.7
275.19949	0.9
315.19208	6.9
335.25656	0.8
371.22064	1.5
533.27167	20.0
825.47412	100.0
826.48090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.7
67.05495	18.3
68.05836	1.1
68.66317	0.4
69.03422	5.3
69.07053	8.0
71.04950	0.6
73.02895	5.7
79.05478	17.4
80.05840	0.7
81.03410	3.3
81.07045	18.1
81.07528	0.6
82.07381	0.7
83.04974	1.2
83.08604	5.2
84.16586	0.4
85.02895	5.3
85.06541	0.6
86.28519	0.5
87.04458	0.6
91.03938	2.4
91.05457	10.7
93.07024	15.8
94.07346	0.8
95.04971	3.0
95.08589	11.2
96.08927	0.6
97.02887	6.6
97.06512	2.8
97.10155	4.4
99.04430	0.7
101.02374	2.0
105.07025	9.2
106.07333	0.8
107.04916	1.7
107.08585	11.2
109.02884	1.0
109.06526	2.2
109.10160	4.7
115.05508	0.7
117.07001	3.9
119.08554	8.4
121.10111	5.3
122.70547	0.6
125.09666	3.2
127.03939	2.7
129.07004	0.6
131.08566	4.5
133.10126	5.0
135.08022	1.0
135.11719	2.6
143.08585	0.8
145.10153	3.4
147.11729	2.3
148.11986	0.5
149.09610	1.2
149.13292	0.9
157.10127	0.5
159.11699	1.2
159.92986	0.5
160.12039	0.7
161.13251	0.8
163.11172	0.6
173.13274	1.2
183.11711	0.8
185.04190	0.8
187.14859	0.6
189.11400	0.7
205.65063	0.5
239.17957	0.8
243.08458	2.1
257.19229	0.9
261.22110	0.5
275.20062	3.0
329.17209	18.9
335.25803	9.7
336.26138	4.2
349.23831	2.7
519.29401	5.1
547.25372	2.2
549.27350	0.6
609.44824	5.6
610.45203	7.5
627.45691	0.9
628.46643	1.3
825.47473	100.0
826.48315	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.4
65.03934	2.9
67.05499	99.3
69.03412	5.9
69.07058	36.8
71.04977	4.4
73.02882	2.8
79.05476	82.6
80.57313	2.0
81.03395	8.9
81.06593	4.5
81.07043	89.7
83.04952	11.9
83.08598	11.2
85.02888	10.1
91.05463	84.4
93.07027	100.0
95.04955	16.3
95.08592	70.6
97.02873	3.5
97.06496	5.7
97.10166	2.9
99.08106	2.9
105.07020	58.1
107.04942	3.1
107.08592	49.8
109.06506	5.3
109.10121	16.5
111.08105	3.4
117.07031	25.5
119.08566	43.3
121.10138	33.3
123.08000	2.7
125.00051	2.7
127.03905	2.5
128.06233	3.0
129.07008	10.2
131.08551	25.2
133.10124	29.1
135.11670	16.4
143.08549	12.1
145.10106	20.8
147.11697	25.5
149.09633	3.2
149.13216	10.2
157.10056	9.2
159.08028	3.1
159.11691	14.5
159.20819	2.4
161.13222	12.6
171.11674	5.5
173.13150	4.8
180.95621	2.4
185.13231	5.2
187.14510	2.6
199.14915	3.4
202.93074	2.5
241.19490	4.7
259.20554	15.9
261.22049	5.8
269.17358	4.1
275.19943	11.2
293.21091	14.1
333.24216	14.4
335.25790	53.2
349.23965	4.8
350.39487	2.9
425.05710	2.4
503.90469	3.3
529.38776	28.5
593.45172	4.4
611.46777	20.8
627.45685	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	825.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.0
66.95380	0.7
67.05493	20.6
68.05846	1.0
69.03423	2.9
69.07074	9.6
73.02904	3.2
79.05476	18.5
81.03416	1.3
81.07037	21.1
81.07459	1.0
82.07386	1.1
82.22730	0.6
83.04981	1.1
83.08604	6.2
85.02872	4.9
85.06552	0.9
91.03958	2.9
91.05467	13.8
93.07021	16.6
94.07420	0.9
95.04958	4.4
95.08594	12.2
97.02893	4.8
97.06538	1.6
97.10126	8.6
101.02373	1.2
105.07009	12.2
105.71744	0.9
107.04922	1.2
107.08574	12.4
108.08904	0.7
109.06499	1.0
109.10170	4.3
115.03967	0.8
117.07016	3.9
119.08574	11.2
119.51303	0.6
121.10158	4.9
123.11699	1.0
125.09585	5.7
127.03925	1.2
131.08517	5.3
133.10100	5.6
135.08060	2.7
135.11711	3.7
137.09650	0.9
143.08609	1.1
145.10133	4.6
145.64633	0.7
147.11732	3.5
149.09624	3.2
159.11674	3.5
161.13275	0.9
163.11148	1.4
179.19232	0.7
189.11221	1.7
218.20692	0.7
227.12788	4.5
243.08473	2.8
275.19931	6.0
276.20425	1.3
329.17096	11.9
335.25757	9.7
336.26224	3.1
349.23636	7.8
350.24161	1.7
363.05811	0.8
367.25058	1.2
385.19650	0.8
519.29248	3.8
547.25378	5.8
609.44836	8.6
610.45459	10.1
627.46826	1.4
628.46344	1.3
667.30634	0.8
705.74316	1.0
755.07477	0.9
762.29950	0.8
787.41858	0.7
825.47461	100.0
826.47675	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.6
62.05136	1.1
65.03921	5.6
67.05492	100.0
69.03407	7.8
69.07053	40.7
71.04974	5.5
71.08615	1.3
79.05473	82.2
81.03388	7.9
81.07035	90.9
81.71568	1.2
82.75694	1.4
82.84233	1.3
83.04952	8.9
83.08600	19.0
85.02894	5.8
85.06516	2.1
91.05458	64.7
93.07019	82.7
95.04935	17.1
95.08002	2.9
95.08582	55.9
97.02863	3.1
97.06533	9.7
97.10140	14.1
99.08054	1.7
103.05413	1.4
105.06279	1.7
105.07011	51.6
107.04919	8.4
107.08582	54.6
108.23306	1.1
109.06498	9.3
109.10126	24.3
111.04456	1.7
111.08078	2.4
115.05392	1.7
117.07005	21.0
119.08556	38.6
119.59872	1.3
121.06481	3.1
121.10124	25.6
123.08066	2.4
123.11665	7.2
124.97184	1.3
125.09611	11.5
129.06976	7.0
131.08557	23.1
133.10112	25.3
135.08037	6.8
135.11674	17.6
140.92038	1.5
141.07013	1.8
143.08533	8.5
145.10097	21.6
147.11682	16.2
149.09605	11.5
149.13246	8.2
155.08476	2.9
157.10107	6.3
159.11687	16.0
161.13242	6.8
163.11160	6.5
169.10028	2.2
171.11688	5.7
173.13235	5.5
177.12711	2.1
179.14285	1.5
183.11661	2.8
185.13248	2.8
187.11234	1.9
189.11227	5.4
197.13293	2.2
199.14870	1.6
201.12515	1.4
201.85291	1.4
204.92299	1.4
211.11400	1.6
227.12817	14.3
229.19505	3.3
234.97200	1.3
236.51662	1.4
239.17897	5.6
247.20653	2.2
257.18881	3.2
261.22052	8.1
269.17413	6.4
275.19958	24.0
293.21085	2.1
317.24649	1.9
331.22455	2.2
333.24026	2.1
335.25772	62.6
337.42136	1.5
349.23685	32.4
367.24774	2.8
489.35513	2.3
515.36987	3.0
529.38574	12.2
552.30988	1.8
569.42102	3.3
609.45068	59.8
627.45782	8.4
766.18958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17592	0.8
61.02908	2.2
61.28242	0.9
65.03920	2.2
67.05494	100.0
69.03410	10.7
69.07056	34.1
71.04971	6.6
73.02894	1.2
79.05478	73.8
81.03398	10.7
81.07040	95.1
83.04969	11.7
83.08596	13.4
83.65428	0.7
85.02887	5.4
85.06532	1.5
85.63622	0.8
91.05464	57.7
92.08662	3.3
93.07026	76.7
94.47245	1.0
95.04951	15.0
95.08588	57.4
97.02864	5.2
97.06518	12.6
97.10130	4.6
99.04404	1.3
99.08044	1.3
103.05450	1.2
105.04492	1.6
105.07011	44.8
107.04938	7.0
107.08582	42.7
109.06482	6.2
109.10140	17.4
111.08047	4.4
113.09605	1.4
117.07006	21.5
119.08557	29.3
121.06470	2.3
121.10110	24.2
123.08076	1.6
123.11683	6.4
125.09605	1.8
127.03839	1.6
129.06982	4.7
130.07779	1.6
131.08562	22.9
133.06479	1.1
133.10126	22.8
135.08046	1.8
135.11661	17.7
137.09604	2.0
141.06949	1.4
142.07736	1.2
143.08525	6.7
145.10112	14.1
147.08041	1.6
147.11671	10.7
149.09549	7.4
149.13266	9.8
155.08511	1.8
157.10085	6.0
159.11679	11.4
161.13190	4.1
163.11108	4.3
163.14726	1.9
169.10036	1.6
171.11642	4.4
173.13228	5.1
177.12651	2.0
179.14236	1.2
183.11652	1.7
185.13127	1.5
187.14911	1.6
195.13742	3.6
197.13185	1.6
227.12622	1.1
229.14331	1.9
243.21031	1.1
255.15877	7.6
257.18985	1.4
261.22119	6.7
269.17401	23.1
275.19998	15.8
309.20523	1.8
333.24255	1.8
335.25751	71.7
348.14920	1.1
349.23660	17.4
367.24973	1.7
388.22134	1.1
393.56866	1.0
413.21243	1.2
493.27399	1.2
515.37384	19.0
529.38782	64.3
530.38788	1.2
547.39899	1.3
563.24323	1.1
569.41919	7.9
609.44977	21.1
627.46198	8.7
665.32367	1.2
776.90247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.4
59.20174	1.0
61.02913	1.8
63.64822	1.1
65.03904	4.8
67.05492	89.9
69.03439	8.5
69.07052	24.3
71.04974	2.8
73.58173	1.0
75.09780	1.0
79.05473	100.0
81.03388	7.4
81.07038	84.2
82.07394	1.0
83.04964	7.9
83.08604	27.7
85.02895	5.1
85.06507	2.4
91.05457	50.0
91.52498	1.0
93.07022	73.9
95.04935	12.3
95.08583	51.1
97.06504	6.1
97.10150	57.6
99.04438	1.3
103.05460	1.4
105.07014	47.3
107.04914	9.7
107.08575	88.2
109.02880	1.9
109.06502	10.5
109.10141	27.2
111.08067	5.9
112.64445	1.1
114.03188	1.3
117.06981	17.4
119.06043	1.7
119.08559	30.2
121.10125	25.8
123.08073	1.2
123.11661	5.3
125.08727	2.1
125.09607	42.7
127.03873	4.2
129.06975	6.2
131.08537	27.5
131.48366	1.2
133.10117	22.0
135.08026	10.9
135.11655	19.0
137.09541	1.6
143.08519	7.3
143.10608	1.4
145.10107	25.2
147.11685	19.4
148.87639	1.1
149.09601	7.0
149.13210	7.7
153.09100	2.2
155.08522	2.0
157.10071	2.7
159.11646	11.2
160.73718	1.2
161.13237	6.7
163.11252	1.6
163.14766	2.6
169.10109	2.2
171.10185	1.3
171.11656	6.4
171.80534	1.0
173.13197	7.7
175.14722	1.2
179.25214	1.3
183.11542	2.3
185.13203	5.4
187.14792	1.9
189.11166	22.4
195.11752	1.1
197.13223	2.2
227.12715	38.5
239.17876	1.3
241.19662	1.5
243.21030	2.0
250.49559	1.1
252.47321	1.2
257.18954	5.1
259.20462	5.1
261.22128	14.0
274.18509	1.1
275.20010	27.4
277.21591	1.4
279.32205	1.2
291.19571	5.0
292.19687	5.2
331.22476	2.3
335.25723	68.6
335.29773	2.6
336.25864	1.6
349.23630	33.3
351.25259	2.7
378.85440	1.2
389.17941	2.2
448.91504	1.2
487.33798	2.3
505.35110	15.0
535.41620	1.6
608.43896	1.3
609.45001	84.5
626.44720	2.2
627.45636	15.8
633.43445	1.5
649.39203	2.6
761.63672	1.4
825.46729	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.1
67.05495	63.0
67.32436	2.0
69.03391	2.3
69.07059	21.6
71.04991	2.7
74.75462	1.9
79.05473	59.0
81.03378	2.3
81.07040	60.4
83.04962	2.4
83.08624	8.4
91.05460	62.4
93.07020	68.7
93.07562	3.3
95.04963	10.2
95.08582	43.1
97.10179	4.2
99.77409	2.1
103.05416	2.3
105.07022	69.5
107.04954	3.3
107.08578	31.0
109.06523	3.1
109.10162	14.4
115.05435	2.5
117.06989	35.9
119.08562	49.6
121.10132	20.8
123.11700	2.7
128.06223	5.0
129.06973	19.9
131.08546	37.8
133.06561	2.6
133.10104	23.5
135.11688	12.5
141.06990	5.0
142.07758	3.1
143.08548	22.7
145.10120	30.2
147.11644	21.2
155.08492	15.0
157.10127	16.6
159.11642	16.7
161.13254	9.3
167.08623	2.9
168.09306	2.5
169.10210	16.1
171.11626	16.1
173.13246	9.6
175.14835	2.7
181.10159	9.0
183.11610	15.3
184.07414	2.3
185.13240	11.7
187.14777	3.9
192.47450	2.0
192.96466	2.0
195.11610	4.7
197.13255	11.7
199.14822	4.8
209.13284	4.6
211.14850	3.5
213.16464	3.4
221.13177	3.0
225.16414	3.1
237.16278	4.1
239.17854	2.8
245.63358	2.3
253.19432	2.2
257.18997	4.8
259.20615	2.9
325.78839	2.2
333.24344	4.1
335.25854	2.6
349.23938	2.5
374.26001	2.5
468.56125	2.1
517.40381	9.7
535.40875	3.9
591.43878	8.6
609.45068	100.0
771.49866	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01337	2.0
67.05496	63.2
69.07050	20.6
71.05016	2.5
71.08620	20.7
71.25598	2.1
79.05477	55.8
81.03409	3.8
81.07041	58.0
83.04927	2.5
83.08608	9.6
91.05467	54.2
93.07024	75.3
95.04955	15.3
95.07363	2.1
95.08582	45.1
96.13374	3.0
97.06515	10.8
97.10160	2.9
99.08092	11.4
101.24696	2.9
103.72577	2.5
105.07014	55.9
107.04944	10.2
107.08572	36.5
109.06529	3.5
109.10153	12.8
117.06986	16.5
119.08567	38.0
121.10109	26.6
123.04394	2.3
123.11687	3.3
129.06989	9.1
131.08528	16.6
133.10123	30.7
135.11642	22.9
143.08582	4.5
145.10123	20.0
147.11691	16.0
149.13278	8.5
151.11160	12.9
155.35121	2.4
157.10162	3.5
159.11644	5.0
161.13248	15.1
163.11220	3.2
171.11659	3.3
173.13188	5.2
175.14851	3.7
179.14287	43.3
185.13283	2.9
199.14833	3.4
209.13484	2.4
233.06873	2.5
241.19485	12.1
259.18063	2.8
259.20483	20.8
275.19907	3.3
277.21515	27.2
315.23135	9.3
333.24164	24.8
335.26147	3.1
349.23889	3.0
351.25241	24.2
609.45087	100.0
613.62079	3.1
627.45880	10.1
636.44464	3.1
828.36932	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.4
64.33643	1.3
64.60723	1.2
65.03925	2.9
65.18831	1.1
67.05492	94.0
69.03416	11.0
69.06715	1.6
69.07058	29.3
71.04968	2.9
76.76924	1.3
79.05473	100.0
81.03400	6.0
81.07037	80.2
81.07380	1.3
81.07531	1.7
83.04959	8.2
83.08597	35.6
85.02877	6.1
85.06519	2.2
88.92600	1.4
91.05463	51.5
92.08660	3.2
93.07024	69.0
95.04961	12.5
95.08591	43.2
95.81300	1.4
97.02870	1.9
97.06487	3.2
97.10152	67.2
103.12650	1.3
105.07011	51.4
107.04922	3.5
107.08581	96.9
109.02844	2.5
109.06491	9.5
109.10146	30.9
111.08057	5.9
117.06986	21.5
119.08555	34.3
121.10134	20.2
123.08105	1.9
123.11654	6.2
125.08730	2.6
125.09608	51.5
127.03880	2.3
129.06937	5.9
131.08533	28.5
133.10107	22.6
135.08025	8.7
135.11661	15.5
137.09615	1.7
141.06978	2.0
143.08546	6.1
143.10646	1.6
145.06471	1.5
145.10107	31.3
147.11646	18.3
149.09586	10.1
149.13255	2.9
153.09050	3.1
157.10085	5.4
159.11676	13.1
161.09583	1.8
161.13222	8.8
163.11172	1.9
169.10037	2.5
171.10153	3.2
171.11636	3.4
173.11806	2.3
173.13228	6.2
181.54636	1.4
183.11684	2.4
185.13264	2.0
187.14751	1.7
189.11159	26.8
197.13243	3.4
201.16275	1.7
227.12743	70.6
243.21021	1.9
257.18967	12.6
261.22168	11.5
275.19965	47.5
331.22604	5.2
333.24200	5.4
335.25739	55.5
349.23685	35.6
351.25153	1.8
367.24826	2.0
369.24188	1.5
389.18033	3.0
441.33536	1.5
487.33783	1.8
505.34933	11.0
609.35309	3.0
609.45007	74.7
627.46173	14.3
649.38751	2.0
825.46448	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	823.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.9
61.13741	1.2
64.53311	1.1
66.91099	1.0
67.05497	6.1
69.03422	1.9
69.48363	1.1
69.98000	1.2
73.02921	5.6
76.39004	1.0
79.05486	6.3
81.07044	2.6
85.02898	2.7
91.03957	2.7
91.05488	5.2
93.07063	5.3
95.08614	3.0
97.02896	6.1
105.07025	1.3
107.08582	1.6
109.10174	1.6
119.08607	1.8
127.03950	1.9
151.98563	1.2
152.78801	1.1
164.01175	1.1
192.30965	1.3
193.36661	1.2
358.98532	1.3
359.51941	1.6
519.29395	4.5
545.30981	7.5
555.76019	1.4
823.53198	100.0
824.53430	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	824.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76410	2.6
61.02909	14.1
61.10133	2.9
67.05492	66.9
67.22307	2.5
69.03416	6.4
69.07052	23.6
71.04977	5.5
73.02904	2.8
74.24824	2.6
79.05475	74.7
81.03400	73.3
81.07033	46.0
82.39080	2.7
83.04972	26.5
83.08607	26.8
83.18037	2.5
85.02885	36.8
85.06544	3.4
91.03947	2.7
91.05466	57.8
92.09313	5.1
93.07030	70.7
95.04948	41.9
95.08599	16.3
97.02885	11.2
97.06502	13.4
97.10141	16.1
98.23524	3.5
99.04396	3.0
101.11633	2.8
105.07004	27.5
107.04945	5.6
107.08575	31.1
109.06483	5.6
109.10117	5.7
110.65133	2.7
111.08064	13.3
113.05989	3.6
115.05410	3.3
117.06997	6.5
118.46053	2.9
119.08572	34.5
121.10116	16.3
123.08102	4.9
125.09599	3.8
129.06993	13.3
131.08562	17.1
133.06493	4.4
133.10117	11.6
135.08090	2.7
135.11673	44.5
145.10124	12.9
147.11690	14.4
149.09584	4.6
153.12714	2.9
157.10139	19.9
163.11160	14.5
165.12686	3.9
175.11174	16.3
181.12238	4.6
193.12222	42.0
211.13242	36.8
255.15862	56.5
267.15833	29.7
285.16821	19.3
287.57321	3.5
327.84418	3.0
447.27335	99.7
465.28430	100.0
508.34726	3.1
572.40503	3.1
819.91064	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
57.03432	12.5
57.07062	1.5
57.11601	0.7
61.02906	1.0
65.03928	1.5
65.81081	0.8
67.05490	67.2
69.03405	11.5
69.07053	38.8
71.04965	3.4
73.02892	0.8
79.05474	54.1
79.75066	0.9
79.84608	0.8
81.03399	6.1
81.07034	57.1
81.81677	0.9
83.04965	5.4
83.08595	9.6
85.02911	1.0
85.06532	1.4
86.09690	3.6
91.05456	36.7
91.05997	1.6
93.07021	53.3
95.01297	1.0
95.04941	12.5
95.08584	39.6
97.02878	11.9
97.06500	4.7
97.10140	15.7
105.07020	21.9
107.04933	7.2
107.08579	26.2
109.06493	5.0
109.10137	17.3
111.08083	2.0
115.05459	1.2
117.07002	10.2
119.04955	1.2
119.08543	20.1
121.06488	3.9
121.10114	15.6
123.08041	3.3
123.11698	1.6
124.99993	3.3
125.09599	7.8
129.06985	3.8
130.07765	1.0
131.08554	16.1
133.06482	4.0
133.10085	9.2
135.08043	3.4
135.11664	8.7
135.39680	0.8
137.09689	1.1
143.08516	2.1
145.10101	9.5
147.08038	7.7
147.11662	4.5
149.09581	1.6
149.13255	5.9
157.10068	1.4
159.11681	3.7
161.09598	2.0
161.13269	1.7
161.84033	0.8
163.14801	1.0
165.09148	1.1
171.11688	1.3
173.13268	1.6
175.11211	1.8
177.12683	1.0
184.07306	10.3
185.13278	1.1
187.11162	0.8
187.14825	1.4
189.11198	3.4
205.12303	1.9
223.13222	23.9
227.12695	1.8
229.36862	1.1
245.19121	1.4
249.14877	4.8
261.22113	7.1
264.60406	0.9
273.18423	10.8
291.19482	96.9
292.19730	1.0
317.24554	2.2
335.25717	80.0
336.26025	1.2
347.22305	1.4
365.23157	41.5
391.10876	0.8
466.13013	1.2
545.38013	4.5
607.43274	3.6
625.44489	100.0
626.44739	3.4
638.42914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	25.3
57.07061	1.8
58.53448	1.6
60.08145	2.9
63.22961	1.3
65.03908	2.7
67.05145	3.0
67.05494	79.9
67.05850	3.4
69.03417	7.8
69.06720	1.8
69.07059	37.5
71.04973	2.2
79.05476	61.0
80.40075	1.4
81.03390	7.6
81.07037	74.1
81.35505	1.4
83.04957	8.8
83.08612	12.0
85.02891	2.2
85.06551	1.7
86.09696	17.1
91.05466	42.7
93.07027	60.3
95.04942	15.8
95.08587	49.1
97.02872	8.5
97.06499	8.2
97.10148	14.9
97.97680	1.6
98.98483	2.1
105.07014	36.2
107.04927	10.2
107.08581	37.2
108.38096	1.7
109.06503	11.1
109.10145	25.0
117.07013	15.3
119.04901	2.0
119.08546	23.5
121.06513	1.8
121.10130	20.4
123.08058	6.5
123.11682	5.9
124.99992	10.7
125.09607	9.4
127.07513	7.3
129.06993	3.5
130.07710	1.7
131.08539	19.5
133.10107	17.8
135.08044	8.0
135.11696	10.1
137.09579	2.0
143.08562	2.0
145.06410	1.8
145.10167	11.9
147.08057	5.5
147.11658	9.2
148.08815	1.6
149.09570	3.7
149.13257	2.4
151.11212	3.3
155.08543	2.1
157.10121	7.1
158.60237	1.6
159.08066	2.0
159.11685	7.9
161.09615	2.5
161.13191	2.3
171.11690	2.1
173.13234	2.4
176.41483	1.3
183.48842	2.2
184.07318	45.1
185.13161	1.6
189.11201	2.8
214.59660	1.6
223.13319	10.5
227.12738	6.9
243.20930	2.2
245.18976	2.0
249.14787	3.6
261.22009	6.0
271.16672	2.2
273.18414	17.3
291.19473	100.0
335.25751	79.6
347.22263	2.0
365.23123	54.7
451.67584	1.6
522.48242	1.7
531.36292	3.0
607.43170	8.3
625.44507	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	12.4
57.07053	2.2
61.02908	1.1
65.03931	2.3
67.05491	100.0
69.03423	7.4
69.06712	1.3
69.07056	23.7
71.04971	5.9
79.04998	1.2
79.05473	68.4
81.03413	7.6
81.07037	87.4
83.04525	1.1
83.04967	18.4
83.08627	11.6
85.02874	4.2
85.06513	6.7
86.09676	1.1
91.04891	2.1
91.05460	68.6
93.07021	69.9
95.04936	17.5
95.08581	43.6
97.02848	2.0
97.06496	6.3
105.04504	1.4
105.07011	59.2
107.04942	7.4
107.08572	51.3
109.06500	11.4
109.10144	66.5
111.08070	2.1
117.06982	12.9
118.08995	1.0
119.04861	1.2
119.08570	22.6
121.06451	7.6
121.10130	19.2
123.08032	4.7
123.11687	9.6
125.09557	1.5
127.07578	2.1
129.06989	5.1
131.08543	17.0
133.06474	2.4
133.10104	60.1
135.08020	5.5
135.11690	9.8
137.09602	2.0
143.08521	4.5
145.10132	13.3
147.08051	4.6
147.11676	5.6
149.09581	5.1
149.13220	4.6
151.11182	22.3
157.10066	2.0
158.07286	1.1
158.96790	1.1
159.11652	5.1
161.09593	4.0
161.13234	4.6
163.11131	1.4
169.12166	2.5
171.11676	1.8
173.13214	2.0
175.11139	1.2
183.11566	1.0
184.07262	1.7
187.14697	1.4
201.12964	1.4
211.14847	1.1
215.12686	1.3
238.28557	1.2
239.89471	1.0
243.21112	1.3
245.18942	1.7
253.14279	62.7
257.18939	1.3
261.22137	7.7
273.18423	12.2
291.19482	15.4
317.24988	1.1
335.25726	65.1
347.22180	1.9
365.23163	23.4
408.22226	1.1
513.35571	6.4
529.35162	2.2
531.36731	28.5
531.44604	1.5
607.43207	5.4
625.44519	74.7
822.49432	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.6
57.07059	1.9
59.39499	0.9
61.02895	1.8
65.03918	2.2
67.05148	2.2
67.05496	62.4
69.03422	11.8
69.06712	1.8
69.07058	33.4
70.32191	1.2
71.04979	2.2
78.72105	1.1
79.05477	48.1
79.76946	1.2
81.03400	8.8
81.06602	2.3
81.07045	49.6
81.07520	1.7
83.04966	6.4
83.08606	12.3
86.09695	2.4
91.05465	28.4
93.06488	2.1
93.07029	44.9
95.04943	13.8
95.08591	30.2
97.02866	10.2
97.06505	4.4
97.10159	14.0
100.79996	1.1
105.06360	1.9
105.07016	26.0
107.04948	8.4
107.08585	24.8
109.06487	2.6
109.10139	14.3
111.08077	1.3
117.07002	10.4
119.04946	1.8
119.08562	20.3
121.06491	5.4
121.10114	15.9
123.08076	4.7
123.11674	1.3
125.09602	8.1
129.06979	2.4
131.08568	14.4
133.06464	5.2
133.10121	9.2
135.08044	2.8
135.11656	7.5
137.09625	2.6
143.08575	2.3
145.10074	6.8
147.08031	5.7
147.11693	5.2
149.13242	5.1
157.10089	2.5
159.11699	4.8
161.13171	1.6
165.09163	1.2
173.13260	1.4
184.07249	8.4
189.11247	2.8
223.13254	18.0
249.14803	5.4
261.14841	1.3
261.22079	5.1
273.18524	12.6
291.19495	100.0
335.25714	45.8
352.02332	1.2
365.23175	34.2
545.37891	1.8
607.42932	1.7
625.44489	59.2
683.09113	1.5
739.92908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	16.0
61.17035	2.7
65.03926	2.8
66.89846	3.0
67.05495	60.7
68.05851	3.3
69.03419	6.3
69.07052	20.8
69.41825	3.2
71.04983	3.9
77.03904	3.5
79.05477	62.4
81.03401	94.6
81.07042	100.0
83.04982	30.3
83.08614	30.0
85.02891	5.8
91.05455	54.9
92.63654	3.5
92.90082	3.5
93.07032	46.2
95.04941	42.9
95.08577	24.1
97.06522	17.1
97.10141	33.8
97.25018	3.4
105.07019	41.8
107.04943	21.9
107.08561	36.7
109.06505	14.4
109.10143	18.3
111.04467	14.7
111.08089	5.6
112.47775	3.5
117.06981	19.6
119.08567	31.5
121.06499	15.8
121.10143	15.8
123.08047	23.6
125.09620	18.5
129.06964	8.7
131.08554	24.3
133.06470	4.7
133.10120	23.0
135.08064	8.1
135.11690	7.7
136.33096	3.6
137.09618	5.5
142.07793	3.5
143.08533	7.1
145.10115	26.7
147.08084	7.0
147.11647	8.1
149.09601	7.5
151.11183	5.1
157.08745	3.3
157.10146	19.3
161.09624	13.5
163.11133	23.4
165.09004	4.0
175.11157	7.2
185.13283	4.9
189.11256	5.3
191.10670	4.4
193.12253	25.2
227.17860	4.3
267.15894	57.4
273.18396	27.0
273.84937	3.2
278.01791	3.5
291.19388	36.5
321.87030	3.2
347.21942	3.9
365.23108	19.7
383.24283	14.1
539.33344	17.1
557.34686	93.3
575.35596	51.8
607.34552	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00102	1.7
57.03430	4.1
67.05492	44.0
69.03403	3.1
69.07039	11.2
79.05052	3.1
79.05478	48.3
81.03393	3.3
81.07043	100.0
81.13163	2.0
82.30493	1.9
83.04955	9.8
83.08614	3.6
85.22701	2.3
89.99249	1.8
91.05454	27.0
92.09401	5.4
93.06506	2.2
93.07034	36.5
95.04943	13.6
95.08588	25.0
97.06490	3.3
97.10161	3.2
99.04453	1.8
102.61893	1.7
105.07018	20.8
107.04945	3.7
107.08595	18.7
109.06509	44.6
109.10150	12.9
111.04427	4.5
117.06978	13.4
119.08541	24.8
121.06494	11.1
121.10134	15.2
123.08038	3.8
125.09578	4.9
129.06989	8.7
131.08543	12.1
133.06476	2.3
133.10110	4.9
135.08060	3.4
135.11638	4.2
137.09557	2.5
143.08551	4.6
145.10103	13.4
147.08031	7.3
147.11661	2.8
149.09599	4.2
159.11662	3.0
161.09587	3.1
163.11145	4.5
169.80493	2.5
184.07254	3.4
189.11223	2.8
236.14806	3.9
249.14731	2.5
256.09671	2.1
273.18573	15.5
291.19522	40.2
335.25732	29.2
347.22278	3.4
365.23120	14.9
607.43347	20.3
625.44421	73.2
693.93713	2.1
740.31354	2.1
768.36029	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	822.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	24.5
59.04989	5.5
61.02906	6.6
67.05496	69.0
69.03417	5.7
69.07041	27.0
79.05473	62.9
81.03384	26.5
81.06596	5.3
81.07043	100.0
83.04978	8.7
83.08611	30.5
85.02921	12.4
87.84718	3.3
91.05473	71.4
92.09202	5.4
93.07027	83.9
95.04955	30.1
95.08601	29.9
97.02869	7.1
97.06509	16.2
97.10166	8.4
99.00791	27.7
99.08079	4.4
105.07011	64.4
107.04967	34.0
107.08571	43.6
109.02891	17.1
109.06525	13.8
109.10143	25.0
111.08081	4.9
117.07023	22.7
119.08560	53.3
121.06493	30.4
121.10144	7.8
123.04405	3.3
123.08062	19.1
125.09590	6.5
127.03928	4.6
128.06212	4.0
129.06996	17.5
131.08545	37.2
133.06470	6.2
133.10101	70.1
135.08023	5.6
135.11697	6.0
137.09618	4.6
139.07532	3.9
143.08578	15.6
145.06445	3.6
145.10117	27.4
147.08041	5.9
147.11676	7.3
149.09618	25.6
150.43379	3.3
151.11166	16.1
157.10158	6.2
159.11597	5.0
161.09601	35.3
163.11198	7.3
171.08099	5.5
179.10695	14.6
185.13258	3.9
189.09087	13.3
199.11188	3.6
207.10143	6.1
209.11758	5.0
225.11206	16.1
273.18515	29.7
281.13834	3.9
291.19400	30.0
299.14841	98.6
309.16107	5.2
347.21979	5.9
383.19882	19.3
401.20770	51.3
571.32263	6.3
589.33490	14.7
607.30060	40.2
625.31213	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	7.2
67.05500	5.3
69.03413	6.0
71.30549	5.0
79.98477	6.6
83.36165	4.4
108.72092	5.8
145.36551	5.5
180.84622	4.8
226.06567	4.9
227.73630	5.0
302.54395	5.5
382.13040	5.6
440.64203	5.0
821.52008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
58.72942	1.2
61.02918	1.6
62.52355	1.2
64.99715	1.2
68.99789	1.8
69.03433	11.7
70.33181	1.1
73.02907	1.4
75.44569	1.3
81.03397	12.7
85.02896	22.1
87.00826	11.7
91.05480	12.9
91.10809	1.4
94.04159	1.7
95.04974	8.0
97.02853	10.0
99.04460	2.6
103.05464	13.3
105.01846	6.1
105.07028	6.8
107.04943	6.7
109.02868	9.6
109.06437	1.5
114.11533	1.4
115.05428	3.1
117.06982	3.1
119.04918	16.6
121.06467	6.4
122.03641	5.7
123.04379	2.2
127.03920	12.2
127.04693	1.4
128.06258	1.7
129.07028	5.6
131.04916	23.5
131.08540	2.3
133.02892	2.2
133.06483	5.2
135.04443	3.1
137.02339	5.5
137.05965	100.0
145.06503	6.5
147.04416	9.9
149.05989	7.8
151.03889	5.7
151.07529	28.9
157.06473	6.0
159.02898	2.8
159.04329	2.1
159.08041	3.2
160.05280	2.1
161.05946	46.8
161.09618	7.3
162.06699	1.7
163.03896	8.7
163.07515	26.2
165.07016	2.2
165.40997	1.6
167.08458	1.9
169.06554	2.0
174.06738	3.2
175.07535	22.6
177.05531	1.8
177.09084	75.6
178.09396	1.4
179.07066	2.5
179.08594	2.5
181.06395	2.1
186.06967	1.4
187.07510	11.0
189.09120	23.4
191.06993	4.8
191.08519	4.8
193.06436	2.7
194.07269	5.0
195.08041	9.1
195.09991	2.6
196.52284	1.4
197.05943	1.8
201.09210	2.1
203.06941	2.0
205.06578	1.7
207.08272	1.8
207.10054	9.7
209.09669	1.7
210.06718	2.4
211.07433	2.4
213.09074	2.2
217.08492	1.7
219.08089	7.8
219.10185	20.3
221.05969	5.5
221.09782	2.2
221.11784	8.2
222.06740	1.5
223.07594	5.7
223.11035	1.7
224.08389	2.7
225.05537	2.3
225.09111	6.3
229.08665	1.5
237.09065	6.9
240.07727	2.3
241.08577	1.9
247.07663	2.6
248.08282	1.9
249.09068	3.1
251.06967	3.3
251.10634	6.6
252.07906	1.5
253.08588	11.7
255.06482	1.9
255.10197	4.7
261.08990	1.7
265.08566	18.2
266.09229	1.6
267.10144	7.7
269.11768	1.8
270.08865	2.6
277.08807	2.4
279.10172	7.3
281.07892	2.6
281.11774	1.4
283.09637	5.7
283.13165	3.2
285.11163	5.7
293.11618	2.0
296.10391	4.9
297.11115	17.5
308.10559	1.6
309.11188	9.7
311.12704	12.3
313.14270	2.3
315.12195	7.0
321.11206	1.9
323.12659	6.7
329.13895	11.3
331.15372	11.9
337.14554	2.3
341.13565	10.0
342.14502	1.7
343.15369	2.8
355.15390	11.3
367.15353	5.8
472.44196	1.5
475.21164	3.4
479.20306	2.9
491.20535	2.2
509.21722	11.6
521.21613	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	820.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	65.6
81.07033	78.1
95.08594	62.2
96.35887	44.1
141.43709	44.9
149.87550	44.3
179.28751	47.7
205.19162	64.3
335.25763	100.0
350.78748	45.4
385.89142	57.0
547.60022	54.2
621.05292	53.8
737.34906	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13167	1.0
64.67479	1.0
67.05486	2.0
69.07052	1.3
79.05473	6.9
81.07034	2.2
85.19598	1.1
87.04493	1.6
89.06024	17.4
91.05456	4.5
93.07033	1.9
95.04958	2.0
103.05472	4.4
105.04561	1.4
105.07016	100.0
114.38198	1.1
121.06478	2.6
131.08528	5.5
131.59744	1.0
133.08548	10.2
136.21378	1.2
147.07915	1.2
177.11160	2.4
184.07381	1.6
204.39972	1.2
225.12669	4.4
251.14275	7.5
264.67990	1.3
329.19077	4.5
373.21454	4.4
536.83765	1.4
595.34747	2.5
623.42407	1.8
725.72009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	14.0
57.06816	1.6
57.07069	32.9
59.04982	2.5
60.08147	8.5
64.33337	1.2
67.05493	58.5
69.03437	2.1
69.07066	14.5
71.07352	2.8
71.08619	21.0
76.06165	1.3
79.05045	2.0
79.05474	24.7
81.06596	2.6
81.07042	51.3
83.04963	3.8
83.08610	19.0
85.02859	2.5
85.10188	13.7
86.09213	2.5
86.09696	44.1
91.05463	22.6
93.07025	24.1
95.04948	6.2
95.08578	33.8
97.02873	1.5
97.06490	2.5
97.10146	8.7
98.98479	2.1
105.07017	18.3
107.04949	2.9
107.08575	17.0
109.06480	2.4
109.10150	35.2
111.08038	1.9
117.06982	7.9
119.08584	22.3
121.10120	3.7
121.40619	1.6
123.11697	2.9
124.99981	38.6
125.09622	7.7
129.06976	2.4
131.08543	9.8
133.10092	11.6
135.11707	3.1
137.09607	2.4
145.10103	6.9
147.11617	2.5
148.00674	1.6
149.09584	2.7
149.13268	2.4
157.10101	1.7
159.08043	5.7
159.11665	2.5
161.09546	2.0
161.13202	1.7
163.11220	1.9
167.56866	1.3
173.11674	7.5
184.07318	100.0
189.11057	1.5
227.12732	8.8
229.14325	25.4
257.18970	1.7
257.24655	2.0
269.17325	12.3
275.20026	10.4
289.17981	2.0
293.20990	1.6
313.27350	53.1
335.25720	3.7
349.23749	6.9
357.85138	1.5
363.21640	3.5
367.24744	9.8
467.37289	21.4
507.40302	36.2
587.46521	20.0
605.47675	12.1
623.42584	9.8
820.55988	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	820.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
58.53074	0.4
68.99783	0.5
69.03413	4.3
73.02901	0.8
79.05478	0.9
80.41026	0.4
81.03407	9.7
85.02892	8.7
87.00810	3.3
91.05450	3.9
94.04163	2.4
95.04985	0.9
97.02879	4.0
99.04428	0.8
103.05440	8.5
105.01873	0.7
105.07045	0.6
107.04893	0.7
109.02850	5.1
115.05440	2.2
117.06944	0.7
119.04951	5.6
119.05724	0.7
121.06511	0.6
122.03609	4.2
127.03892	5.0
129.07004	2.4
131.04909	14.1
131.08621	0.4
133.06488	0.8
137.02324	1.1
137.05960	100.0
138.06262	0.7
138.91852	0.6
142.57201	0.6
143.04898	1.1
144.05743	0.8
145.04968	0.9
145.06471	1.2
147.04340	3.7
147.08058	0.6
149.05989	1.1
151.03897	4.9
151.04932	0.5
151.07533	2.3
157.06476	2.4
159.02892	1.1
159.08090	0.7
160.05206	3.7
161.05959	5.7
162.06773	1.2
163.07510	11.6
166.03201	0.5
173.05902	0.7
174.06796	0.9
175.07512	19.5
177.05464	2.0
178.74817	0.6
179.06992	2.1
179.08475	0.5
181.06444	0.7
184.05130	0.6
187.07507	9.0
189.09019	2.0
191.06961	0.7
199.07491	4.1
205.08582	7.0
211.07536	2.1
217.08588	1.1
229.08655	1.7
235.07584	0.7
235.09587	3.5
241.08490	0.7
259.09595	1.0
265.04941	0.6
267.10095	2.0
291.09830	0.9
321.11316	0.7
323.12650	1.2
332.81604	0.6
335.12891	2.2
347.12689	1.8
362.95145	0.5
365.13901	4.0
395.14801	1.1
448.15079	2.0
487.17017	2.8
501.18866	1.0
519.19690	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	820.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13167	1.0
64.67479	1.0
67.05486	2.0
69.07052	1.3
79.05473	6.9
81.07034	2.2
85.19598	1.1
87.04493	1.6
89.06024	17.4
91.05456	4.5
93.07033	1.9
95.04958	2.0
103.05472	4.4
105.04561	1.4
105.07016	100.0
114.38198	1.1
121.06478	2.6
131.08528	5.5
131.59744	1.0
133.08548	10.2
136.21378	1.2
147.07915	1.2
177.11160	2.4
184.07381	1.6
204.39972	1.2
225.12669	4.4
251.14275	7.5
264.67990	1.3
329.19077	4.5
373.21454	4.4
536.83765	1.4
595.34747	2.5
623.42407	1.8
725.72009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.302
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59496	0.2
64.33714	0.2
79.05473	0.3
81.03406	5.1
81.07059	0.2
85.02871	0.2
91.05468	2.2
92.30412	0.2
92.64439	0.2
94.04126	0.7
95.04926	0.3
97.02875	0.3
103.05448	1.1
105.06999	1.7
109.02877	0.2
109.06519	0.3
115.05459	1.1
117.07021	0.5
119.04939	2.6
121.06440	0.2
122.03624	3.1
127.03783	0.2
128.06200	0.3
129.06993	2.8
131.04921	1.4
133.06435	1.9
135.04404	0.4
137.02362	1.2
137.05962	100.0
138.06288	1.1
143.04913	1.0
144.05698	0.2
145.06477	1.0
147.04385	2.8
149.05980	0.5
151.03870	2.6
151.07504	1.0
157.06467	3.0
160.05167	2.0
161.05962	2.4
162.06735	0.9
163.03856	0.3
163.07527	0.3
172.05144	0.2
173.05904	0.4
174.06726	0.9
175.07520	13.2
177.05455	0.2
177.09038	0.2
179.07004	1.0
181.06444	0.2
185.06041	0.2
187.07516	3.4
188.08321	0.9
189.09039	2.1
199.07509	1.6
205.08578	8.5
211.07491	0.4
217.08574	3.8
220.84795	0.2
225.09138	0.2
227.56456	0.2
235.07393	0.3
235.09596	4.9
257.04486	0.3
259.09674	0.3
263.10690	0.3
267.10126	0.7
285.11023	0.2
291.10364	0.2
294.73065	0.2
297.11063	0.3
323.12686	0.4
335.12640	0.4
341.13519	0.2
365.13766	0.7
440.16089	0.2
462.29510	0.2
487.17441	1.1
489.19095	0.4
507.19998	1.0
519.19904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	15.6
57.07061	3.0
65.87160	2.0
67.05494	100.0
69.07062	29.0
79.05473	73.2
81.07039	89.6
83.04964	4.1
83.08603	12.8
85.02877	2.9
85.06526	4.7
89.71485	2.2
91.05462	76.8
93.07026	66.6
95.04943	5.4
95.08587	75.7
97.06509	4.8
97.10122	3.4
99.01765	2.4
105.06361	3.6
105.07018	60.5
105.48573	2.5
107.08588	33.2
109.06550	2.4
109.10139	24.9
109.60724	2.4
117.07003	26.6
119.08566	45.9
121.10129	32.0
123.11620	4.5
129.06995	12.3
131.08539	36.4
133.10095	37.1
135.11710	16.4
143.08524	11.9
145.10074	19.6
147.11647	17.7
149.13326	2.9
157.10132	2.7
159.11617	11.0
161.09584	3.2
161.13275	4.2
163.15074	2.2
171.11665	14.1
173.13251	4.2
175.14807	5.3
185.13188	8.4
187.14760	3.5
189.16417	3.3
190.60930	2.5
201.16238	3.8
203.18015	20.4
209.47406	2.3
261.22153	3.6
269.22617	16.2
287.23645	20.9
287.26392	2.4
335.25742	96.7
361.27432	20.8
605.16217	2.7
621.48859	3.8
639.49359	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	819.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59351	0.2
59.17540	0.2
62.95531	0.2
65.03922	1.3
67.05505	0.4
67.16542	0.2
68.99764	5.6
79.05465	1.1
80.53007	0.2
83.04971	0.4
85.02874	0.5
91.05453	6.0
93.03313	0.2
94.78980	0.2
95.01316	0.3
95.04939	6.5
97.02868	0.3
103.05439	1.2
105.04475	0.4
105.07028	0.5
107.04935	100.0
108.05235	0.6
109.02870	0.2
111.00798	2.9
111.04412	2.1
115.05412	0.9
117.06985	1.0
119.04916	57.7
120.05268	0.3
121.02846	5.3
121.06470	1.3
123.04403	15.2
127.03876	2.8
129.06975	0.5
131.04887	2.5
133.06458	7.3
135.04382	1.7
137.02289	1.0
137.05957	0.3
139.03879	22.9
141.06970	0.4
143.04866	0.3
145.06464	11.0
147.04384	35.7
149.02316	8.6
149.05945	5.6
151.03885	11.9
153.06898	0.5
155.08498	0.4
157.06458	5.7
159.04372	1.2
159.08038	1.0
161.02341	0.3
161.05942	6.2
163.03860	5.4
165.01793	1.0
165.05385	1.1
165.06842	0.5
167.03363	11.9
169.06436	1.7
171.04356	10.7
171.05739	0.5
171.07974	1.4
173.02315	0.4
173.05934	1.4
175.03914	2.5
176.04721	0.3
177.05418	1.2
179.03363	7.0
181.05008	0.4
181.06374	2.4
182.91133	0.2
183.08029	0.5
184.41016	0.2
185.05942	6.2
187.03847	2.0
187.07527	2.5
189.01775	0.3
189.05437	8.1
190.02563	0.6
191.03348	7.5
191.05109	0.3
191.06905	1.8
193.04918	1.8
193.06349	0.2
197.05952	2.5
199.03758	0.6
199.07513	3.3
200.04518	0.4
201.05457	1.8
203.03348	7.2
203.06921	1.3
205.04936	0.4
209.05977	0.4
211.07440	0.9
213.05417	5.5
215.03401	3.1
215.06920	3.0
216.04179	1.0
217.04900	1.7
223.02324	1.0
223.07538	0.4
225.05420	1.0
227.03499	0.3
227.07013	4.1
229.04909	3.4
231.06479	25.9
233.04449	2.7
235.02287	0.4
237.05466	0.5
239.06984	2.6
241.04840	2.0
242.05685	0.9
243.02864	1.1
243.06467	7.1
244.03600	3.7
244.07123	0.8
245.04384	13.4
245.07935	2.7
251.07220	0.3
253.04849	1.0
254.05579	0.3
254.47217	0.3
255.06438	10.3
257.01688	0.4
257.04355	8.6
257.07971	1.5
258.05255	0.3
259.05966	0.5
265.04834	0.6
267.06458	7.8
269.04346	2.9
269.07648	0.5
271.05893	2.5
273.04419	0.6
273.07510	16.3
274.04636	5.7
275.05408	5.2
275.09036	9.8
279.06421	1.5
281.04272	1.6
281.07669	0.4
283.06006	1.3
285.03867	3.7
285.07465	5.8
286.04831	0.3
287.05450	12.9
287.08951	1.5
290.61899	0.3
291.06390	0.2
293.04294	0.3
295.05902	1.6
297.03745	1.7
297.07431	1.4
299.05453	3.9
303.04868	1.1
305.07919	0.4
307.05923	1.7
309.03882	1.5
309.07358	0.3
311.05487	0.4
313.06970	0.4
315.04852	0.5
315.08463	0.4
317.07535	0.4
321.07394	0.5
323.05450	0.5
323.08939	0.4
325.06915	0.3
331.09576	0.5
335.05322	0.3
335.08966	0.4
337.06683	0.4
339.05258	0.3
345.07379	1.3
349.06888	1.3
349.10815	0.5
351.04794	2.1
359.09042	0.4
361.06900	1.0
363.08624	3.2
367.07855	2.1
373.06830	0.6
375.08566	0.5
377.10199	3.3
379.08160	0.6
379.11572	2.3
380.09018	0.4
381.09686	0.4
391.07996	8.9
393.09827	10.1
401.10031	1.2
403.07874	3.9
405.05252	2.0
405.09799	1.2
409.09064	4.2
411.10635	7.3
415.07962	0.3
417.05652	1.0
419.11041	1.3
421.08871	4.8
421.13452	0.3
423.10400	1.4
433.08969	1.4
435.11026	0.4
485.11853	0.9
499.13248	0.3
503.13083	0.4
509.12186	0.4
511.09976	1.1
527.12817	1.1
529.10712	1.9
539.12915	0.4
541.11157	0.3
545.14313	0.8
547.15857	5.0
647.14661	0.6
652.12030	0.3
665.16187	0.6
683.17926	0.3
810.24078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	23.0
57.07067	51.4
61.02917	3.5
67.05144	3.6
67.05496	59.5
68.32307	2.0
69.03422	5.0
69.07059	36.4
71.04989	3.0
71.08611	33.8
79.05473	50.0
81.03399	12.2
81.07040	100.0
83.04967	22.9
83.08601	32.3
85.02894	3.0
85.10168	18.0
86.09652	2.6
86.26593	2.1
88.57417	2.1
91.05469	34.5
93.07020	36.5
95.04939	24.1
95.08591	51.0
97.02874	3.5
97.06512	4.8
97.10159	37.2
99.04462	3.5
105.07019	30.8
106.45288	2.3
107.04938	14.7
107.08578	32.0
109.06493	14.0
109.10125	21.9
111.04445	14.0
111.08075	11.0
115.05463	2.2
117.07001	16.6
119.04863	2.2
119.08566	24.7
121.06493	9.2
121.10139	12.9
123.08055	29.4
123.11698	4.5
125.09612	34.8
129.06990	10.2
131.08536	22.6
133.06563	3.8
133.10117	13.4
135.08058	13.4
135.11684	14.1
137.09575	3.9
143.08528	4.9
145.10101	24.8
147.08047	15.7
147.11710	10.1
149.09610	3.9
153.12717	4.9
155.08527	2.5
157.10106	10.6
159.11693	3.8
161.09601	5.8
163.11143	21.7
165.09204	3.0
167.08466	2.5
171.11693	9.8
173.09592	3.4
175.11150	3.7
181.12212	11.2
184.07388	4.8
189.11205	18.2
191.10626	4.0
193.12193	3.1
205.12247	2.4
221.89268	2.6
223.13412	2.5
227.12793	19.6
227.17978	3.0
245.19057	3.8
257.24600	4.2
273.18387	31.4
283.15518	3.2
291.19504	65.9
301.78345	2.4
309.20627	9.4
313.27332	81.5
347.22308	4.0
365.23203	38.0
383.24243	28.7
486.72461	2.8
539.39722	3.0
603.46069	57.4
621.47052	66.7
639.16321	2.7
728.79352	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72018	0.3
61.60081	0.4
66.08131	0.4
66.93588	0.3
68.99772	0.9
91.05465	0.7
92.08666	1.0
95.04964	0.5
103.05462	0.5
107.04940	18.3
109.02891	0.5
117.60320	0.4
119.04921	3.9
121.02848	14.1
121.03745	0.5
123.04438	0.7
127.03880	0.6
131.04878	1.7
135.04387	1.8
137.02283	0.7
139.03880	0.9
141.06909	0.8
143.82460	0.4
145.06467	2.7
147.04387	5.9
149.02312	3.7
149.05954	2.2
151.03885	2.7
153.01814	2.3
157.06429	2.1
159.04414	0.6
161.05949	0.6
163.03882	3.4
164.80402	0.4
167.03311	0.7
169.06483	1.6
171.04375	0.6
173.05940	1.9
177.05577	0.5
179.03381	2.1
185.05956	0.8
187.03860	2.5
187.07425	0.9
189.05431	0.6
191.03380	2.6
191.07040	0.7
193.04956	0.6
197.05894	3.3
201.05482	1.8
203.03322	1.8
213.05409	2.0
215.06949	5.8
225.05344	0.8
229.04927	2.3
231.06471	11.0
233.04222	0.7
239.06935	1.7
241.04932	1.8
242.05705	1.9
243.06479	9.1
245.04385	2.1
253.04865	1.7
255.06462	2.5
257.04388	13.4
257.08023	1.7
267.06482	3.2
269.04233	0.6
270.74817	0.4
271.05954	100.0
272.06235	0.7
273.07593	0.8
275.05362	0.7
283.05969	1.5
285.04028	0.4
285.07462	3.4
287.05573	3.7
287.08591	0.6
295.05960	0.8
307.05750	0.6
318.46652	0.5
329.08115	0.5
347.08926	0.4
361.06946	0.6
373.06985	0.7
375.08548	2.3
377.09982	0.5
379.11844	4.2
379.15802	0.4
389.10324	0.5
390.61154	0.5
391.07983	0.7
393.09634	6.1
397.09033	0.8
403.08334	0.4
409.09183	0.4
417.09521	0.7
431.07742	0.6
501.11658	8.7
525.11499	1.6
527.09558	3.6
537.11963	0.5
543.12555	0.7
545.10101	0.6
557.10638	2.0
645.13116	0.5
663.14954	5.5
681.15820	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	816.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	15.5
57.07054	5.7
59.33569	1.1
60.64878	1.0
61.02907	6.6
64.83899	1.0
65.03921	2.4
67.05495	100.0
68.19411	1.0
69.03404	1.7
69.07056	24.6
71.04986	1.5
73.02899	1.2
79.05474	81.3
81.03418	1.4
81.07040	87.9
83.04945	2.0
83.08590	7.4
85.02876	6.2
85.06531	2.1
91.03940	1.3
91.05466	83.8
93.07026	66.1
95.04942	12.3
95.08009	2.4
95.08585	56.5
97.02817	3.4
97.06475	4.8
97.10149	2.8
105.07021	46.9
105.07733	1.5
107.08579	31.3
109.06486	2.2
109.10156	16.9
111.08032	1.6
115.05427	2.9
117.06997	43.9
119.04233	1.1
119.08556	33.1
120.96731	1.0
121.10126	23.9
123.08101	1.3
123.11762	3.9
128.06200	5.3
129.05452	2.0
129.06984	24.0
129.16588	1.1
130.07771	2.7
131.08545	54.2
133.10117	20.2
135.08066	2.4
135.11629	11.6
141.06964	8.6
142.07774	2.8
143.08524	14.6
144.09361	1.2
145.10117	30.6
147.11612	10.1
149.09552	2.0
149.13205	5.0
155.08525	8.5
156.09387	1.5
157.10074	12.6
159.11673	18.6
161.13217	10.2
163.14819	1.4
168.09235	1.6
169.10080	8.6
171.11670	11.0
173.13219	12.1
175.14835	4.8
181.10179	2.4
183.11633	8.3
185.13226	10.1
187.14793	6.6
189.16449	2.0
197.13242	5.9
199.14755	7.5
201.16325	15.1
209.24715	1.5
211.14789	6.9
225.16417	2.4
239.17932	2.0
243.20935	1.8
261.22168	2.5
267.21051	18.0
283.20621	1.2
285.22141	18.5
300.52292	1.2
335.25732	87.6
337.27298	1.7
337.63498	1.3
341.24719	1.4
359.25800	20.7
366.85602	1.5
425.92429	1.1
426.29105	1.5
456.47525	1.3
487.99368	1.2
597.55780	1.2
619.46967	5.0
637.47748	7.2
715.16180	1.5
745.32794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.1
58.15607	1.2
61.53708	1.1
67.05492	35.6
69.03414	1.9
69.07052	6.7
71.04977	19.5
79.05477	52.4
81.03383	2.2
81.07045	25.1
83.04978	3.2
85.06505	1.4
87.04446	6.3
91.05451	21.4
93.07034	24.0
95.04957	8.9
95.08590	33.2
97.06541	1.8
99.04446	8.8
99.58279	1.3
103.05467	5.7
105.07018	100.0
107.04945	24.0
107.08586	9.9
107.41133	1.2
109.06468	2.3
109.10172	7.1
115.05452	8.3
117.07008	23.6
119.08558	7.4
121.06443	1.9
121.10138	8.8
123.08075	8.2
128.06189	7.0
129.05458	2.3
129.06993	11.2
131.05910	1.3
131.08548	11.4
133.06470	33.7
133.10126	6.5
135.08040	2.9
135.11632	2.6
138.82716	1.2
141.06958	1.5
142.07797	1.6
143.08534	15.8
145.06464	2.7
145.10147	3.3
147.04529	1.3
147.08044	1.4
147.11633	2.8
149.13223	1.8
151.07527	55.4
155.08568	1.8
157.06503	1.4
157.10098	9.3
159.11690	2.9
161.09621	2.4
167.08566	5.1
169.08595	29.2
169.09991	3.0
171.08057	1.9
173.08078	7.3
173.13258	1.5
175.11189	2.8
184.07242	1.9
185.09613	15.4
187.11191	2.8
189.09059	7.2
203.10638	11.7
213.09114	6.9
215.10591	1.8
223.22809	1.5
230.94255	1.3
231.10088	12.5
233.11629	5.6
238.48820	1.4
249.11241	7.1
249.92711	1.5
318.59192	1.4
335.25711	35.0
433.29340	2.5
524.16266	1.5
545.03473	1.3
601.14624	1.4
601.37488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	11.4
61.02914	3.0
67.05488	45.7
69.07044	8.9
71.04988	23.3
79.05475	56.6
81.03381	7.9
81.07039	32.4
83.04957	3.4
83.08561	2.3
91.05455	24.8
93.07011	33.8
95.04955	16.4
95.08578	28.1
97.06525	2.5
99.04436	3.8
102.99975	2.0
105.07014	100.0
107.04940	23.3
107.08569	17.3
109.06477	3.1
109.10149	8.0
109.62648	2.2
111.04487	2.9
115.05431	10.9
117.06994	31.4
119.08540	11.7
121.06480	3.3
121.10143	11.1
123.08011	8.1
128.06210	2.1
129.07022	16.8
131.08543	16.9
133.06477	25.2
133.10103	12.1
135.08109	2.7
135.11699	3.8
141.06952	8.1
142.07762	3.2
143.08549	12.0
145.10120	11.5
147.11703	3.6
149.09596	2.4
151.07526	47.6
155.08467	4.4
157.10115	8.9
159.11617	4.5
161.09685	3.6
161.13202	2.3
163.11179	2.6
167.08566	3.6
169.08565	26.9
169.09972	5.8
171.08041	8.5
173.08076	9.0
173.13275	3.3
175.11092	2.9
183.11566	2.7
185.09590	11.5
187.11227	2.4
189.09042	2.9
203.10640	8.9
213.09138	3.3
215.10768	2.2
231.10031	5.2
234.35265	2.4
243.21075	2.8
335.25693	31.0
433.29562	3.9
519.13507	2.1
551.36792	4.2
569.38098	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	816.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.0
57.07071	1.4
65.03906	1.2
67.05493	31.1
69.03408	1.6
69.07048	4.9
71.04971	17.8
79.05478	52.9
81.03403	2.2
81.07040	25.2
83.04970	2.0
87.04461	2.3
91.05462	24.7
93.07031	20.0
95.04942	9.8
95.08587	29.4
97.02869	1.2
97.10193	1.6
99.04432	5.7
100.15501	1.2
103.05448	2.8
105.07015	100.0
107.04944	28.1
107.08584	11.6
109.06471	2.3
109.10139	6.4
115.05434	7.0
116.33011	1.2
117.07005	24.0
119.04925	1.9
119.08553	6.1
121.06470	1.6
121.10124	6.0
123.08047	6.4
123.11700	1.3
128.06168	2.9
129.05432	2.5
129.06987	14.4
131.08549	12.5
133.06479	26.7
133.10098	4.7
135.08070	4.3
135.11633	2.3
141.06981	6.0
142.07759	2.0
143.08551	13.2
145.06461	1.3
145.10150	2.7
149.13324	1.2
151.07529	44.8
155.08461	2.1
157.06450	2.0
157.10110	7.5
159.08134	2.6
159.11690	5.1
167.08484	5.9
169.08609	25.8
169.10001	2.7
171.08031	9.0
173.08113	9.1
173.09462	1.8
173.13182	1.5
175.11171	4.8
185.09561	12.9
187.11134	4.5
189.09065	5.9
189.38226	1.4
203.10619	10.9
213.09149	8.4
215.10597	2.0
231.10168	17.8
233.11545	2.0
243.21202	1.5
249.11142	6.9
249.15759	1.4
261.22168	4.9
285.70633	1.5
335.25745	30.5
351.24872	1.7
433.29459	4.3
748.15308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	24.0
57.07077	2.7
57.42296	2.1
64.77802	2.4
65.03947	3.1
67.05492	55.9
67.86156	2.4
69.03408	4.0
69.07064	26.4
71.04970	5.6
73.02901	3.2
79.05051	4.1
79.05479	88.5
81.03407	57.0
81.06591	5.1
81.07040	100.0
83.04980	30.4
83.08620	20.9
85.02895	58.1
85.06577	4.1
91.05462	88.3
92.08578	5.7
93.07034	55.5
95.04945	36.3
95.08598	30.1
97.02898	5.0
97.06486	19.8
97.10149	23.1
103.05451	11.3
105.07021	79.6
107.04939	43.7
107.08574	36.0
109.06482	20.4
109.10152	6.8
111.04419	17.1
111.08060	6.0
115.05427	13.0
117.07014	44.1
119.04921	4.0
119.08546	41.3
121.06446	17.6
121.10129	27.4
123.08073	23.5
125.09621	13.2
128.06180	13.3
129.06998	56.9
131.04942	3.4
131.08554	41.4
133.06485	40.0
133.10124	18.4
135.08049	21.2
135.11679	6.2
137.06006	2.9
137.09612	15.1
141.06963	13.5
142.07716	3.9
143.08507	20.4
145.06436	5.7
145.10103	25.0
147.08003	15.8
147.11684	6.7
149.09604	18.0
151.07492	3.6
153.06979	3.1
155.08540	13.5
157.10115	27.0
159.08018	4.3
159.11731	5.3
161.09612	15.8
163.03893	4.5
163.11139	16.6
166.07831	4.3
166.55562	3.0
167.08514	4.1
169.10043	10.9
171.11630	19.1
173.09584	13.3
175.11082	11.2
181.10123	5.6
185.09663	3.0
187.11180	12.3
189.11206	6.6
189.12712	4.9
193.12210	15.5
199.11174	12.3
211.13309	15.9
213.12769	4.2
217.12230	16.7
227.12735	11.4
267.15790	4.6
273.18503	16.5
283.15268	3.1
285.16864	22.2
291.15802	15.7
291.19470	29.1
309.16928	28.1
315.19513	14.5
345.36569	2.8
365.23248	19.0
383.24261	6.2
389.23065	5.6
407.24512	3.3
435.21713	4.2
453.22311	4.4
454.81479	3.1
563.33618	4.3
581.35083	24.0
599.35944	43.7
617.36792	23.9
627.08997	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	811.496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
61.02923	6.0
67.05493	5.5
69.03423	4.7
69.07056	1.4
71.01357	0.8
73.02906	4.0
79.05476	4.1
81.03418	1.5
81.07037	8.4
85.02876	7.0
91.03964	3.0
91.05455	5.6
93.07049	6.7
95.04961	0.9
95.08600	4.8
97.02871	4.5
104.25209	0.7
105.07050	3.4
107.08613	1.2
107.39421	0.8
109.02901	0.8
119.08601	1.1
127.03941	1.0
131.08540	0.8
134.80304	0.7
135.11723	0.9
147.11707	0.9
163.15700	0.7
173.07278	0.7
243.08366	3.0
282.97626	0.8
315.19235	6.1
508.36969	0.8
519.29211	6.7
533.27295	4.3
811.49506	100.0
812.50446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56768	2.6
57.03437	3.6
57.07071	4.6
58.06600	3.7
61.02927	4.5
67.05488	11.9
69.38512	2.6
76.69144	2.9
79.05470	5.3
81.07029	14.1
86.09658	5.4
92.12985	2.6
93.06986	4.0
95.08585	3.1
97.02871	3.3
107.08602	3.0
109.10178	3.8
113.87586	2.6
115.91267	2.7
119.08598	2.9
134.78520	3.2
144.10010	2.8
152.85289	2.6
158.29018	3.0
183.36263	2.8
184.07265	5.9
210.93533	3.1
236.14943	15.3
533.26819	4.8
775.58716	3.2
811.49481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	15.6
58.52988	6.0
61.02908	11.3
65.03909	7.4
65.61027	7.2
67.05500	71.2
69.07061	15.2
79.05478	100.0
81.03409	13.1
81.07042	100.0
83.04971	37.0
83.08607	8.7
85.02889	16.1
91.05466	91.2
93.07027	73.5
95.04961	46.7
95.08597	30.2
97.06531	11.5
105.07002	77.2
107.04939	44.3
107.08584	48.6
109.06512	14.1
111.04422	11.1
117.07003	55.9
118.92151	7.5
119.08539	40.7
119.36847	7.6
121.06493	8.7
121.10098	8.1
123.08051	17.2
129.06961	28.1
131.08572	65.7
133.06485	13.1
135.07979	11.5
137.09628	9.1
141.06992	17.6
143.08572	15.1
145.06534	9.4
145.10156	31.2
147.08075	10.7
149.09627	12.0
157.10164	9.9
161.09612	10.4
163.11166	16.6
166.20467	7.6
167.08531	15.1
169.10112	13.0
169.61467	10.0
172.55679	10.0
185.09427	8.4
187.11148	13.7
213.12706	8.1
227.12926	8.6
279.17358	11.2
283.15332	81.1
297.18539	18.2
315.19592	17.2
574.18201	9.3
597.33801	41.0
615.35297	38.8
638.54498	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	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.6
57.07047	1.1
58.06562	0.7
61.02913	6.0
62.87772	0.7
67.05488	5.4
69.03417	3.1
69.07042	1.6
71.05003	0.6
73.02896	4.4
79.05474	5.8
81.03421	1.4
81.07033	5.4
83.08605	0.8
84.60921	0.7
85.02884	4.9
88.77965	0.8
90.84464	0.6
91.03948	2.6
91.05485	3.3
93.07022	4.1
95.04961	1.0
95.08587	3.8
97.02879	4.8
99.08626	0.7
101.02345	1.8
105.07031	1.5
107.08585	1.6
119.08553	0.9
121.10140	1.7
131.08574	0.9
133.10184	1.0
135.11687	1.6
136.82651	0.7
163.63205	0.7
184.07317	1.3
185.04454	1.0
187.29343	0.7
190.20563	0.7
203.05119	0.8
236.14857	0.9
243.08461	3.3
301.08899	1.6
313.27350	0.8
335.25903	0.7
364.69604	0.9
435.63800	0.8
448.68033	0.8
519.29193	8.3
535.28912	1.2
813.51050	100.0
814.51575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	17.7
59.95507	3.1
60.54774	3.3
61.02911	6.0
67.05492	57.9
69.03411	23.2
69.07047	20.2
71.04980	3.8
73.02897	4.0
79.05470	86.5
81.03400	42.3
81.07036	66.5
83.04961	8.5
83.08602	3.5
85.02882	9.0
85.06486	4.6
86.09685	5.2
91.05462	100.0
92.09375	8.7
93.07027	72.3
95.04951	39.5
95.08578	39.2
97.02857	20.4
97.06487	4.4
99.09203	3.7
105.07015	56.8
107.04945	15.3
107.08564	23.0
109.02940	5.3
109.06503	6.1
109.10126	7.3
115.05482	4.2
117.07011	21.3
119.08550	31.1
121.10139	6.7
123.08067	4.4
123.38618	3.6
128.06271	6.8
129.06967	30.2
131.08524	21.5
133.06482	7.5
133.10123	16.1
135.11626	4.7
143.08560	20.2
145.06491	4.4
145.10059	9.5
147.11716	27.2
149.09659	4.0
155.08559	8.1
159.11624	5.0
161.13242	6.9
167.08405	3.6
171.08061	5.6
171.11656	24.2
173.04445	6.6
189.12744	6.2
207.13759	8.8
269.15332	5.9
281.17410	38.2
287.16397	5.4
425.21817	8.1
487.30444	72.0
501.23047	6.6
567.33258	8.3
608.22784	4.7
631.34161	6.2
811.44232	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	13.1
57.07056	5.9
60.22936	1.0
61.02910	3.0
65.03918	2.4
65.95049	1.2
67.05494	89.5
69.07056	30.1
71.04974	1.6
79.05476	93.0
79.49011	1.3
81.03415	2.7
81.07037	85.4
83.04964	2.5
83.08597	9.1
85.06519	1.8
90.27856	1.2
91.05463	79.6
93.07024	100.0
95.04964	12.5
95.08589	68.8
97.06531	5.5
97.10156	2.8
99.08096	2.0
103.05439	2.7
105.04519	2.4
105.07018	84.8
107.04899	1.6
107.08581	48.8
109.06486	2.9
109.10148	22.6
115.05405	1.6
117.06986	31.1
119.08559	67.8
121.10111	33.6
123.08038	1.5
123.11645	5.2
128.06149	1.6
129.07010	15.7
131.08540	36.7
133.06480	1.8
133.10114	52.5
135.11682	20.4
137.09599	1.7
141.06834	1.6
143.03149	1.4
143.08531	14.4
145.10097	28.4
147.11684	37.0
149.09627	2.6
149.13252	9.2
155.08475	1.8
156.08418	1.3
157.10098	12.2
159.11653	21.0
161.13243	22.3
163.11119	1.9
169.10100	2.8
171.11670	13.9
173.13234	15.3
175.14780	8.8
183.11617	3.0
185.13271	11.6
187.14819	4.7
197.13300	2.5
199.14754	5.9
201.16304	2.0
215.17911	1.8
241.19426	15.7
257.19022	3.0
259.20505	44.0
261.22098	6.7
315.23315	2.4
333.24158	35.5
335.25751	47.8
337.27167	1.8
405.31308	1.5
519.42059	2.2
589.04572	1.5
593.45178	11.3
611.46594	47.1
689.93188	1.4
761.94226	1.4
772.62378	1.5
843.38330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.4
57.07063	2.3
59.93863	1.0
65.03928	1.1
67.05497	44.2
69.03423	1.7
69.07049	16.1
71.04964	2.1
71.08624	1.1
79.05479	33.7
81.03396	0.9
81.07040	44.1
83.04948	5.4
83.08601	6.2
85.02917	1.1
86.09700	1.4
87.10168	0.9
88.26122	1.1
91.02273	1.2
91.05466	28.8
91.89175	1.1
93.07026	46.5
95.04958	10.1
95.08592	34.4
97.06505	2.5
97.10168	1.2
105.07021	25.5
107.04982	7.3
107.08583	22.4
109.06499	8.8
109.10156	12.5
111.08080	1.7
115.46000	1.2
117.06992	14.2
119.08563	20.7
121.06504	10.3
121.10123	15.1
123.08042	5.5
123.11709	2.2
124.99993	2.3
129.06996	4.2
131.08536	16.7
133.06474	1.9
133.10144	16.1
135.08017	6.6
135.11658	9.9
137.09624	1.3
137.13144	1.6
143.08546	2.0
145.10095	13.8
147.07976	1.8
147.11685	12.3
149.09592	5.6
149.13260	4.7
151.11200	2.3
155.08644	1.4
157.10158	1.6
159.08115	1.6
159.11687	10.3
161.09595	2.3
161.13206	4.6
163.11165	6.0
173.13235	7.1
175.11169	1.6
183.11713	1.8
184.07310	4.2
187.11169	1.9
191.14331	2.2
201.12671	2.3
202.31284	1.0
215.17995	1.2
219.13763	2.5
227.18037	1.2
231.51598	1.1
247.20566	1.4
257.18985	8.7
261.22235	2.2
275.20026	46.2
293.21045	5.1
304.26068	1.3
335.25812	27.6
347.63690	1.1
349.23669	30.6
609.45105	100.0
610.44672	5.6
627.45874	11.5
735.10907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.8
58.41953	1.0
59.16095	0.9
67.05495	41.0
69.07050	17.3
69.13576	1.0
71.04989	1.5
79.05476	41.3
79.88469	1.0
81.03381	2.3
81.07037	45.1
83.04960	5.4
83.08597	4.2
85.06540	1.4
91.05466	39.2
92.08549	0.9
93.07021	39.9
95.01289	1.8
95.04952	7.4
95.08579	24.4
97.06516	5.1
97.10112	1.7
103.05425	1.0
105.07011	35.2
105.08086	1.1
107.04948	8.1
107.08595	20.8
109.06454	3.5
109.10140	9.4
117.06986	12.3
119.08566	24.7
121.06487	1.5
121.10121	13.3
123.11682	1.7
125.09583	1.5
129.06978	1.1
131.08539	15.7
133.10118	17.6
135.08002	1.3
135.11644	6.2
137.09566	1.5
143.08549	2.3
145.10074	9.9
147.11662	10.2
149.09616	7.4
149.13232	1.5
159.11650	7.1
161.13239	4.1
168.11313	1.2
173.13242	2.5
179.14270	1.9
219.17395	37.4
220.17751	1.0
275.19971	18.1
308.71558	1.3
326.02808	1.0
327.66135	1.2
328.84808	1.2
335.25790	27.2
349.23697	13.9
351.24628	1.1
358.66455	1.3
550.00531	1.5
570.91779	1.2
609.45044	100.0
610.45117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	7.0
58.80007	5.7
59.32227	6.2
61.02917	7.4
67.05488	47.0
69.07076	9.4
75.22861	6.4
79.05500	24.2
81.07042	41.0
91.05470	13.6
92.09337	21.8
93.07033	32.9
95.08580	17.3
105.07015	10.7
107.08589	8.3
109.10146	11.2
149.13126	7.5
152.56152	7.5
186.67558	7.0
194.69942	7.1
240.09032	8.1
335.25735	100.0
337.27219	7.2
440.99533	8.2
595.47101	12.9
666.53619	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	807.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40451	0.4
69.07046	0.4
72.31149	0.4
85.02875	0.4
91.05442	0.4
96.98241	0.4
107.74249	0.3
133.68147	0.4
133.75807	0.4
153.01691	0.5
175.03856	1.7
187.03835	0.5
203.03404	1.7
243.02831	1.0
271.02316	100.0
271.59946	0.4
272.02420	1.2
349.07086	0.8
378.01077	0.5
391.08041	65.5
392.08463	0.8
505.67816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.4
62.78328	2.0
67.05483	14.8
69.07047	3.9
71.01308	2.1
73.02882	3.4
79.05484	17.3
81.03398	11.6
81.07040	21.6
83.04963	4.5
83.08563	3.3
85.02887	4.7
91.05465	14.2
93.07028	13.0
94.97712	2.2
95.04962	3.1
95.08618	4.9
97.02888	4.9
97.10122	2.8
105.07011	10.6
107.04877	2.8
107.08588	5.5
119.08569	4.2
121.10066	3.8
131.08563	3.9
131.79953	2.4
133.10118	2.9
147.11720	3.0
212.77777	2.4
243.08383	3.4
443.24097	2.5
465.20724	12.8
583.30371	5.1
698.85217	2.6
807.44873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
57.07064	2.9
61.02905	5.7
67.05505	3.4
67.13158	1.1
69.03433	2.0
69.07041	2.7
71.08620	1.9
71.10325	1.3
73.02927	1.9
79.05491	1.9
81.03363	1.4
81.07031	5.4
85.02900	2.7
91.03976	1.2
91.05466	2.3
93.07027	1.9
95.08625	1.7
95.30427	1.4
97.02908	3.0
131.08571	1.7
132.74104	1.3
136.81731	1.2
172.32109	1.6
243.08385	2.5
264.19275	1.4
295.39838	1.4
333.20361	3.4
497.31049	7.3
551.28571	6.1
807.52167	100.0
808.52423	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	806.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	19.2
57.04114	2.5
57.07071	4.7
57.46753	2.3
59.04994	5.4
64.89780	2.6
67.05498	100.0
69.03426	4.9
69.07056	34.3
69.76929	2.9
71.04977	6.5
74.25861	2.7
77.84511	3.3
79.05479	97.3
81.03405	67.6
81.07045	92.2
83.04957	15.8
83.08612	27.6
85.02891	12.9
85.06534	7.3
87.04447	5.0
91.05470	83.5
93.07027	77.6
95.04937	29.1
95.08585	51.5
97.02875	4.3
97.06531	14.2
97.10155	16.7
99.08061	3.7
101.79884	2.7
105.07030	82.2
107.04939	14.2
107.08589	38.2
109.06529	14.7
109.10146	30.6
111.08071	5.3
115.05445	3.1
117.06992	33.5
119.08562	67.1
121.06512	11.5
121.10157	28.3
123.08069	4.9
123.11680	2.8
123.45969	3.3
125.09614	4.8
129.06982	27.7
131.08563	36.7
132.08789	3.5
133.06459	4.7
133.10104	46.9
135.08099	6.5
135.11688	12.1
137.09589	6.7
142.07767	3.5
143.08568	16.6
145.10069	27.5
147.08087	4.9
147.11682	31.5
149.09575	12.0
149.13307	4.2
151.11214	4.5
155.08517	5.3
157.10107	25.5
159.11652	23.3
161.13200	5.1
163.11159	12.9
169.10149	6.7
171.11641	14.1
173.11786	3.4
173.13248	6.0
175.11089	5.0
183.11752	3.7
185.13210	6.3
193.12253	19.4
197.13293	4.8
199.11171	3.5
203.14265	3.2
211.13248	4.7
227.12723	4.0
236.81358	3.1
245.50793	3.9
253.99911	3.1
257.18936	3.5
259.20554	16.3
267.15814	23.2
269.17584	4.5
273.18314	3.5
275.20044	12.1
333.24127	11.9
461.29117	3.9
510.37436	3.4
525.35706	15.3
541.34875	4.8
543.37067	26.1
607.43744	4.9
609.31476	14.4
625.43958	4.9
626.44684	6.0
710.20447	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	806.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05844	3.9
57.03424	23.4
59.47148	3.3
67.05497	78.2
67.10762	3.4
69.03406	5.9
69.07060	32.6
71.04980	4.4
79.05479	68.5
81.03404	100.0
81.07038	84.1
83.04971	22.1
83.08612	27.8
85.02882	5.0
91.05472	72.3
92.09315	3.9
93.07037	61.1
95.04944	48.1
95.08604	29.5
97.02882	6.8
97.06525	19.0
97.10144	20.6
105.07018	51.1
106.67202	3.8
107.04962	17.1
107.08571	35.3
109.06512	6.9
109.10150	23.9
111.08062	5.2
115.05361	3.8
117.07018	17.4
119.08558	44.0
121.10110	30.4
125.09614	9.5
129.07008	20.3
131.08546	29.2
133.06448	5.1
133.10089	33.7
135.11678	24.7
137.09552	5.7
142.07831	4.4
145.10100	19.4
147.11696	18.3
149.09619	15.9
149.13210	5.7
151.11110	5.1
157.10165	16.2
163.11156	8.8
164.76503	4.1
169.10246	5.5
172.84856	3.5
175.11234	6.1
177.66879	4.7
193.12260	22.5
227.12772	9.5
253.14320	5.1
255.15886	7.1
267.15869	50.4
269.17465	14.6
273.18506	4.3
275.20117	16.5
299.88736	3.7
349.23712	7.1
447.27173	24.5
461.29044	63.3
493.31845	5.4
541.35400	31.9
559.36084	6.7
657.16998	4.2
704.49561	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	806.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	31.4
58.61881	3.9
61.02906	4.7
67.05490	100.0
67.37418	3.7
67.52705	3.5
69.03410	8.1
69.07058	40.7
70.74027	3.6
71.04987	9.5
78.39277	3.8
79.05472	87.2
81.03407	47.6
81.07045	98.2
83.04954	35.9
83.08605	32.9
85.02902	24.9
91.05473	65.8
93.07034	62.6
95.04935	43.8
95.08572	44.9
97.06534	20.5
97.10145	18.0
105.07036	52.1
107.04927	29.5
107.08586	49.5
109.06525	20.3
109.10127	35.4
111.08072	9.8
117.07027	24.2
119.08570	34.5
121.06490	9.6
121.10113	10.1
123.08038	15.6
125.09589	16.7
128.06258	4.1
129.05457	8.0
129.06981	20.2
131.08553	26.8
133.10103	16.3
135.08089	9.5
135.11699	6.7
137.02249	4.7
137.09633	4.6
141.00687	5.2
143.08565	7.4
145.10127	24.1
147.11697	21.0
149.09558	14.0
151.11209	5.2
157.10147	15.9
159.11673	6.9
161.09628	8.5
163.11157	10.2
171.11543	4.4
175.11208	8.5
189.11143	9.3
193.12234	18.5
211.13309	18.2
227.12775	9.3
229.14238	4.4
267.15729	5.3
273.18375	9.5
275.19955	7.4
283.15396	16.9
285.16809	17.0
291.19479	6.9
293.20871	4.4
301.16452	8.8
349.23746	6.1
365.22974	6.4
380.41550	5.3
409.58682	4.0
437.25171	8.1
439.26788	18.3
447.27191	7.6
477.28149	4.8
479.29526	4.8
541.34302	7.0
557.33984	5.1
573.34436	9.9
575.35999	4.9
591.34814	23.1
609.35931	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	806.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51253	2.5
56.58755	2.5
57.03434	23.6
57.07061	3.1
59.04969	3.4
61.02892	4.1
64.70988	2.8
65.03958	3.4
67.05494	100.0
68.05811	4.6
69.03415	12.7
69.07058	35.8
71.04976	6.4
71.56408	2.8
72.92506	3.0
79.05053	4.5
79.05476	93.7
81.03402	64.9
81.07038	94.2
83.04956	16.5
83.08601	31.5
85.02870	5.2
86.12042	3.4
91.05466	92.6
93.07017	96.3
95.04956	32.0
95.08590	55.8
97.02845	6.3
97.06515	11.1
97.10153	12.5
105.07011	81.5
107.04923	16.4
107.08585	41.6
108.08894	3.6
109.06493	7.2
109.10130	26.0
111.08063	4.4
113.07838	3.1
117.06987	38.2
119.08559	62.0
121.06466	13.6
121.10155	28.9
125.09605	3.7
128.06216	6.0
129.06981	24.0
131.08557	45.4
132.08890	3.8
133.06387	3.0
133.10109	40.2
135.08029	6.9
135.11667	12.6
141.06941	3.9
142.07730	4.7
143.08531	23.8
145.10132	40.3
146.10428	3.6
147.11630	21.6
149.09592	18.6
149.13245	5.5
155.08511	10.8
157.10146	25.5
159.08054	2.9
159.11627	22.1
161.13243	6.9
163.11163	11.9
169.10104	12.2
171.11673	19.1
173.13232	13.7
175.11090	4.0
182.24873	2.7
183.11589	5.9
185.13252	6.6
193.12184	5.1
195.11624	5.3
197.13142	5.4
208.84805	2.8
216.72676	2.8
227.12598	3.2
241.19464	3.1
259.20532	11.2
264.02197	3.3
267.15848	19.5
269.17264	4.2
275.20020	11.4
293.20828	5.1
323.37396	4.1
333.24384	5.9
334.24820	3.6
349.23737	5.9
461.28558	20.6
514.35785	3.7
516.37225	5.9
525.35321	11.7
543.36737	29.3
608.43726	10.1
625.44165	3.6
626.44672	16.3
806.42664	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	805.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.1
58.26487	1.5
64.33681	1.6
67.05145	2.7
67.05492	50.7
69.03421	3.0
69.07054	10.5
71.04951	2.0
74.04112	1.6
79.05477	62.9
80.21301	1.8
81.03393	3.9
81.07041	100.0
83.04965	8.5
83.08598	3.8
85.02898	2.8
85.06522	4.2
86.09686	4.5
89.31634	1.7
91.05469	32.6
92.08668	3.4
93.07028	36.7
95.04955	37.5
95.08590	33.4
97.06528	3.7
97.10168	3.0
105.07008	26.4
106.27251	2.0
107.04935	9.7
107.08604	22.7
109.06511	54.9
109.10122	10.1
111.04455	3.0
111.08040	2.8
113.05994	12.6
115.52644	2.1
117.06984	19.5
119.08572	26.8
121.06490	8.8
121.10117	14.2
123.08054	4.2
128.06261	2.9
129.07001	7.4
131.08565	17.3
133.08543	2.2
133.10091	10.1
135.08015	22.3
135.11652	10.2
143.08533	9.1
145.10144	13.5
147.08044	13.9
147.11734	3.0
149.09570	4.2
153.12645	2.4
157.10150	3.7
159.11662	3.0
161.09590	10.1
163.11154	8.7
171.11705	2.7
184.07361	18.5
217.15872	3.8
252.34392	2.2
273.18405	19.0
291.19513	71.9
314.48505	2.1
335.25754	40.1
347.22238	4.5
356.56863	2.1
365.23337	14.0
607.43481	11.5
625.44458	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06648	1.1
59.54840	0.9
60.48422	1.0
61.02895	1.3
67.01842	1.4
68.99788	6.8
69.03403	6.5
81.03399	4.9
83.04956	1.2
85.02884	4.6
85.06715	1.3
87.00821	2.1
91.05473	17.1
94.11237	1.3
97.02888	2.4
109.02859	1.3
111.00826	1.3
119.04926	37.9
127.03917	2.3
129.68289	1.2
137.02422	1.9
137.05954	36.2
138.06320	6.6
147.04399	100.0
151.07475	1.3
153.01805	83.4
171.02780	1.4
173.05997	1.3
175.07547	1.7
187.03932	1.5
187.07472	1.5
189.05455	2.0
213.05302	1.6
215.03331	5.4
229.05043	1.9
239.03160	1.3
241.04880	5.7
243.02846	6.5
255.02856	6.6
257.04291	4.9
261.03836	1.7
267.02838	2.4
281.04449	2.0
283.02380	2.4
285.03882	67.4
297.03876	9.2
299.05457	5.1
303.04913	33.3
309.03778	5.1
311.02023	13.7
311.05319	2.3
323.05496	2.6
327.04941	32.2
329.02853	19.0
335.05746	2.0
353.02792	21.6
367.04770	1.8
377.02722	5.3
395.03976	5.1
405.09637	34.9
409.27643	1.6
411.07028	5.9
431.07550	14.2
437.04926	51.5
455.05972	7.2
465.99387	1.2
521.21338	1.7
557.10651	69.3
574.30615	1.3
617.73938	1.3
653.14337	1.4
667.09338	1.3
685.09796	5.8
805.15955	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53896	1.0
57.03421	4.4
57.81860	1.0
65.03922	1.4
66.47797	0.9
67.05490	34.8
69.07045	8.5
71.04977	1.2
74.95534	0.9
79.05474	49.4
81.03403	2.2
81.07040	100.0
83.04980	8.7
83.08604	7.3
83.09878	1.0
83.54081	1.2
85.02876	5.1
86.09689	2.6
91.05463	18.7
93.07020	27.2
95.04940	15.1
95.08585	19.7
97.06509	1.9
97.10152	5.8
99.04436	1.9
105.07014	14.8
107.04927	5.7
107.08556	13.5
109.06500	31.6
109.10134	9.3
111.04414	6.2
111.08051	2.3
117.06996	9.9
119.08562	20.5
121.06461	4.6
121.10130	10.8
123.08060	2.5
123.11732	1.6
124.99979	4.5
125.09594	1.8
125.46172	1.1
129.05498	1.3
129.06953	1.3
130.18964	1.0
131.08517	8.8
133.06503	1.8
133.10117	7.1
135.08029	2.0
135.11668	4.8
137.09578	2.4
143.08560	2.4
145.10095	9.4
147.08058	8.9
149.09598	4.6
157.10098	1.1
159.08002	1.0
159.11615	4.1
161.09555	6.9
163.11174	5.9
164.57980	1.1
171.11667	2.3
184.07254	8.1
185.13200	1.2
187.11018	1.2
198.04967	1.2
247.85425	1.0
249.14996	1.8
261.22006	1.2
273.18414	10.9
291.19476	38.3
335.25729	27.5
347.22220	2.6
365.23218	13.5
488.71625	1.2
607.43457	10.5
625.44470	42.6
784.97162	1.2
805.46423	1.9
812.95776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
65.87684	2.2
65.94765	1.6
66.33812	1.8
67.05492	12.7
79.05461	17.1
81.07053	18.0
83.08598	1.9
87.04472	3.3
89.06013	32.3
91.05479	13.8
93.07035	11.8
95.04906	2.6
95.08584	2.6
103.05486	4.9
105.07019	100.0
107.04970	3.2
107.08624	2.7
109.06553	2.9
109.10161	3.2
117.06992	3.8
119.08568	12.5
121.06487	13.3
121.10117	2.7
129.06976	3.0
131.08569	3.6
133.08578	15.6
133.65819	2.5
147.08038	27.4
149.09644	4.2
174.52847	2.1
225.12769	12.3
233.29736	2.4
291.19641	3.5
373.21555	3.9
545.47638	3.0
581.92310	2.6
624.43414	2.4
804.45325	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	805.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
64.33704	1.2
67.01855	1.6
68.99770	7.5
69.03397	2.8
81.03381	2.9
85.02901	5.4
87.00821	3.2
91.05473	14.6
97.02879	2.1
119.04919	32.6
127.03900	1.7
137.02316	2.7
137.05965	3.3
147.04391	100.0
153.01813	81.2
187.03883	5.9
189.05382	2.9
199.03883	1.9
201.05428	2.3
213.09789	1.8
215.03348	8.0
229.00822	1.8
229.04924	3.5
241.04875	7.3
243.02788	8.7
255.02940	2.7
257.04318	5.2
261.03934	2.2
283.02295	7.1
285.03885	71.0
297.03787	7.6
299.05460	5.8
303.04919	31.2
309.04068	5.0
311.01785	16.7
311.05161	3.8
323.05582	1.9
327.04910	34.8
329.02951	19.1
353.02811	27.0
377.02994	3.3
395.03586	2.1
405.09631	40.4
411.06955	8.2
431.07571	16.3
437.04990	52.4
455.05743	8.7
557.10724	83.1
659.11945	1.9
685.10205	3.3
719.15680	1.9
805.15839	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	804.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	18.4
59.03689	0.9
59.04969	4.0
61.02923	2.2
61.10689	1.0
63.21660	1.0
65.03941	1.3
67.05493	50.2
69.03416	6.6
69.07050	22.4
71.01340	1.4
71.04979	5.3
73.02895	1.4
79.05476	50.5
81.03399	16.3
81.07037	100.0
83.04961	21.7
83.08604	29.3
85.02428	1.1
85.02866	7.8
85.06552	4.3
91.05459	51.4
91.05998	2.5
93.07021	48.1
95.04948	26.6
95.08583	26.9
96.99243	1.0
97.02865	8.7
97.06516	13.0
97.10144	34.3
99.00798	24.7
99.04434	4.6
99.08064	1.9
103.05470	2.8
105.03368	1.6
105.07013	43.5
107.04944	23.7
107.08572	31.1
109.02857	14.4
109.06495	13.5
109.10139	15.0
111.04414	15.6
111.08049	12.2
113.05963	1.1
113.90475	1.0
115.03954	1.3
115.05479	1.4
117.06992	18.0
119.04943	1.8
119.08569	38.4
121.06474	19.1
121.10112	10.8
123.04441	4.6
123.08048	27.2
123.11708	2.8
125.09621	21.1
127.03899	6.9
128.06245	2.4
129.06964	8.3
131.08537	14.9
132.05658	1.1
133.06477	5.7
133.10097	48.1
133.11009	2.0
135.08044	10.9
135.11670	10.5
137.05997	2.7
137.09628	6.6
139.07526	2.3
143.08554	12.4
145.06479	4.8
145.10124	18.5
147.08034	12.5
147.11697	6.0
149.09567	8.5
149.13280	1.7
151.11143	14.5
153.07024	2.0
153.09100	2.6
153.12767	6.8
155.08543	1.6
157.10136	7.4
159.08055	2.7
159.11734	5.2
161.09592	30.9
163.11165	19.5
165.09123	6.1
169.10085	1.6
171.08005	5.6
171.10320	1.3
171.11699	4.3
173.09575	2.2
175.11179	4.6
177.12779	1.8
179.10664	9.3
181.12238	7.7
185.13293	1.3
187.11186	4.3
189.09190	8.8
189.11137	12.4
191.10657	5.9
193.12280	2.2
197.11742	1.4
207.10222	1.5
223.13257	2.1
225.11136	8.5
227.12740	14.1
243.12076	1.2
245.18935	5.9
249.14903	1.8
255.17430	2.5
273.15588	1.4
273.18445	25.6
281.13736	2.2
283.15479	5.1
291.19485	58.6
299.14835	69.9
308.25760	1.5
309.20471	8.0
347.22226	9.3
365.23151	29.6
383.24319	15.0
469.23935	2.0
534.39783	1.5
571.32373	9.9
589.33600	60.9
590.33551	1.9
607.34552	43.5
768.20422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03218	2.0
57.03435	32.7
57.07059	3.6
59.05011	3.2
61.02910	10.0
65.03943	2.0
67.05142	3.2
67.05494	88.2
69.03413	14.5
69.07063	39.4
71.01342	3.9
71.04976	13.5
73.02893	3.4
79.05477	100.0
81.03405	33.4
81.07043	98.2
81.07529	3.0
83.01321	14.7
83.04974	34.1
83.08608	37.5
85.02885	17.9
85.91736	2.0
91.05459	62.3
93.07028	80.8
95.04948	41.6
95.08589	38.1
97.02893	22.3
97.06538	17.6
97.10159	19.8
99.04441	9.7
105.07019	46.2
107.04938	35.1
107.08575	57.1
109.02866	3.6
109.06496	38.9
109.10143	34.4
111.04443	10.5
111.08064	8.5
115.05436	3.5
116.04712	5.6
117.07019	28.9
119.08562	41.0
121.06445	16.3
121.10114	22.5
123.04391	8.2
123.08032	21.2
125.05942	4.8
125.09583	16.0
127.03869	2.4
128.06195	2.7
129.05467	17.5
129.06984	9.5
131.08549	22.9
133.06471	4.3
133.10114	24.7
135.08015	14.4
135.11668	32.6
137.09576	25.3
141.06937	2.5
143.06947	3.5
143.08543	11.3
145.06467	3.9
145.10089	36.7
147.08069	14.9
147.11710	9.3
149.09624	9.8
151.07513	2.7
153.09073	8.3
153.12729	4.7
157.08522	4.3
157.10149	5.1
159.08086	3.9
159.11725	5.1
161.09615	12.4
163.11171	48.2
165.09099	4.2
169.10204	2.6
171.10207	2.5
171.11636	4.5
173.09665	4.8
173.11703	3.3
175.11191	4.9
177.12640	3.9
181.12172	2.8
189.11227	3.8
191.10587	4.6
193.12218	11.3
209.11739	8.4
223.13283	2.7
227.12807	15.5
229.14224	8.4
245.18999	2.3
249.15082	2.9
267.15952	4.8
273.18439	23.1
283.15375	83.3
289.17963	3.9
291.19598	19.6
337.16492	2.7
347.21927	8.6
365.23163	12.2
379.21432	2.7
381.22540	3.0
399.23740	20.6
406.26465	2.4
437.25345	35.5
477.28238	13.6
539.33496	2.8
555.32721	3.1
557.34680	24.3
573.34485	28.9
589.33838	12.0
590.33221	2.6
607.34656	70.0
691.50470	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	804.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
61.02909	2.0
63.86169	1.0
64.49988	1.0
67.27477	0.9
68.07625	0.9
69.03405	12.2
71.32674	0.9
71.48151	1.1
73.02895	1.4
79.05461	1.7
81.03402	11.9
83.04977	2.0
85.02895	17.4
87.00813	9.4
91.05456	5.7
94.04183	1.5
95.08602	1.2
97.02872	8.6
99.04437	1.6
103.05466	2.6
105.01838	5.0
105.07001	2.0
107.04948	1.7
109.02853	6.2
109.06493	2.0
115.03866	1.1
117.07000	2.1
119.04903	1.2
121.06463	1.7
122.03647	7.0
123.08067	1.5
127.03869	11.3
129.01842	1.1
129.06984	2.4
130.85678	1.1
131.04927	12.1
131.08580	1.3
131.49257	1.0
133.06433	1.3
137.05959	100.0
138.06288	1.2
143.04865	1.2
145.06461	1.4
147.04401	2.3
149.05945	1.5
151.07520	26.3
153.01820	2.1
157.06424	1.7
159.02827	1.9
159.08058	1.3
160.05299	1.3
161.05956	18.4
161.09612	2.0
163.03847	1.2
163.07512	16.2
165.07063	1.1
174.06738	4.6
175.07516	11.3
177.09041	9.1
179.08482	1.0
181.06444	1.1
181.08516	1.3
187.07559	4.4
189.09076	9.5
192.02138	1.1
193.85410	1.0
195.10130	8.9
197.20461	1.1
203.06967	1.4
205.06392	1.2
207.08159	1.0
207.10121	5.6
219.08093	3.9
219.10110	6.9
222.06825	1.5
223.07390	1.3
225.09106	2.0
233.06084	1.1
235.07576	1.2
237.09158	4.5
239.10548	1.3
249.08961	1.6
251.10641	2.0
253.08630	2.1
253.85045	1.2
261.08551	1.2
264.07928	1.4
265.08597	9.7
267.10138	1.9
273.11191	1.1
277.08585	3.7
279.10175	5.3
283.09595	4.3
284.10443	1.2
285.11133	8.0
289.08310	1.2
297.11197	11.4
299.12717	1.6
309.11050	2.2
310.11887	1.2
311.12668	16.0
313.14426	1.5
317.14023	1.2
323.12848	2.2
327.34952	1.1
343.15332	5.3
355.15338	1.4
453.92804	1.1
460.18286	1.1
461.19275	4.2
479.20630	24.9
491.20596	8.5
493.22098	8.8
503.20361	2.3
569.21716	3.9
581.21851	1.1
691.23523	1.6
709.24701	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	26.3
57.07055	2.7
58.51614	1.6
60.01587	1.5
61.02902	2.2
63.69271	2.0
65.52400	1.9
67.05496	63.1
69.03417	2.3
69.07054	15.6
79.05480	66.2
81.03392	7.9
81.07043	100.0
83.04952	3.8
83.08594	3.5
85.02902	3.2
85.06519	9.7
91.05464	61.1
93.07035	44.6
95.04955	38.0
95.08594	22.2
97.02862	2.0
97.06515	8.9
97.10147	2.9
99.08041	2.6
105.07021	57.4
107.04926	11.2
107.08583	29.8
109.06507	53.6
109.10162	4.6
111.04419	4.1
113.06005	18.6
117.06995	28.6
119.08570	36.6
121.06472	8.0
121.10120	10.7
123.08047	3.8
128.06189	4.2
129.06993	18.7
131.08560	26.3
133.06493	2.9
133.10094	23.5
135.08020	28.0
135.11650	9.8
141.06973	3.2
143.08578	14.9
145.10114	21.9
147.08049	3.7
147.11693	14.7
149.09586	4.0
149.13205	3.9
155.08466	3.9
157.10103	9.7
159.07983	2.7
159.11676	9.5
161.09602	11.1
161.13252	7.7
163.11194	2.9
171.11702	7.1
173.13271	2.9
175.14879	2.0
177.12865	2.1
181.10042	2.6
183.11710	4.0
185.13281	4.1
194.97360	2.0
209.13231	2.3
217.15773	7.3
234.89650	2.1
241.19421	3.1
259.20566	10.1
273.18500	13.0
279.15811	3.4
291.19449	33.0
315.23233	2.1
333.24167	17.2
365.23132	12.9
468.89902	2.0
605.41589	4.5
623.42926	57.2
641.43536	13.0
803.43121	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	802.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	14.1
57.03662	1.7
57.07068	34.2
58.06593	50.3
59.06909	3.9
59.07368	11.4
60.08153	10.8
65.03902	2.2
67.05491	33.8
69.03413	3.2
69.07066	18.7
71.08618	19.0
75.04489	4.0
79.05479	35.5
81.03373	3.6
81.07044	30.2
83.04932	2.9
83.08613	24.2
85.02892	3.1
85.10166	10.3
87.04430	8.5
91.05453	16.2
91.06525	1.6
93.07027	15.0
95.08585	17.3
97.10152	43.2
103.95228	2.1
105.07002	17.7
107.04922	3.1
107.08578	45.1
109.06509	2.3
109.10130	12.5
117.06985	3.5
119.08567	8.8
121.10129	2.7
125.09608	36.8
127.03903	2.0
131.08510	2.9
133.10132	11.0
135.08037	4.5
144.10172	17.9
145.10158	9.4
147.11703	3.7
149.09554	2.2
149.28366	1.8
153.09058	2.7
156.62263	2.1
159.11674	3.6
162.11230	8.8
171.11632	2.4
171.48288	2.0
189.11145	18.8
227.12740	61.1
236.14890	100.0
237.15208	37.5
238.15472	10.5
257.18909	2.9
275.20029	20.4
295.46857	2.4
313.27417	39.0
331.22696	3.1
349.23737	22.1
389.17584	2.7
456.36612	3.5
457.37137	3.1
474.37848	8.8
475.38068	13.5
476.37976	2.6
483.36151	2.4
587.46503	46.1
604.25433	2.6
629.47424	3.6
630.48230	3.7
682.52142	2.6
683.52911	15.2
684.53021	7.4
733.57788	3.0
734.57819	3.0
751.58777	15.7
752.58905	15.4
765.60266	3.3
785.48682	2.1
801.61493	10.0
802.61481	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	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	29.0
57.07069	70.4
58.06585	2.2
60.02929	1.6
61.02910	6.2
65.03910	2.5
67.05496	79.5
69.03421	7.4
69.07055	38.1
71.05001	6.4
71.08614	50.2
71.91136	1.5
73.02939	1.8
79.05470	55.6
79.05896	2.5
81.03391	12.4
81.07038	100.0
83.04968	13.6
83.08618	27.3
85.02912	7.6
85.06530	3.9
85.10170	23.2
89.06003	2.5
91.05456	40.3
93.07024	61.6
95.04961	13.8
95.08585	61.8
97.02868	6.4
97.06513	9.5
97.10150	13.4
99.08092	2.4
105.07005	32.0
107.04963	3.7
107.08568	30.0
109.06496	6.8
109.10139	21.2
111.04419	1.6
111.08091	2.3
117.07008	13.6
119.08562	28.6
121.06441	5.8
121.10152	16.0
123.11693	10.6
127.03874	3.0
129.07001	2.7
131.08553	19.0
133.06535	2.6
133.10109	24.5
135.08064	2.8
135.11670	20.0
137.09590	1.9
141.06995	2.8
143.08543	2.0
145.10109	9.9
147.11716	7.6
149.09615	14.8
149.13255	11.4
151.11263	1.8
157.10130	3.6
159.11681	15.3
161.13251	2.1
163.11183	6.7
169.10124	3.5
171.11732	2.8
177.12642	2.9
179.14133	1.9
195.13864	6.1
236.14877	3.3
239.23709	2.5
255.15897	15.7
257.19003	3.6
269.17426	36.9
275.19980	12.5
291.19431	2.2
313.27328	92.8
339.18106	1.9
349.23508	18.8
367.24707	2.7
413.21600	2.2
473.94058	1.9
493.38788	29.5
507.40381	97.4
509.47717	1.6
517.87531	1.7
547.43292	2.7
587.46490	26.7
605.47491	10.3
702.90643	1.9
723.31219	2.1
768.83142	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	800.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.0
57.07069	5.8
58.06590	36.5
59.07367	10.7
60.08152	9.7
64.34109	0.4
67.05190	0.4
67.05496	4.6
69.07047	2.2
71.04987	0.6
71.08607	3.6
75.04455	2.8
76.81696	0.5
79.05467	2.3
81.07041	3.7
83.08607	1.0
84.08102	1.7
85.02888	2.2
85.10148	2.0
87.04469	4.3
89.98787	0.4
91.05444	2.8
93.07007	2.0
95.04918	0.5
95.08571	2.1
97.06482	1.0
97.10165	0.5
105.05455	0.7
105.06986	0.6
107.08567	0.7
109.10139	0.8
113.05942	0.6
119.08569	0.5
130.08620	0.7
131.07008	1.1
133.44603	0.5
144.10182	17.0
162.11214	5.6
200.12657	0.5
218.13876	1.8
236.14882	100.0
237.15102	0.8
313.27225	0.5
333.47156	0.6
369.30084	0.6
390.25052	0.5
412.26822	0.9
412.37808	0.6
444.29480	0.9
456.36819	10.5
474.37866	18.7
475.38419	0.5
476.33383	0.9
494.34518	2.8
512.35815	2.5
596.46704	0.6
628.47699	5.9
629.46582	0.7
682.40515	0.9
682.52325	26.4
683.52460	0.9
732.57642	6.6
750.58679	25.9
751.58307	0.7
764.60114	6.2
768.59338	4.1
782.61304	4.8
800.62335	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	802.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.9
61.02873	2.3
65.03919	2.7
67.05495	84.0
68.61149	2.1
69.03403	4.3
69.07060	28.2
71.04964	9.0
74.84093	2.0
79.05475	85.3
81.03394	15.4
81.07039	84.2
81.07471	2.3
83.04966	18.7
83.08607	16.3
91.04890	2.6
91.05460	66.7
92.14864	1.9
93.07021	81.5
95.04943	27.1
95.08584	42.5
97.02843	3.8
97.06505	13.9
97.10130	4.6
97.49633	1.8
105.07021	55.4
107.04939	8.7
107.08573	37.0
109.06534	9.8
109.10130	20.7
111.08064	4.0
114.36175	2.4
115.05490	2.7
117.06998	19.1
119.08574	36.1
121.06472	3.1
121.10139	14.4
123.08051	9.7
123.11684	2.2
124.25716	2.0
125.09572	2.7
128.06171	3.3
129.06989	21.0
131.08559	21.0
133.10101	27.9
134.17288	1.9
134.71086	1.8
135.11673	5.0
136.23349	1.9
143.08537	11.9
145.06471	2.3
145.10086	21.3
147.11678	36.0
149.09581	8.8
149.13251	11.1
159.11687	12.1
161.09650	3.1
161.13231	9.7
163.11110	4.2
165.09152	2.1
169.10126	2.4
171.11652	23.2
173.13193	2.5
177.12817	3.9
189.12714	8.3
201.12862	3.0
207.13792	15.1
229.14368	2.6
235.26895	2.3
257.18909	3.1
273.18478	2.8
275.20007	16.6
281.17395	35.2
349.23590	3.8
413.21652	4.1
435.27417	19.1
475.30490	100.0
480.79776	2.2
537.35303	4.0
542.50580	2.4
551.12000	2.3
555.36841	29.8
587.38715	3.6
605.36469	5.0
619.34906	21.7
730.44336	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	800.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00533	0.4
57.03429	6.5
57.07071	6.6
58.06590	36.3
59.07368	10.9
60.08148	11.3
64.42204	0.4
67.05492	5.3
69.07047	1.3
71.04996	0.6
71.08625	5.6
73.02881	0.7
75.04457	3.5
79.05466	4.5
81.07022	5.5
83.08602	1.9
84.08141	0.8
85.02885	1.0
85.10175	2.2
87.04456	4.9
89.20676	0.5
91.05463	2.1
93.07035	2.4
95.08575	3.9
97.06516	2.0
97.10159	0.5
100.11241	0.5
100.86430	0.4
102.05530	0.5
103.03914	0.7
104.24614	0.5
105.05534	0.7
105.07020	1.1
107.08580	0.8
109.06488	0.8
109.10155	1.0
111.07994	0.7
113.06026	1.1
116.07124	0.6
119.08563	1.2
122.08170	0.5
130.08624	0.7
131.07043	1.8
131.08604	0.8
133.10046	0.6
144.10196	16.6
162.11247	6.8
166.71019	0.5
218.13870	1.0
236.14888	100.0
237.15289	2.3
256.13492	0.6
257.37698	0.6
291.19421	0.9
313.27435	2.0
331.03186	0.6
365.23041	0.9
412.26529	0.9
444.29117	0.8
456.36661	10.8
474.37830	17.7
494.34473	2.3
512.35510	2.1
522.71667	0.6
603.45819	1.2
628.45721	0.9
642.18848	0.6
682.52399	31.2
683.52301	1.0
732.57404	7.5
749.56360	0.7
750.58667	26.3
764.60229	8.5
768.58929	3.5
782.61560	6.3
800.49390	1.0
800.62280	17.1
834.66620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	22.8
61.02909	9.5
61.75616	4.5
63.60463	4.7
66.50849	5.3
67.05495	74.1
69.03396	5.8
69.07049	8.8
71.04960	5.9
71.08614	13.0
79.05467	95.3
81.03416	52.3
81.07036	60.9
83.04951	23.4
83.37570	5.7
85.02887	30.0
85.06524	6.6
85.34622	5.4
91.05470	100.0
91.17623	5.8
91.20778	6.1
92.08761	5.7
93.07033	67.7
94.84862	5.6
95.04950	49.0
95.08588	36.5
97.06544	7.2
97.46972	6.1
99.08050	6.4
103.05451	6.5
105.07019	80.2
106.07320	6.4
107.04925	9.2
107.08568	31.9
109.06487	10.1
109.10165	7.9
111.08070	9.4
115.59846	6.1
117.06980	43.9
117.65886	5.7
119.08566	44.9
121.10123	10.1
129.06963	34.0
130.07779	7.2
131.08545	57.2
133.06485	11.3
133.10066	13.8
135.08049	13.2
141.06978	12.9
143.08517	25.0
145.10081	34.8
147.07968	8.8
147.11668	10.0
149.09644	8.9
155.08530	8.1
157.10138	31.5
159.08055	7.3
159.11685	12.1
163.11115	7.1
169.10103	27.5
171.11746	5.8
175.11145	5.7
187.11023	9.7
193.12213	24.3
199.14809	8.0
203.14265	7.5
211.13249	12.7
267.15701	8.1
283.15393	6.5
285.16852	43.8
301.21768	11.1
359.42914	6.7
485.28491	11.0
503.29929	28.4
585.37274	9.0
708.41052	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	800.551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	14.1
57.07069	43.5
58.06592	10.8
59.07386	2.1
60.08163	2.0
66.32779	1.9
67.05173	3.8
67.05495	40.3
68.50590	1.7
69.03410	13.3
69.07058	39.1
71.04981	2.1
71.08612	27.6
73.05886	2.2
75.04461	2.3
79.05486	29.7
81.03414	8.0
81.07045	32.9
82.59855	1.9
83.04993	2.3
83.08600	16.4
85.02866	1.9
85.10180	8.9
88.62376	1.7
89.05999	1.9
91.05471	20.1
93.07034	22.2
95.04962	10.6
95.08593	24.4
97.02869	10.6
97.10152	17.3
101.79408	2.0
105.07019	11.9
105.30595	2.0
107.04936	9.6
107.08598	14.0
109.10134	15.1
115.74007	2.0
117.06974	8.3
119.08582	8.3
121.06479	2.1
121.10129	3.0
125.09620	13.2
131.08522	5.0
133.06416	3.2
133.10107	3.0
135.08040	4.2
137.24501	2.1
144.10210	4.6
145.10048	2.7
147.08029	8.3
159.11662	2.2
184.16611	1.9
205.12250	2.3
223.13251	26.9
236.14929	27.5
273.18439	11.5
291.19485	100.0
313.27243	59.5
365.23178	44.9
430.45990	3.0
474.37692	3.4
523.38849	3.3
603.46136	77.6
673.03156	2.2
682.51624	2.8
750.58282	4.9
782.59790	2.4
800.62091	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	798.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02998	6.4
57.03431	16.6
57.07067	53.5
62.58464	4.8
62.88477	5.7
63.20821	7.2
66.60352	5.9
67.05492	81.6
69.07052	26.3
71.08614	33.2
73.20194	8.1
79.05492	75.5
80.25045	5.6
81.03403	100.0
81.07038	73.7
83.08609	36.5
85.10176	10.3
91.05466	88.6
93.07030	63.8
95.04954	41.4
95.08617	67.6
97.02902	7.6
98.01375	7.9
99.00802	16.0
105.07025	68.9
107.04942	14.8
107.08583	25.4
109.02866	8.7
109.10145	28.9
117.06997	31.6
119.08559	40.1
121.10111	26.5
128.06194	8.8
129.07019	28.8
131.08539	66.2
133.10078	55.8
143.08534	11.4
145.10112	12.0
147.11652	8.6
155.08606	8.4
157.10101	14.5
161.09644	10.9
167.17061	7.0
169.10052	8.8
175.11098	9.4
179.10715	7.9
183.11658	7.9
193.12173	6.7
267.15839	74.8
267.20795	8.9
285.22217	12.0
299.14865	54.3
313.27414	57.0
339.89938	7.3
359.25607	9.8
521.38550	14.1
537.37512	43.8
569.37958	8.9
699.68347	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	798.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.4
57.07061	5.3
58.06592	36.3
59.07087	0.5
59.07369	10.1
60.07856	0.5
60.08150	9.8
64.51406	0.4
67.05493	4.4
67.18357	0.4
69.07054	3.2
69.07349	0.4
71.05000	0.3
71.08630	3.6
73.02909	0.6
75.04466	3.0
79.05486	2.9
81.07037	4.3
83.08593	0.7
84.08126	2.3
85.02872	2.4
85.10162	1.9
86.09717	1.2
87.04447	4.3
91.05473	3.1
93.05473	0.4
93.07020	2.3
95.04945	0.6
95.08577	4.0
97.06523	0.8
102.05503	0.8
104.27222	0.4
105.05503	0.5
105.07018	0.9
107.08587	1.5
109.10146	1.5
113.05988	0.8
117.06992	1.6
119.08632	0.5
121.10138	0.5
129.06966	0.8
131.07001	2.5
131.08528	0.7
133.10149	0.6
144.10188	15.2
145.66809	0.4
150.69592	0.4
157.18628	0.4
162.11185	5.7
184.07346	1.8
195.00237	0.7
200.12907	1.6
218.13774	2.2
236.14893	100.0
237.15186	0.6
247.85608	0.5
313.27399	0.5
367.35449	0.6
409.02026	0.4
412.26645	0.7
412.37735	0.8
426.28323	0.7
444.29590	0.8
456.36771	10.1
474.37854	17.0
492.33084	2.5
510.34042	2.0
546.87988	0.5
627.45673	0.7
628.47406	2.4
682.52374	23.7
730.55969	9.8
748.57007	24.1
749.56732	0.7
762.59186	5.4
766.57330	2.4
780.59692	6.4
798.60718	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.8
57.07070	7.1
58.21628	1.7
59.97575	1.5
61.02900	1.4
63.39104	1.8
64.08501	1.5
67.05500	60.5
69.07071	12.6
70.89108	1.8
71.04967	7.3
72.02702	1.8
73.02912	2.8
79.05485	52.3
81.03405	26.8
81.07043	48.9
82.70579	1.8
83.04962	2.7
83.08613	4.0
91.05468	37.3
93.07033	46.5
95.04962	10.2
95.08598	36.9
97.02895	1.7
97.06510	4.1
97.10107	1.9
103.05463	1.9
105.07017	42.2
107.04942	15.4
107.08576	22.8
109.06526	2.1
109.10127	17.7
115.05449	10.8
117.07015	19.8
119.08580	8.8
121.06503	4.4
121.10126	18.2
123.08098	2.2
123.11663	2.5
128.06200	4.5
129.05484	1.8
129.07011	22.3
131.04929	9.2
131.08553	15.7
133.06487	39.3
133.10109	10.3
135.11667	6.5
141.06973	7.4
143.08578	12.1
145.06410	2.2
145.10130	7.8
147.07993	2.7
147.11673	9.2
149.09601	3.8
149.19495	2.5
155.08539	8.6
157.06560	2.1
157.10129	13.5
157.38123	1.8
159.11697	3.3
161.13342	2.3
166.07805	3.7
169.10092	2.1
171.11674	13.0
173.09650	7.8
175.11125	2.4
181.10112	12.0
189.12749	3.5
192.72824	1.9
199.11230	19.5
217.12241	24.2
236.14915	2.8
256.47421	1.7
258.51978	1.7
261.22150	1.8
291.15891	11.3
313.27408	3.7
335.25751	100.0
342.85571	1.9
459.32343	2.6
521.38245	10.5
551.37402	16.0
569.38171	11.2
583.39508	11.1
628.95752	2.0
662.90326	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	798.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	17.9
57.07059	15.3
67.05499	66.4
69.07064	9.2
71.08622	5.9
71.36754	3.5
79.05480	54.3
81.03404	46.2
81.07040	59.9
83.08625	13.6
85.02872	3.5
91.05476	38.1
93.07030	45.1
95.04963	4.3
95.08590	43.6
97.06480	6.8
105.07018	51.6
107.04947	15.6
107.08585	16.0
109.06490	5.5
109.10155	14.0
115.05445	14.2
117.06985	8.7
119.08549	17.8
121.10141	21.1
129.06996	15.9
131.04950	5.1
131.08589	18.4
133.06493	30.0
133.10094	7.4
134.16988	3.8
135.11722	4.4
139.66850	3.6
143.08560	8.6
145.10117	4.4
147.08127	5.0
147.11708	5.3
149.09621	4.8
157.10112	15.4
163.11134	4.6
166.07729	4.4
171.11687	6.5
173.09579	4.6
181.10104	7.9
189.12737	3.9
193.40408	4.0
197.63785	4.0
199.11147	6.9
207.94958	3.8
213.33806	3.7
217.12291	17.8
263.55939	5.1
267.16028	8.7
291.15979	8.4
305.80066	3.9
313.27390	17.6
335.25714	100.0
336.36584	4.3
362.36624	4.2
391.33575	4.6
505.38297	4.6
551.36969	5.7
569.37885	8.2
583.39319	5.2
607.48352	4.1
713.16962	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	798.463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	20.0
57.07066	2.7
59.05001	2.7
61.02916	10.6
67.05501	50.7
69.03412	6.3
69.07056	12.3
73.02912	4.7
79.05484	35.7
81.03397	14.3
81.07041	49.9
83.01294	3.0
83.04942	2.4
83.08604	17.9
85.02889	13.3
85.06539	3.2
91.03940	4.4
91.05467	74.0
93.07027	41.2
95.04963	18.1
95.08582	17.4
97.02902	10.1
97.06523	5.4
99.00800	26.5
99.08080	3.1
103.05499	2.9
105.06375	2.9
105.07022	55.6
107.04935	5.8
107.08596	25.2
109.02861	20.3
109.06518	6.1
109.10146	13.5
111.08026	4.5
115.03925	2.8
115.05384	4.6
117.06997	55.1
119.08561	31.4
121.06473	15.1
121.10126	10.4
123.04408	3.2
127.03905	5.5
128.06195	11.8
128.31366	3.0
129.05447	2.5
129.07010	45.4
131.08540	56.2
133.06450	3.4
133.10123	49.0
135.07977	5.7
135.11681	11.4
137.09593	3.2
139.03961	2.6
141.06989	24.1
142.07726	2.5
143.08548	25.4
145.06564	2.6
145.10117	34.8
149.09641	3.5
151.11153	14.4
155.08519	12.3
157.10117	12.5
159.11688	10.5
161.09613	26.8
161.13199	2.6
167.08405	2.8
169.10097	25.1
171.07999	3.5
171.11671	6.3
173.09599	2.8
173.13202	5.0
179.10573	9.2
183.11633	14.3
185.13181	3.7
187.11201	4.5
187.14882	4.9
189.09047	3.6
197.13335	10.1
199.14793	4.0
201.12773	4.6
201.16351	15.9
211.14886	3.0
225.11208	10.4
243.20876	3.6
257.22452	3.7
267.21094	11.3
281.13846	4.5
283.15329	17.0
285.22113	52.9
299.14835	100.0
329.87601	2.6
359.25781	15.9
375.25082	3.2
461.19937	10.5
583.35968	14.1
601.37561	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	27.3
67.05491	77.2
68.90099	6.7
69.03421	8.2
69.07053	14.8
79.05486	100.0
81.03401	43.0
81.07037	73.0
83.08587	11.9
85.02885	43.3
89.10277	6.4
91.05463	86.5
92.08681	8.2
93.07037	59.4
95.04974	27.1
95.08584	30.4
97.02858	13.6
100.58727	6.1
103.05447	7.1
105.07008	98.4
107.04948	36.9
107.08595	31.5
109.06435	11.2
109.10120	6.9
117.06992	49.5
119.08544	32.1
121.06490	11.4
121.10121	25.4
123.08021	8.9
129.06987	51.3
129.69002	6.3
131.08542	38.4
133.06502	38.1
133.10123	35.6
135.08046	10.1
141.06979	7.0
143.08612	9.2
145.10136	16.7
147.11690	15.1
148.50708	7.3
149.09572	8.4
155.08571	11.0
157.10037	8.0
159.08000	7.9
169.10117	9.1
171.11700	9.2
181.10017	7.5
193.12254	8.3
199.11139	15.2
216.78969	6.5
217.12161	8.4
269.17548	11.2
275.19946	8.6
285.17020	14.6
309.16818	12.6
333.83484	6.8
390.99884	7.0
503.29877	31.6
554.10083	6.9
565.35437	8.4
583.35748	26.4
660.84308	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	798.463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	29.5
57.07055	12.2
59.04996	3.7
61.02898	14.9
66.71048	2.6
67.05493	62.0
69.03404	15.6
69.07051	15.7
71.04968	6.4
71.08600	14.9
73.02901	4.6
77.09122	3.0
79.05473	72.6
81.03394	28.2
81.07039	55.7
83.01328	7.9
83.04964	23.5
83.08604	20.6
85.02875	13.3
85.06516	4.3
91.03947	4.0
91.05469	100.0
93.07022	74.1
94.54066	2.9
95.04951	27.6
95.08601	35.4
97.02876	21.2
97.06523	17.7
97.10183	4.1
99.08095	4.1
101.05154	3.2
102.05356	2.9
103.05426	5.2
105.07024	60.8
107.04924	15.8
107.08569	36.9
109.06494	7.6
109.10120	5.4
111.07974	3.0
115.05433	12.2
117.06997	75.4
119.08551	37.8
121.06488	4.9
121.10132	16.3
123.08029	13.1
127.03952	4.2
128.06169	6.8
129.05464	3.5
129.06975	46.7
130.06184	3.1
131.08546	57.6
133.06497	4.6
133.10106	14.8
135.08038	14.6
135.11679	17.0
141.06981	30.2
142.07718	3.9
143.08527	24.4
145.10098	50.0
147.08008	6.7
149.09616	6.7
155.08505	23.6
157.10147	22.2
159.11647	13.4
161.09624	5.1
163.11136	27.3
167.08606	4.1
169.10045	23.0
171.11632	6.3
173.09547	5.2
173.13240	6.0
183.11642	13.1
185.09590	4.8
187.11215	6.0
187.14850	3.9
200.51855	3.0
201.16365	6.0
227.69897	3.6
267.21097	13.1
273.22137	3.8
283.15350	91.3
283.20242	3.7
285.22147	25.3
301.21484	3.9
327.78177	3.7
335.26007	3.8
352.99603	3.1
359.25696	15.1
439.70044	3.5
501.28540	6.9
567.36768	5.4
568.25800	3.6
644.04224	3.8
798.40869	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	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.9
61.02920	10.1
62.25434	0.5
67.05491	8.1
69.03411	5.5
69.07050	0.8
71.01349	0.5
73.02908	5.9
79.05476	5.1
81.03403	1.4
81.07041	8.0
85.02900	8.2
87.85403	0.6
91.03944	4.3
91.05462	3.2
92.08657	0.5
93.07043	5.7
95.04945	0.9
95.08592	5.8
97.02868	8.0
97.06484	0.6
101.02375	3.4
103.03922	0.6
105.07054	2.0
107.08562	3.0
109.02849	0.7
109.10132	1.9
109.69040	0.6
115.03876	0.6
117.07034	0.7
119.08562	0.9
121.10098	2.4
127.03918	1.2
131.08562	1.0
133.10112	0.8
135.11697	1.3
147.11694	0.8
185.04196	0.7
243.08401	2.5
335.26059	0.8
519.29199	11.8
797.51611	100.0
798.51611	2.1
821.67249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	15.0
57.07067	10.4
58.47687	2.2
61.02913	36.2
64.98112	2.5
65.36035	2.4
65.64301	2.6
67.05489	60.9
68.37225	2.1
69.03410	12.8
69.07029	19.3
71.04971	3.9
71.08622	3.9
73.02895	13.9
79.05476	47.1
81.03395	5.4
81.07036	59.0
83.04963	4.3
83.08614	10.4
85.02446	3.1
85.02887	29.0
91.03908	4.3
91.05456	42.2
93.07014	40.8
95.04927	6.5
95.08574	37.7
95.71888	2.3
97.02863	23.6
97.05584	2.6
97.06488	3.3
101.02386	5.8
105.07015	42.7
107.04945	3.4
107.08573	23.7
109.06541	3.0
109.10142	11.5
117.07009	19.6
119.08555	27.3
121.10105	9.8
127.03912	2.6
128.06102	2.7
129.06975	21.3
131.08536	26.9
133.10106	14.0
135.11713	3.9
141.06950	9.9
143.08569	28.9
145.10129	21.5
147.11671	12.7
154.07750	2.9
155.08528	20.7
157.10126	13.2
159.11697	5.6
167.08554	12.7
169.10072	25.3
171.11703	6.4
173.13210	4.9
175.14832	2.7
179.08580	4.5
181.10034	21.7
183.11656	18.3
185.13185	5.8
192.09265	2.8
193.10097	15.0
195.11681	20.1
197.13345	3.1
199.14830	5.9
205.10222	3.4
207.11667	10.3
209.13239	17.4
211.14862	5.6
213.16455	3.1
219.11555	9.3
221.13170	11.5
223.14893	4.2
237.16394	4.6
239.17891	3.3
249.16312	3.3
292.60345	3.0
295.03680	3.0
543.42072	5.3
561.43433	3.2
617.45392	4.7
635.46582	100.0
797.51630	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	796.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	24.3
61.02911	10.9
62.26243	4.7
64.07029	5.3
67.05501	53.0
69.03416	10.4
69.07067	38.6
71.04945	9.4
73.02895	9.1
74.16553	5.4
79.05464	75.7
81.03392	24.4
81.07041	64.3
82.96690	4.5
83.04984	11.8
83.08611	11.1
85.02898	26.0
87.39772	6.0
88.92065	5.3
91.05458	89.6
93.07024	80.9
95.04948	27.0
95.08579	27.9
97.02837	11.6
97.06459	10.1
105.07003	60.4
107.04947	28.0
107.08577	27.9
107.12791	5.2
115.05429	10.6
117.06979	51.4
119.08595	44.3
121.06501	9.9
121.10107	19.0
125.09611	7.7
128.06206	8.8
129.06984	38.7
131.08575	39.9
133.06425	8.8
133.10103	19.6
135.08040	10.2
135.11729	6.5
141.06981	10.8
143.08562	10.3
145.10118	30.1
147.08012	7.4
154.82190	6.2
155.08521	23.2
157.10109	12.3
159.06712	5.7
159.11722	6.3
163.11104	19.9
169.10153	20.3
171.08022	6.6
171.11670	8.0
181.10063	7.0
199.11209	5.9
283.15271	49.4
291.19547	29.5
309.16644	6.9
355.36746	5.7
365.22986	8.1
501.28613	10.0
581.35004	12.7
599.35522	23.5
795.45251	41.9
796.45538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	24.3
57.57101	3.4
61.02924	8.6
64.25753	3.7
64.33397	4.1
66.84345	3.9
67.05497	47.7
68.40790	4.3
69.03420	17.5
69.07061	28.6
71.04960	5.8
79.05475	84.1
81.03405	31.7
81.07042	53.5
83.01341	10.2
83.04977	20.7
83.08621	9.9
83.76328	4.5
85.02900	20.5
91.03956	5.0
91.05457	81.5
93.07028	65.3
95.04951	28.3
95.08588	24.9
97.02883	21.8
97.06530	6.6
97.10159	4.4
99.04440	4.8
105.07008	59.4
107.04937	21.7
107.08585	29.3
109.06536	8.5
109.10143	6.7
115.05449	7.2
117.06992	50.6
119.08567	25.6
121.06496	6.8
121.10134	17.3
123.08017	6.3
128.06195	6.9
129.06979	40.9
131.08562	45.9
133.06485	16.5
133.10138	25.3
135.08029	17.5
135.11671	8.5
141.06976	22.0
143.08565	20.1
145.06403	8.4
145.10072	33.5
147.08012	7.7
155.08496	9.9
157.10089	6.9
159.11633	7.5
163.11130	9.7
169.10153	18.5
171.11681	6.1
173.13275	4.6
183.11679	6.5
185.13176	6.3
199.11069	6.6
201.12724	10.4
217.12274	6.7
227.12723	4.6
283.15344	51.0
291.19543	26.5
309.16809	6.9
501.28299	19.1
536.28973	7.4
581.34607	18.9
599.35962	22.7
653.67175	5.0
795.45172	34.0
796.45172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.3
57.07090	2.1
61.02911	4.2
65.57598	1.7
67.05491	9.7
69.03429	2.7
69.07075	2.8
70.06571	4.7
73.02903	4.0
79.05479	9.5
80.64662	2.0
81.03397	4.8
81.07050	9.8
85.02909	4.4
88.07608	4.9
91.03918	2.3
91.05475	3.7
92.09320	6.5
93.07031	4.7
95.08586	4.1
97.02862	8.3
98.36628	2.1
103.01641	1.7
104.44913	1.8
105.06992	3.3
119.08534	2.4
121.10173	2.9
149.02328	19.3
150.02693	2.5
178.91010	1.9
185.04166	2.1
193.05043	6.2
200.20120	10.7
243.08563	2.3
248.83052	2.0
301.08960	2.9
469.20248	3.3
501.19208	2.6
667.33014	2.9
709.33875	8.5
736.56708	2.0
777.39642	2.8
795.41785	100.0
810.83990	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62799	1.2
57.03428	1.5
57.07080	1.3
61.02924	7.0
67.05512	8.3
69.03426	2.6
73.02911	2.7
79.05480	11.0
81.03429	2.8
81.07056	8.2
82.52504	1.5
85.02918	9.2
91.03951	2.3
91.05460	11.6
92.64259	1.6
93.07023	11.0
93.60516	1.3
95.04971	3.2
97.02926	6.1
105.07072	5.8
107.08625	3.0
117.07023	2.7
119.08612	3.0
121.10170	1.7
129.07019	2.0
131.08557	1.7
133.10158	1.5
135.85442	1.8
143.08653	1.6
147.11731	1.6
189.91710	1.4
197.29918	1.5
211.73581	1.7
243.08400	3.2
244.27565	1.8
283.15485	6.9
301.09192	2.3
317.21094	1.6
341.14090	1.7
369.50607	1.6
501.23077	12.6
535.29126	7.5
618.04742	1.7
709.32288	6.5
795.45074	100.0
796.44775	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	795.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92825	1.3
56.61073	1.4
57.03426	13.5
57.07063	2.8
61.02917	36.5
64.33918	1.8
65.03926	3.5
67.05495	55.5
69.03414	16.9
69.07056	17.2
71.04973	2.0
71.08618	2.0
73.02910	13.8
73.03661	1.2
79.05052	2.5
79.05476	47.8
81.03391	7.4
81.07044	41.9
83.04942	2.7
83.08601	9.6
85.02884	22.3
85.06523	1.6
86.09668	1.5
87.04440	3.4
91.03915	11.0
91.05458	42.5
92.08599	4.0
93.07030	41.7
95.04936	7.5
95.08579	36.9
97.02870	20.0
97.06497	3.0
97.10152	3.3
99.04402	1.8
101.02361	2.5
105.04511	1.8
105.07029	37.1
107.08593	24.3
109.02852	1.8
109.06515	1.9
109.10160	14.5
115.05390	2.9
117.06994	30.2
119.08566	26.7
120.28881	1.4
121.10132	11.5
123.08041	2.5
123.11675	2.4
127.03910	1.6
128.06194	11.1
129.06996	27.6
131.08557	36.6
133.10088	21.8
135.11647	7.6
141.05977	2.2
141.06973	20.6
142.07790	2.6
143.08557	27.0
145.10074	21.7
147.11684	7.8
149.09572	2.4
153.06987	2.2
154.07779	2.8
155.08545	26.7
156.09328	3.1
157.10110	24.7
159.11653	14.4
161.13258	2.3
165.06947	3.4
166.07698	2.3
167.08534	17.2
168.09280	5.6
169.10097	25.4
171.11671	16.4
171.81313	1.8
173.13162	11.0
178.07886	2.5
179.08530	14.1
180.09280	3.2
181.10089	23.9
182.10878	2.9
183.11674	20.4
184.07297	2.1
185.13261	11.4
191.08536	3.4
192.09363	1.9
193.10153	14.2
194.10857	3.0
195.11652	18.7
196.12462	1.6
197.13190	15.6
199.14833	6.6
201.12782	2.1
205.10066	9.5
206.10846	2.8
207.11671	13.8
209.13222	12.7
211.11092	2.0
211.14767	6.0
213.16367	2.7
217.10132	2.5
218.10710	1.9
219.11693	10.4
221.13263	16.1
223.14767	7.9
225.12653	1.9
225.16458	5.0
231.11722	2.8
233.13184	8.8
234.13771	1.7
235.14763	8.7
237.16333	3.1
246.14001	2.0
247.14772	3.6
249.16373	2.4
251.17993	2.9
259.14841	3.0
261.16278	3.6
263.17966	2.4
265.19556	3.1
273.94800	1.8
275.14258	1.8
279.20941	2.8
287.05939	1.6
287.17596	2.3
441.31265	2.5
505.39175	2.2
523.39484	2.2
541.39734	9.6
615.43671	6.8
633.45032	100.0
634.44849	6.3
795.50659	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	8.6
57.07080	3.2
67.05496	61.7
69.03416	7.2
69.07055	22.5
79.05478	78.4
81.03394	31.5
81.07036	56.9
83.04987	15.6
83.08620	5.7
85.06509	3.8
91.05470	100.0
93.07034	51.6
95.04942	20.3
95.08587	28.9
95.23669	3.5
97.06510	15.1
103.05454	6.5
105.07030	48.5
107.04916	15.9
107.08588	21.2
109.06520	8.5
111.08739	3.6
115.05435	6.0
115.08963	3.5
117.06995	52.2
119.08548	45.3
121.06466	5.3
121.10133	16.3
123.08055	4.2
125.09650	3.7
127.03893	4.2
128.06244	15.6
129.06982	77.4
131.08565	33.5
133.06476	5.8
133.10133	16.8
135.08047	6.5
135.11630	3.8
141.06979	18.8
143.08560	24.0
145.06435	4.1
145.10120	16.1
147.08061	17.9
147.11662	7.8
149.09566	8.1
153.06963	3.8
157.10248	3.7
159.11697	6.4
161.09593	4.2
161.13216	3.2
165.06898	3.7
167.08534	8.4
169.10158	15.8
171.11668	14.1
173.13232	4.0
183.38126	3.7
185.13205	6.6
187.11224	6.5
195.11578	6.2
213.12776	5.9
269.17426	18.5
275.20239	4.8
286.14099	4.1
305.17422	17.0
349.23734	14.1
367.72659	3.5
398.07370	3.5
456.89609	4.1
485.28470	5.4
487.02960	4.1
499.30356	23.2
574.67383	4.0
579.36481	15.1
609.87720	4.1
708.30835	5.0
794.41876	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	26.3
57.03439	4.1
58.07721	3.5
59.55371	3.0
65.03954	4.2
67.05492	100.0
69.03415	7.5
69.07051	20.2
71.14341	3.2
73.02901	3.3
74.83185	3.2
79.05471	74.9
81.03404	6.9
81.06591	5.2
81.07036	88.1
83.08573	5.7
85.02863	6.4
88.31611	2.9
91.05459	46.8
92.11401	3.1
93.07026	86.9
95.04950	7.8
95.08587	71.2
97.02856	4.3
97.10145	3.3
100.26456	3.1
102.82431	3.2
105.07017	39.4
107.08557	39.0
109.10153	29.2
117.06997	8.7
119.08588	27.5
121.10129	43.8
123.11693	8.6
129.06976	6.1
131.08549	33.0
133.10098	22.7
135.11684	21.3
143.08527	7.1
145.10117	21.0
147.11647	13.4
149.13277	16.4
159.11676	5.5
161.13226	7.4
163.14714	5.4
173.13222	5.3
187.14810	6.2
187.99139	3.8
236.14824	4.7
243.21075	7.9
261.22092	37.1
335.25830	13.0
353.26785	14.3
597.81519	4.5
702.67365	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	794.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	12.3
57.12532	1.5
58.51368	1.5
58.64885	1.7
61.02927	2.1
63.61825	1.9
65.03924	1.9
67.05491	70.8
69.03418	4.2
69.07047	24.3
71.04987	4.0
75.19418	1.6
79.05475	97.1
80.24080	1.6
81.03411	16.6
81.07039	51.7
83.04958	18.2
83.08617	3.0
85.02892	3.0
85.06529	2.5
91.05462	100.0
92.24351	1.8
93.07020	61.7
95.04948	29.4
95.08595	34.9
97.02869	4.3
97.06522	13.0
97.10126	2.4
101.66135	2.1
103.05449	10.8
105.07015	68.9
107.04924	14.4
107.08580	21.0
109.06515	10.9
109.10146	7.5
111.04369	2.0
111.08047	2.3
115.05399	13.1
117.06989	49.4
119.08571	34.2
121.06480	8.3
121.10133	10.2
123.08054	10.3
128.06201	11.9
129.06981	47.4
131.08545	41.7
133.06474	4.5
133.10095	16.0
135.08034	8.5
135.11707	2.9
137.09579	2.6
137.39706	1.8
141.06998	22.4
142.07703	3.6
143.08556	27.8
145.06494	4.0
145.10112	22.6
147.08057	3.2
147.11658	19.7
149.09700	3.5
154.07799	3.7
155.08545	15.2
157.10127	13.1
157.88164	2.1
159.07976	3.0
159.11671	11.5
161.09610	7.7
161.13187	10.1
163.11119	3.1
163.61766	2.1
167.08554	9.0
169.10075	21.1
171.11697	18.7
173.13257	3.0
174.40929	2.2
175.11163	4.1
178.07806	2.2
179.08551	3.5
181.10178	7.5
183.11673	10.7
185.09576	2.5
185.13261	2.9
187.11125	10.0
189.12737	7.5
193.10081	3.3
195.11670	3.5
197.13248	9.1
199.11075	3.3
201.12737	4.7
207.13788	14.8
215.14333	2.2
221.13081	2.1
275.16092	2.0
279.15961	2.4
281.17310	53.0
293.17416	3.3
299.73630	2.3
330.35318	2.2
373.23480	4.1
485.28867	10.3
499.30408	35.5
520.58655	2.2
579.36963	20.2
597.37469	2.0
794.43518	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
55.05503	29.6
55.83039	0.7
57.03175	1.2
57.03429	21.7
57.07071	5.8
59.08670	0.7
61.02901	5.4
61.47683	0.8
64.33304	0.8
65.03925	3.6
67.05489	96.4
69.03410	1.5
69.06712	1.1
69.07051	24.2
71.04958	3.1
71.08594	1.0
73.02891	1.2
76.55959	0.9
79.05472	62.6
81.03400	0.7
81.07037	85.4
83.04971	2.0
83.08601	11.3
85.02871	3.6
91.05461	35.8
91.06327	0.9
93.07021	73.5
93.23930	0.8
93.70056	0.7
95.04932	9.0
95.08585	66.9
95.30101	0.7
97.02857	1.8
97.06484	1.9
97.10160	1.7
99.08141	0.8
101.42955	0.8
102.10641	0.8
105.04489	1.0
105.06372	1.5
105.07017	27.6
105.93275	0.8
107.08581	34.1
109.06509	1.9
109.10144	27.9
111.66208	0.8
117.07005	12.1
119.08553	22.1
119.21528	0.7
121.10119	26.1
123.08048	0.8
123.11666	8.6
125.09621	0.7
129.06967	1.3
131.08537	17.8
133.10089	19.3
135.11673	18.8
137.13240	1.7
143.08502	1.7
145.10117	12.9
147.11655	12.0
149.13223	10.1
157.10059	1.3
159.11662	13.2
161.13232	7.4
163.14749	5.2
171.11667	1.9
173.13182	8.0
175.14734	3.3
185.13200	1.9
187.14813	3.6
199.14728	0.9
201.16359	1.0
221.60910	1.0
241.19463	3.7
243.21034	5.4
259.20569	6.8
261.22098	18.3
263.23557	1.0
274.88400	0.9
317.24750	1.6
333.24197	6.9
335.25720	100.0
336.26099	1.9
337.27231	9.3
444.83817	0.9
521.43176	1.4
595.47192	17.9
613.48120	17.1
803.65240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.9
55.05511	33.6
57.03434	23.5
57.03649	2.4
61.02896	2.2
62.12279	2.4
62.65333	2.3
62.67665	2.4
64.89037	2.4
65.03924	2.4
67.05495	77.7
69.03416	4.2
69.07056	27.2
71.04951	4.3
77.98899	2.4
79.05476	61.0
81.03405	65.6
81.07041	100.0
83.04971	20.4
83.08588	35.0
85.02895	35.1
85.06536	4.4
85.13862	2.5
91.05476	61.4
93.07030	58.4
95.04964	30.7
95.08603	33.3
95.84674	2.4
97.06505	15.1
97.10149	11.3
105.07010	43.2
107.04917	15.0
107.08583	39.3
109.06499	15.9
109.10144	27.2
111.04414	3.1
111.08072	14.0
117.07013	15.3
119.08566	40.4
119.83469	2.7
121.06507	5.5
121.10152	21.1
123.08051	3.4
123.11699	6.5
125.09605	6.2
129.06978	17.1
131.08585	27.4
133.06454	5.5
133.10121	34.5
135.08029	6.8
135.11713	3.6
137.09578	5.5
143.08533	3.2
145.10080	5.2
147.08078	4.2
147.11682	23.3
149.09625	15.0
149.13226	11.9
155.34152	2.8
157.10097	19.9
159.11667	14.8
163.03973	2.9
163.11095	4.8
165.12747	3.3
171.11732	2.8
175.11156	18.8
193.12219	44.7
211.13300	32.0
227.12915	4.3
229.14281	10.0
257.19028	6.5
267.15768	21.7
269.17444	17.2
274.46677	3.3
275.20023	22.9
285.16879	26.8
343.44489	3.1
349.23740	18.0
367.24887	5.2
439.26804	16.8
461.29150	27.0
479.29898	67.3
541.27850	3.0
541.35107	25.4
559.36249	42.7
577.37378	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	790.5801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
57.03437	12.5
64.26231	2.7
70.48662	3.1
85.02850	4.0
86.09716	4.2
124.99951	2.9
141.51410	2.8
146.86554	2.9
184.07397	16.7
240.55609	2.9
321.68329	3.0
335.21848	12.4
376.56940	2.8
428.02551	3.3
447.27066	15.2
584.47406	3.3
687.51306	13.7
703.51154	100.0
731.49805	6.6
753.57782	3.5
790.57880	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	791.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.0
55.05499	4.0
57.03441	4.4
57.07087	2.3
59.04974	1.8
61.02908	3.7
65.78442	1.7
67.05497	14.5
69.03409	7.9
69.07054	2.4
71.05000	1.9
71.08621	4.8
71.38862	1.6
73.02913	3.3
79.05486	12.0
81.03450	6.1
81.07053	10.3
85.02888	4.6
89.06042	4.2
91.03894	2.3
91.05462	11.1
91.52752	1.9
93.07034	8.7
95.04962	3.1
95.08619	8.1
97.02910	3.9
103.05457	2.3
105.07031	8.4
107.08629	3.1
109.10123	3.6
117.07038	7.9
119.08570	4.7
123.11754	2.2
124.25552	1.7
125.07400	2.1
129.07013	2.6
131.08568	3.3
142.50896	1.9
157.10112	2.2
181.87396	2.0
184.07390	4.6
241.17242	2.2
295.15106	3.4
323.61203	2.2
419.30054	2.7
513.22998	3.1
593.38684	3.2
675.45654	2.6
694.68286	2.3
791.45398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
55.05495	1.8
57.07072	2.8
57.85960	1.2
61.02915	5.6
67.05494	7.7
69.03423	2.6
69.07060	2.1
71.08609	2.3
73.02911	3.2
79.05497	2.0
81.03399	2.0
81.07055	6.9
83.08614	1.8
85.02902	6.4
91.03941	2.2
91.05457	2.6
93.07056	2.5
93.50996	1.3
95.08610	3.2
96.72563	1.5
97.02892	5.8
104.78970	1.5
105.07062	2.3
107.08575	2.2
109.10149	1.5
110.30214	1.3
117.06956	1.7
131.71771	1.8
133.10144	2.0
139.83804	1.4
171.11685	1.9
184.07315	2.0
243.08450	2.4
301.08865	2.3
304.90302	1.6
317.43222	1.5
335.25931	1.7
448.86948	1.5
497.30847	8.5
535.28906	8.9
650.67194	1.6
746.67706	2.0
791.52655	100.0
792.53290	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	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.5
60.07863	0.3
60.08155	9.5
67.05506	0.4
67.12798	0.3
69.41680	0.3
71.07359	5.1
86.09693	51.1
87.10006	0.3
88.63794	0.3
98.98452	4.6
104.10122	0.4
104.10713	3.4
114.37329	0.3
124.99986	35.5
127.39825	0.3
143.01033	0.5
158.00134	0.3
172.30124	0.4
184.07312	100.0
186.43646	0.3
221.46600	0.4
236.15004	0.5
336.58463	0.3
524.18555	0.4
541.12323	0.4
564.40192	0.4
599.80713	0.3
690.46924	2.6
772.54871	1.4
790.55725	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	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
55.05509	37.3
55.29744	1.9
57.03428	16.7
59.04993	34.7
61.02913	3.9
65.03906	2.7
65.80210	2.2
67.05142	3.5
67.05499	100.0
69.03403	3.4
69.07050	14.6
71.04977	10.2
71.57945	2.1
79.05488	43.2
81.03377	2.5
81.07045	53.1
83.04973	4.5
83.08607	12.2
85.02892	3.1
85.06551	2.6
86.09718	2.6
87.04465	44.7
91.05474	28.5
93.07038	43.0
95.04980	4.8
95.08593	40.7
97.10155	12.9
99.04457	13.7
105.07013	15.4
106.90315	2.3
107.08603	26.6
109.06525	2.3
109.10154	45.0
111.08178	3.9
117.06982	4.4
117.71229	2.1
118.25058	2.3
119.08583	12.9
121.10123	14.2
125.09633	4.9
131.08530	13.4
133.10052	8.1
135.11694	10.6
145.10123	5.7
145.42792	2.1
163.11201	2.7
173.11696	8.9
184.07277	4.1
199.13232	2.9
229.14333	15.5
261.22040	5.5
267.15955	3.1
335.25763	33.4
454.01791	2.6
477.35709	13.3
486.36459	2.6
489.35718	29.5
543.37482	3.7
771.44183	2.8
790.43274	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	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	9.2
55.05228	2.2
55.05500	45.6
57.03430	22.4
59.04972	12.0
59.11464	1.6
61.02909	4.4
61.68306	1.4
65.03926	1.5
67.05148	2.4
67.05493	72.2
68.41513	1.5
69.03405	4.2
69.07053	23.3
69.31513	1.6
71.04961	9.4
73.02902	2.1
79.05475	71.2
81.03399	66.6
81.06599	3.1
81.07037	57.5
83.04958	11.4
83.08598	24.2
85.02860	3.4
85.06505	3.6
91.03947	1.9
91.05456	74.5
92.05809	1.8
93.07019	74.1
95.04952	33.2
95.08579	42.7
97.02850	9.0
97.06512	7.4
97.10128	11.3
103.05452	1.9
105.07005	74.4
107.04925	9.9
107.08574	40.2
109.06470	8.3
109.10143	19.5
111.08054	7.6
115.05470	2.8
117.06996	28.7
119.08554	61.7
121.06474	10.1
121.10114	29.5
123.04375	2.2
123.08062	3.1
125.09583	8.3
128.06154	3.3
129.05450	2.2
129.06976	25.9
131.08540	38.0
133.06451	7.1
133.10081	34.6
135.08017	7.7
135.11644	15.6
137.09607	3.2
137.11511	1.6
141.06905	3.8
143.08522	18.1
145.06531	2.8
145.10085	35.2
147.08000	7.1
147.11646	27.2
149.09601	9.5
149.13263	7.3
151.11101	2.2
153.06956	2.1
155.08528	7.9
157.10139	18.7
159.11671	22.7
161.13237	12.5
163.11122	8.5
163.14821	2.1
165.12770	2.6
169.10049	13.5
171.11665	16.0
173.09511	2.3
173.11823	3.0
173.13080	12.7
175.11118	3.3
175.14822	4.0
177.12769	2.0
179.08653	2.3
181.10071	4.3
183.11629	8.3
185.13165	10.6
187.11118	3.8
187.14778	2.9
189.11142	3.1
193.10332	1.9
193.12228	10.2
195.11638	4.3
197.13129	6.4
199.14745	4.2
209.13255	3.3
211.14861	2.0
215.13971	1.9
219.16873	1.8
221.13123	2.0
227.12749	3.5
241.19415	4.3
259.20505	14.0
267.15845	13.5
275.19864	2.6
278.93134	1.8
283.20419	3.0
299.23654	7.9
301.16092	2.4
327.78375	2.1
333.24097	8.3
415.28711	2.0
421.25644	8.2
433.30750	9.7
435.27283	7.3
451.32034	8.7
469.33167	2.4
507.34265	3.5
517.35315	3.2
525.35760	45.6
543.36725	100.0
557.38220	10.3
575.39673	17.3
611.71167	1.9
746.87170	2.0
776.56189	2.3
790.40417	6.8
791.40686	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.7
55.05505	51.4
57.03429	32.3
59.04981	3.3
61.02907	4.3
65.27585	1.6
67.05492	100.0
69.03408	10.4
69.07054	42.7
71.04988	15.6
79.05478	82.2
81.03401	47.0
81.07040	97.5
81.07433	1.7
81.07529	2.3
83.01319	12.1
83.04959	30.5
83.08601	34.8
85.02882	20.8
85.06532	8.7
91.04879	2.8
91.05460	77.8
93.07027	75.3
93.83652	1.9
95.04945	26.8
95.08589	39.7
97.02869	9.5
97.06510	38.6
97.10161	16.2
99.04447	4.1
99.08066	3.3
103.05404	3.1
105.07022	52.2
107.04941	24.7
107.08582	51.4
109.02854	3.0
109.06507	22.9
109.10145	40.0
111.04394	3.7
111.08054	11.2
115.05408	2.5
115.07550	2.3
117.06981	21.1
119.08550	40.4
121.06470	11.6
121.10134	26.5
123.08061	17.0
123.11652	1.9
125.05968	2.2
125.09592	7.7
127.03851	1.9
129.06999	15.5
130.07762	2.5
131.08542	28.5
133.10100	28.1
135.08052	10.6
135.11679	20.3
137.09586	11.6
143.08577	7.5
145.06425	2.4
145.10098	31.8
147.08040	8.5
147.11681	14.5
149.09544	14.1
149.13251	4.4
151.11160	3.2
153.08882	2.2
153.12781	2.9
155.08499	2.8
157.10123	10.1
159.11667	10.9
161.09572	1.8
161.13235	2.7
163.11160	34.0
163.42633	1.8
171.11664	3.0
173.09560	3.0
173.11777	4.1
173.13179	2.2
175.11130	2.8
189.11162	3.3
191.10600	4.3
193.12282	13.3
209.11743	2.5
211.13290	10.0
227.12680	12.0
229.14336	21.3
257.18979	2.3
263.52701	2.2
267.15970	3.7
269.17419	15.9
273.18387	11.5
275.20078	17.6
283.15356	54.2
285.16827	15.0
291.19443	9.0
349.23605	12.2
365.23257	3.6
367.24612	4.5
409.58218	2.2
437.25293	33.2
459.27432	2.4
461.28998	2.6
477.28400	53.9
479.30084	8.4
539.33160	3.5
557.34576	42.6
575.35669	26.8
593.35730	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	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.2
56.05020	0.9
57.03406	0.1
58.06597	0.6
59.07371	0.2
60.08154	8.5
60.08461	0.3
67.05489	0.3
69.07045	0.2
70.06631	0.1
71.06991	0.2
71.07358	4.8
74.09722	0.1
79.05466	0.2
81.07036	0.2
85.60919	0.1
86.09690	45.7
93.06995	0.2
95.08578	0.3
98.98440	4.0
104.10717	4.2
112.18815	0.1
116.99516	0.2
124.99980	32.9
134.59541	0.1
143.01041	0.6
149.17923	0.2
158.89673	0.2
184.07306	100.0
185.07632	0.3
202.36012	0.2
232.58708	0.1
236.14885	0.9
292.21289	0.1
452.15729	0.2
457.51682	0.2
595.12500	0.2
690.47357	1.2
716.35382	0.2
770.53064	1.0
777.03955	0.2
788.54303	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	789.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	21.2
55.98624	3.4
56.41714	3.3
57.03429	18.3
58.06594	3.3
59.04979	4.5
60.08168	5.0
62.16413	3.5
67.05499	61.2
69.03329	4.1
69.07056	26.9
79.05479	53.6
81.07045	68.8
83.08608	8.5
86.09693	6.3
91.05453	50.6
93.07014	55.6
95.04963	6.0
95.08592	40.1
102.52712	3.8
105.07003	55.1
107.04967	9.1
107.08572	18.4
109.06529	4.1
109.10153	10.0
117.07030	17.2
119.08554	31.5
121.10114	6.8
124.99990	6.5
131.08521	28.4
133.10074	32.9
135.11646	6.0
145.10114	9.2
147.11688	7.8
159.11705	6.7
179.14278	5.1
184.07298	31.0
189.07559	4.2
214.10863	3.9
219.17433	32.3
236.14943	9.0
275.19937	27.4
335.25848	33.2
349.23645	9.3
609.45038	100.0
789.55652	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	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.2
55.05503	49.6
55.21367	0.6
56.45393	0.9
57.03426	21.8
57.07060	0.9
59.04997	1.4
61.02908	5.2
65.03929	3.2
67.05490	60.2
69.03419	9.4
69.07054	24.2
71.04983	9.0
72.32779	0.7
73.02909	1.4
77.58805	0.7
79.05472	69.3
79.99789	0.7
81.03400	72.4
81.07036	100.0
83.04517	1.4
83.04966	27.2
83.08108	1.7
83.08598	38.3
85.02888	32.2
85.06546	3.3
91.05459	63.2
93.07024	47.4
95.04946	46.3
95.08588	31.2
97.02876	6.1
97.06503	12.0
97.10148	32.5
99.04439	3.6
99.08056	3.5
103.05445	1.0
105.04478	0.8
105.07012	48.2
107.04942	23.7
107.05624	1.4
107.08562	29.9
109.02895	0.9
109.06493	16.5
109.10140	14.0
111.04431	20.9
111.08055	17.4
113.05996	3.3
115.05432	3.1
117.06988	17.8
119.04931	3.6
119.08559	43.7
121.06494	11.5
121.10126	21.4
123.04491	0.9
123.08045	26.7
123.11710	3.2
125.05966	1.4
125.09611	25.7
127.03990	0.8
128.06195	1.7
129.05499	1.3
129.06973	19.9
131.04924	0.7
131.08540	27.3
133.06471	6.6
133.10104	22.6
135.08044	9.7
135.11647	12.4
137.09575	7.1
142.07768	5.2
143.08542	7.5
145.06451	3.2
145.10092	22.7
147.08026	15.3
147.11661	21.2
149.09584	14.6
149.13174	0.9
151.11163	1.6
153.09068	3.8
153.12759	5.0
155.08516	6.5
157.10121	20.6
159.08086	1.1
159.11699	4.8
161.09605	10.5
161.13264	1.8
163.11160	21.9
165.09067	5.3
165.12735	3.7
171.07997	1.2
171.11667	3.1
173.09605	4.3
173.13165	1.6
175.11151	20.0
177.12631	3.0
179.10713	1.2
181.12231	10.3
185.09592	1.1
185.13275	3.8
187.11157	1.1
189.11165	14.2
189.12663	1.9
191.10585	6.4
193.12213	35.5
199.11163	1.0
211.13239	33.0
213.16437	0.9
219.13864	1.0
223.13242	1.5
227.12720	17.9
231.13800	1.0
237.16386	0.8
245.18919	4.8
249.14842	1.9
255.17358	1.6
263.19888	1.1
267.15866	18.5
273.18448	29.4
283.15347	7.4
285.16898	41.2
291.19485	56.5
309.20456	6.8
329.21179	0.8
347.22302	8.5
365.23145	28.5
383.24286	13.8
465.29593	1.8
477.28391	1.3
483.30603	1.0
493.28024	1.3
539.33740	6.5
557.34680	31.8
575.35669	52.1
593.36865	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	788.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.8
55.05506	32.5
57.03424	13.8
57.07043	1.1
58.70397	0.7
59.04969	3.6
61.02909	1.5
64.91146	0.7
65.03924	1.7
67.05492	100.0
68.17905	0.8
69.03398	4.1
69.07055	21.9
71.04961	5.1
73.06516	1.3
76.56799	0.8
79.05475	79.9
81.03395	11.6
81.07040	77.9
83.04961	17.6
83.08601	19.8
85.02888	3.6
85.06521	6.4
91.05462	66.7
92.08673	0.9
93.07022	76.3
95.04944	28.7
95.08585	33.0
97.02853	3.1
97.06500	10.3
97.10146	7.9
99.00787	3.4
99.04427	1.1
99.08041	1.5
102.43790	0.9
103.05448	1.6
105.04530	1.3
105.07014	51.0
107.04948	13.7
107.08578	33.4
109.02887	1.5
109.05360	0.8
109.06506	9.9
109.10145	46.5
111.04395	0.8
111.08044	4.3
113.05944	0.9
115.03902	0.9
115.05420	1.5
117.06986	16.3
119.08565	34.8
121.06491	8.2
121.10119	13.4
123.08018	7.8
123.11639	3.3
125.09586	7.5
128.06187	1.9
129.06984	17.5
130.07796	1.3
131.08543	14.9
133.06459	3.2
133.10109	30.2
135.08005	5.5
135.11664	8.2
137.09569	5.4
141.06963	0.9
143.08536	12.9
145.10106	19.1
147.08047	4.9
147.11661	32.8
149.09596	8.0
149.13231	5.1
151.11156	3.9
155.08519	3.0
155.10637	1.3
156.09286	1.1
157.10120	4.6
159.11649	6.3
161.09610	6.1
161.13222	10.8
163.11165	6.4
165.12778	1.2
168.89371	0.8
169.10120	1.3
171.11644	19.2
173.11705	8.4
173.13210	2.7
175.11189	1.1
175.70876	0.8
177.12704	1.1
179.10559	1.2
183.11658	1.3
185.13136	1.1
187.11118	1.0
189.11214	1.6
189.12717	5.0
193.12080	1.0
197.13255	1.3
207.13800	10.4
211.13249	1.0
223.13333	1.4
225.11160	1.9
227.12730	6.0
229.14333	15.2
229.19458	1.2
239.17908	1.4
257.18884	4.1
269.17499	8.0
275.20013	23.1
281.17419	31.9
293.21021	3.7
299.14767	10.1
349.23627	11.5
367.24500	6.5
416.85089	0.9
435.27356	61.6
475.30542	42.0
476.31113	0.9
493.27524	4.5
532.77783	1.1
555.36768	40.3
573.38452	11.4
591.35071	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	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.5
55.05506	42.9
55.40682	1.8
55.55695	1.6
57.03428	24.8
59.04990	3.9
61.02924	3.0
62.41956	1.8
63.09771	1.7
65.03908	3.2
67.05490	71.3
69.03416	8.3
69.07056	28.4
71.01336	2.5
71.04967	2.8
73.02885	3.2
79.05482	63.8
81.03409	19.8
81.07042	100.0
83.04977	16.6
83.08608	26.3
85.02895	8.0
85.06530	2.8
91.05465	67.9
93.07024	73.2
95.04955	19.0
95.08594	26.9
97.02863	8.8
97.06502	15.9
97.10141	3.5
99.00800	29.3
99.04462	2.0
103.05446	2.2
105.07017	56.8
107.04932	17.1
107.08575	43.3
109.02864	14.0
109.06520	18.4
109.10137	16.0
111.04450	4.1
111.08079	8.3
115.03942	2.9
117.07001	25.6
119.08545	36.8
121.06496	18.4
121.10120	17.6
123.08054	3.8
123.11753	2.4
127.03909	8.7
128.06209	2.1
129.06976	4.1
131.08543	20.9
133.06551	3.4
133.10109	69.0
135.07973	4.4
135.11673	17.1
137.05962	4.7
137.09598	4.2
139.07533	5.0
143.08563	9.8
145.10107	16.6
147.08064	3.1
147.11732	7.3
149.09570	4.4
149.13246	11.1
151.11176	20.5
155.08511	2.6
157.10115	3.2
159.11687	9.2
161.09613	29.2
163.11183	9.2
171.07951	6.9
173.13324	2.6
175.11104	1.8
179.10684	12.9
184.07327	3.9
189.09131	11.0
195.13797	3.9
220.50029	2.2
224.49768	1.9
225.11218	13.4
243.12262	2.6
255.15944	8.6
257.18988	2.8
269.17490	25.5
274.91843	1.9
275.20105	16.9
281.13928	4.4
283.15472	3.4
299.14856	74.3
349.23743	11.2
457.92139	2.1
479.26321	13.7
493.27902	95.1
533.30701	2.3
573.34235	23.0
591.35132	13.9
767.16083	2.2
769.89844	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	788.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	15.9
55.05507	31.7
57.03422	17.5
59.04985	2.5
59.59664	2.4
60.22342	2.4
61.02916	6.1
67.05497	69.3
68.21431	2.0
69.03416	11.8
69.07059	27.4
70.76622	2.3
71.04979	4.3
71.39884	1.9
73.02907	3.1
79.05473	56.2
81.03408	61.2
81.07045	64.6
82.07332	3.0
83.04965	13.1
83.08600	20.8
85.02913	4.5
91.05465	68.4
93.07023	51.4
95.04948	23.7
95.08581	31.8
97.02902	3.3
97.06515	13.8
97.10172	5.5
105.07023	70.0
106.07349	3.2
107.04932	12.3
107.08589	34.1
109.06516	4.8
109.10119	16.4
117.06992	24.0
119.08569	41.9
121.06476	3.6
121.10108	15.0
123.08051	4.8
123.11670	2.8
125.09641	4.2
129.06978	13.8
131.08566	32.2
133.06425	2.9
133.10097	40.0
135.11650	4.9
137.09628	3.3
141.06979	4.3
143.08517	10.6
145.10146	28.3
147.11681	20.1
149.09572	9.6
155.08557	4.4
157.10101	12.3
159.11615	9.7
161.13155	3.6
163.11105	6.0
169.10141	5.0
171.11662	5.2
173.13196	3.5
175.11259	5.5
176.49049	2.3
177.12755	3.2
179.14363	3.6
183.11694	5.9
184.07338	4.8
185.13280	4.1
193.12186	12.4
195.11752	3.2
197.13168	2.6
199.14789	3.9
209.13092	3.1
253.14444	3.0
259.20505	3.0
267.15851	35.0
275.19986	22.7
349.23627	19.0
406.10715	2.6
514.35297	3.6
541.35223	100.0
607.43695	5.6
608.43469	4.1
625.44159	9.5
626.44482	12.8
636.64227	2.6
640.72571	2.4
668.70178	2.9
789.40021	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	788.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	24.1
55.05504	45.3
57.03436	24.0
59.04962	3.1
61.02907	11.6
67.05495	76.2
69.03419	12.7
69.07057	32.5
71.04970	9.5
79.05476	75.1
81.03396	65.0
81.07040	100.0
83.01321	2.8
83.04973	34.7
83.08603	31.6
85.02894	26.4
85.06519	4.3
89.05178	2.1
91.03918	2.5
91.05467	62.8
93.07021	66.2
95.04951	44.4
95.08575	30.1
97.02860	8.9
97.06512	11.3
97.10179	23.4
105.07014	54.6
107.04959	32.9
107.08578	43.4
109.02888	4.9
109.06535	22.1
109.10155	21.0
111.04427	13.6
111.07397	2.2
111.08048	20.5
113.05962	2.5
117.06999	26.3
119.08576	47.7
121.06473	13.9
121.10136	28.6
123.08073	20.0
123.11682	3.0
125.09599	15.6
128.06187	4.1
129.07001	23.0
131.08549	27.1
133.06459	9.8
133.10101	30.9
135.08031	19.5
135.11708	16.5
137.09601	5.6
143.08539	11.3
145.06448	4.6
145.10083	25.0
147.08073	17.4
147.11667	13.2
149.05945	2.3
149.09578	11.7
151.11151	2.7
153.09093	2.6
153.12717	3.7
155.08582	2.8
157.10118	18.6
159.08029	5.3
161.09572	19.6
163.07481	3.8
163.11142	20.0
164.75128	2.3
169.10069	3.3
173.09627	11.4
173.13266	3.2
175.11148	14.1
177.12810	2.7
179.10626	3.4
181.12206	5.0
184.90700	2.4
189.11214	11.6
191.10765	3.2
193.12213	38.0
198.73410	2.3
211.13264	28.2
227.12762	13.4
249.14937	3.2
267.15887	4.1
271.17078	2.3
273.18488	17.5
283.15332	29.1
285.16855	18.9
289.17966	12.8
291.19479	15.1
299.14777	4.6
301.16348	3.7
363.21460	3.3
365.23126	9.3
381.22662	43.1
555.33075	18.3
573.33966	36.8
591.35138	96.0
640.68878	3.0
771.93994	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	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01657	1.7
55.01870	27.2
55.05264	2.9
55.05508	55.9
57.03429	27.7
57.07065	3.9
59.04985	4.0
61.02908	11.8
65.03932	2.3
67.05135	3.6
67.05496	100.0
68.05834	3.1
69.03426	14.0
69.07060	56.5
71.01299	2.2
71.04978	10.7
73.02905	2.8
79.05479	82.7
81.03403	29.9
81.07043	85.5
82.04535	2.0
83.01333	9.2
83.04977	24.1
83.08603	27.1
85.02879	10.2
86.09684	2.8
89.02772	2.0
91.04879	2.4
91.05463	71.9
93.07026	84.9
95.04955	31.9
95.08095	2.6
95.08603	45.4
97.02885	16.4
97.06513	19.9
97.10162	10.7
99.04426	4.0
105.07014	56.2
107.04942	24.6
107.08577	46.1
109.02851	2.7
109.06512	12.2
109.10148	25.2
111.08045	8.2
117.06990	25.4
119.08563	41.9
121.06494	12.0
121.10139	22.0
123.08089	16.3
123.11682	1.8
123.94588	1.7
124.99890	2.2
125.05920	2.5
125.09653	6.6
127.03905	2.2
129.05354	2.2
129.06947	12.9
130.07768	3.0
131.08521	22.9
133.06467	2.5
133.10107	31.4
135.08035	10.2
135.11658	21.7
137.09592	11.5
141.06961	2.3
143.08502	2.8
145.06473	2.7
145.10110	28.6
147.08054	3.2
147.11691	10.4
149.09605	17.8
151.11159	2.8
153.08969	1.8
155.08467	3.3
157.08826	2.2
157.10139	9.5
159.11676	8.4
161.09628	3.8
161.13235	7.2
163.11157	32.4
165.09084	2.2
169.10181	3.0
171.11542	2.2
173.04492	1.9
173.09554	3.0
173.13208	4.0
175.11176	3.6
179.14246	2.1
181.12248	3.1
183.11716	2.3
184.07307	10.8
189.11151	3.0
189.12733	2.1
193.05006	2.3
209.11670	7.1
223.13292	10.2
227.12761	9.9
227.95552	2.0
229.14354	3.6
247.20715	2.3
253.14462	2.2
257.18970	7.7
273.18408	1.9
275.19989	24.9
281.40848	2.0
283.15356	51.5
291.19559	16.3
293.20966	2.5
294.31754	1.8
299.14951	2.7
301.16513	2.7
349.23685	32.7
379.20999	4.1
437.25299	24.0
451.26898	2.0
461.28659	10.8
497.86725	1.8
512.74493	1.8
525.67151	2.0
557.34766	45.3
559.36035	2.2
573.34070	4.2
575.35437	8.1
591.34979	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	788.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	20.1
55.05232	2.6
55.05505	57.8
57.03433	29.5
57.07050	2.0
59.04978	3.3
59.06565	2.0
60.35297	2.2
61.02918	4.9
65.03931	2.8
67.05495	90.0
69.03414	12.2
69.07055	40.9
70.94433	2.3
71.04962	5.6
79.05476	81.2
81.03399	20.0
81.07040	100.0
83.04953	15.0
83.08602	36.2
85.02892	10.5
85.06525	5.7
91.05462	89.0
93.07021	90.7
95.04966	23.0
95.08595	48.4
97.02853	11.3
97.06509	26.0
97.10152	16.5
99.00787	29.8
99.04388	3.1
105.07009	69.2
107.04960	24.8
107.08576	45.5
109.02864	23.1
109.06474	15.9
109.10138	24.1
111.04456	4.2
111.08041	11.3
115.03899	4.0
117.06994	25.5
119.04902	3.2
119.08559	43.3
121.06462	17.2
121.10137	20.2
123.04453	3.6
123.08019	4.3
123.11691	9.6
125.09611	4.6
127.03909	9.0
127.86985	2.1
128.06279	2.9
128.45038	2.3
129.07013	3.5
131.08557	29.3
133.06427	9.0
133.09180	3.4
133.10098	80.7
135.08055	5.0
135.11661	21.3
136.26096	2.6
137.05994	2.6
137.09572	4.8
139.07509	3.4
141.06993	3.1
143.08514	11.0
145.06406	3.3
145.10095	22.8
147.11649	15.1
149.09583	13.1
149.13255	6.2
151.11169	15.3
157.10126	3.1
159.11687	13.8
161.09616	34.2
163.11127	13.5
171.08025	13.2
177.12646	3.0
179.10597	12.2
185.13167	3.4
189.09065	11.7
225.11206	11.1
227.12723	4.8
229.19533	2.6
239.17963	3.2
240.34998	2.9
255.15842	9.5
255.80963	2.6
257.18893	6.0
269.17557	18.4
270.89111	2.9
275.20035	25.2
281.13617	5.2
285.25220	2.5
299.11691	3.9
299.14841	86.6
333.82361	2.5
349.23779	26.8
440.54999	2.8
463.26523	2.4
479.26019	23.0
493.27905	73.4
573.34094	45.8
591.34717	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	19.6
55.05506	57.6
56.05821	2.0
57.03421	32.3
57.70842	2.0
59.04973	2.9
59.59040	1.9
61.02903	10.2
62.10781	2.1
65.94019	2.3
67.05491	72.5
69.03421	12.1
69.07050	36.5
69.75580	2.1
71.04987	12.9
73.76939	2.4
77.21606	1.9
79.05475	81.2
80.81341	2.4
81.03407	82.6
81.07040	100.0
83.04971	30.7
83.08598	41.0
85.02889	35.5
85.06544	5.1
91.05462	73.6
92.08602	2.5
93.07027	69.5
95.04942	46.5
95.08604	32.1
97.02869	12.8
97.06517	18.6
97.10173	19.6
99.00804	3.5
99.04420	3.9
99.08070	2.9
105.07024	54.5
107.04943	33.0
107.08587	42.9
109.02874	4.8
109.06507	26.2
109.10134	18.5
110.06901	2.5
111.04459	10.2
111.08074	17.6
113.05927	2.8
117.06992	21.4
119.08566	41.8
119.16570	2.3
121.06499	5.1
121.10137	24.6
122.83284	2.4
123.08043	10.2
124.07569	2.3
125.09631	12.1
128.06259	2.5
129.06966	24.8
131.08546	30.3
133.06488	5.9
133.10103	39.1
135.08061	18.4
135.11656	11.9
136.57480	1.9
137.02296	3.0
137.09631	5.8
142.07765	4.6
143.08545	10.7
145.06470	4.7
145.10110	17.0
147.08023	12.8
147.11697	18.8
149.09601	13.7
151.11205	3.2
153.12737	3.9
155.08717	3.3
157.10088	21.5
159.08044	10.1
159.11691	4.6
161.08415	2.1
161.09511	16.4
163.07567	9.8
163.11169	18.6
165.09117	2.2
171.11714	4.0
173.09663	10.2
175.11165	16.1
193.10521	3.3
193.12236	50.1
193.87419	2.9
211.13266	41.3
227.12682	8.4
243.17464	3.0
261.18579	3.5
265.14478	2.3
267.15915	15.0
273.18494	8.4
283.15366	13.2
285.16931	35.8
289.17953	10.8
291.19611	10.7
295.07657	3.1
299.15018	9.9
310.05014	2.9
329.21408	3.2
360.23099	2.6
365.23056	3.2
366.69067	2.6
381.22632	38.4
411.20227	2.3
555.33282	20.0
573.34180	41.9
591.35175	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	17.0
55.05504	30.7
55.31154	0.7
56.05825	0.9
57.03432	15.6
57.07058	3.8
59.04981	1.8
61.02896	1.8
65.03909	3.7
65.52698	0.8
67.05492	86.6
68.05829	3.5
69.03408	3.8
69.07054	35.1
71.04972	5.2
71.07346	1.0
72.30902	0.9
79.05475	60.0
80.05815	1.5
81.03395	12.9
81.07040	68.4
83.04970	8.1
83.08591	9.7
84.30057	0.9
85.02892	2.2
85.06523	3.9
87.04446	1.1
88.48578	0.9
91.05461	82.3
93.07022	62.6
94.07344	1.7
95.01294	7.2
95.04946	15.7
95.08585	41.5
96.08910	1.4
97.02853	1.7
97.06509	15.8
97.10126	3.4
103.05436	1.6
104.06195	1.2
105.07014	100.0
106.07303	1.2
107.04932	16.9
107.08576	34.0
109.06490	6.2
109.10129	25.7
110.10439	2.3
111.04420	1.4
111.08070	6.0
115.05453	1.3
117.07009	22.7
119.07707	2.1
119.08560	55.8
121.06477	4.5
121.10130	15.5
123.04327	1.2
123.08012	4.2
123.11699	2.0
125.09669	1.8
128.06183	2.0
129.06972	9.1
131.04935	1.2
131.08540	32.6
133.06451	1.7
133.10114	44.6
135.08026	3.8
135.11687	10.7
137.09586	1.5
141.06985	2.3
142.07872	1.0
143.08565	9.0
145.06401	2.1
145.10097	19.2
147.08005	1.2
147.11676	19.2
149.09618	5.3
149.13239	4.8
155.08534	3.5
157.10068	7.0
159.07945	1.3
159.11679	14.9
161.13219	11.1
163.11115	3.7
163.14812	1.1
165.09064	1.4
169.10124	2.1
171.10300	1.0
171.11638	6.5
173.11742	2.8
173.13216	6.8
174.12019	1.3
175.14717	2.2
177.12730	4.0
179.14247	6.4
183.11598	1.4
185.13229	3.7
187.11125	4.0
187.14760	1.2
195.11795	1.0
197.13327	1.3
199.14821	1.7
205.12296	0.9
223.13101	1.4
224.13510	1.2
227.12599	1.0
229.14301	9.9
230.14630	1.6
241.19466	5.5
243.21252	1.5
257.18958	3.6
259.20486	15.3
261.22073	3.4
275.19995	33.7
279.15900	1.3
293.20987	1.8
297.16782	3.4
315.23108	4.4
333.24216	25.1
335.25784	10.6
336.26123	6.4
349.23737	17.5
489.35706	4.0
490.35934	4.9
557.38519	1.4
558.38306	1.9
561.37158	2.2
607.43530	41.6
625.44238	6.1
772.11591	1.1
790.35626	1.2
803.82983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94461	0.9
55.01633	1.0
55.01871	15.4
55.05278	1.3
55.05510	28.8
56.19869	0.8
57.03432	13.6
57.07067	4.2
59.04991	1.0
61.02904	1.8
65.03924	1.7
67.05495	76.3
68.05829	1.4
69.03416	2.2
69.07056	35.4
71.04967	4.7
79.05007	1.3
79.05476	62.2
81.03410	12.7
81.07043	74.6
82.07379	1.4
83.04963	7.2
83.08606	11.2
85.02879	3.9
85.06534	1.9
85.09544	0.8
91.05463	82.7
92.05801	1.9
93.07024	64.5
94.07368	1.5
95.01290	8.4
95.04955	16.4
95.08589	46.3
97.02900	1.4
97.06514	15.7
97.10142	1.8
99.08055	2.2
103.05446	4.2
105.04523	2.0
105.07018	100.0
106.07343	1.0
107.04943	20.7
107.08585	25.9
109.06504	5.8
109.10145	22.9
111.08049	2.3
115.05450	1.5
117.07005	25.9
119.08566	52.3
121.06462	5.6
121.10104	17.7
123.04368	1.7
123.08029	6.4
123.11705	1.4
128.06218	1.5
129.07010	10.8
131.08548	35.6
133.10106	41.0
135.08037	2.2
135.11671	11.8
137.09589	4.1
141.06908	1.9
142.07764	1.3
143.08545	9.6
145.06451	2.2
145.10100	21.8
147.08043	1.7
147.11670	21.8
149.09637	4.0
149.13263	7.4
155.08566	1.5
155.39247	1.1
157.10094	8.7
159.11656	14.5
161.09615	1.3
161.13234	12.3
163.11177	4.7
169.10120	2.2
171.11679	6.7
173.11736	2.0
173.13228	5.5
175.14786	3.6
177.12714	2.0
179.14282	8.2
183.11597	2.3
185.13203	5.3
187.11095	2.3
187.14778	1.4
197.13214	1.6
199.14818	2.4
215.21347	1.1
224.13602	1.2
229.14290	6.5
230.14697	1.7
241.19432	5.7
257.18906	3.9
259.20630	9.9
273.18494	1.1
275.19998	23.9
293.21082	1.8
297.16788	1.8
315.23166	3.8
333.24216	20.1
334.24576	1.3
335.25723	8.4
336.26166	2.2
340.11810	1.1
349.23624	17.7
489.35416	1.7
490.35950	4.7
534.41931	1.2
557.37921	1.9
607.43469	36.0
625.44482	5.5
758.70190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05504	22.7
56.03685	1.2
57.03421	8.6
57.07071	1.9
61.02902	2.8
65.03906	8.7
67.05493	40.3
69.03420	10.6
69.07067	14.8
71.04973	2.7
73.02877	2.3
74.41744	1.3
75.74900	1.3
79.05475	34.9
81.03397	23.5
81.07036	40.3
82.16375	1.3
83.04957	8.8
83.08594	6.0
85.02863	7.3
86.09709	2.1
91.05463	37.1
93.07021	33.4
95.04938	10.0
95.08585	26.4
95.94287	1.3
97.02867	7.6
97.06502	7.1
98.40195	1.4
99.04421	2.0
99.08018	1.5
103.05441	1.6
105.07011	31.5
107.04941	3.3
107.08592	19.2
109.02837	3.0
109.06454	5.5
109.10149	10.7
115.05416	1.9
117.07001	16.5
119.08543	24.3
121.02798	1.8
121.06490	1.8
121.10125	8.2
123.08025	2.1
123.11684	3.0
127.04031	1.4
128.06181	1.9
129.06984	11.4
131.04898	1.4
131.08559	19.1
133.10123	17.5
135.08054	2.8
135.11609	3.3
141.06912	2.7
143.08530	15.5
145.06425	2.9
145.10147	14.5
146.76724	1.6
147.08060	1.6
147.11664	10.9
149.02332	100.0
149.03436	9.4
149.13280	3.0
150.02670	23.8
155.08514	10.0
157.10091	12.5
159.11707	13.7
161.09605	2.3
161.13222	2.0
167.08530	3.2
169.10110	10.4
171.11610	10.1
173.04469	6.0
173.09439	1.8
173.13226	7.3
177.12694	2.5
179.08533	2.0
181.10114	2.9
183.11652	6.2
184.07274	1.8
185.13239	8.0
193.04944	64.3
193.10089	1.6
194.05278	21.2
195.11687	6.6
197.13283	3.3
199.14787	2.5
201.12717	1.8
207.11450	2.2
209.13185	6.5
221.13354	1.9
225.16328	2.0
241.19528	2.6
246.98462	1.6
247.14871	1.5
275.20135	2.5
333.24100	1.6
349.23984	1.8
385.09439	1.6
386.09384	2.6
474.19653	1.6
507.95306	1.5
513.35553	5.4
515.12567	1.8
527.37183	10.9
607.43384	14.9
625.44391	16.8
653.40289	2.2
671.41522	2.4
689.42645	3.3
770.17548	20.0
771.17462	6.3
787.42407	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	787.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	17.0
55.05504	30.7
55.31154	0.7
56.05825	0.9
57.03432	15.6
57.07058	3.8
59.04981	1.8
61.02896	1.8
65.03909	3.7
65.52698	0.8
67.05492	86.6
68.05829	3.5
69.03408	3.8
69.07054	35.1
71.04972	5.2
71.07346	1.0
72.30902	0.9
79.05475	60.0
80.05815	1.5
81.03395	12.9
81.07040	68.4
83.04970	8.1
83.08591	9.7
84.30057	0.9
85.02892	2.2
85.06523	3.9
87.04446	1.1
88.48578	0.9
91.05461	82.3
93.07022	62.6
94.07344	1.7
95.01294	7.2
95.04946	15.7
95.08585	41.5
96.08910	1.4
97.02853	1.7
97.06509	15.8
97.10126	3.4
103.05436	1.6
104.06195	1.2
105.07014	100.0
106.07303	1.2
107.04932	16.9
107.08576	34.0
109.06490	6.2
109.10129	25.7
110.10439	2.3
111.04420	1.4
111.08070	6.0
115.05453	1.3
117.07009	22.7
119.07707	2.1
119.08560	55.8
121.06477	4.5
121.10130	15.5
123.04327	1.2
123.08012	4.2
123.11699	2.0
125.09669	1.8
128.06183	2.0
129.06972	9.1
131.04935	1.2
131.08540	32.6
133.06451	1.7
133.10114	44.6
135.08026	3.8
135.11687	10.7
137.09586	1.5
141.06985	2.3
142.07872	1.0
143.08565	9.0
145.06401	2.1
145.10097	19.2
147.08005	1.2
147.11676	19.2
149.09618	5.3
149.13239	4.8
155.08534	3.5
157.10068	7.0
159.07945	1.3
159.11679	14.9
161.13219	11.1
163.11115	3.7
163.14812	1.1
165.09064	1.4
169.10124	2.1
171.10300	1.0
171.11638	6.5
173.11742	2.8
173.13216	6.8
174.12019	1.3
175.14717	2.2
177.12730	4.0
179.14247	6.4
183.11598	1.4
185.13229	3.7
187.11125	4.0
187.14760	1.2
195.11795	1.0
197.13327	1.3
199.14821	1.7
205.12296	0.9
223.13101	1.4
224.13510	1.2
227.12599	1.0
229.14301	9.9
230.14630	1.6
241.19466	5.5
243.21252	1.5
257.18958	3.6
259.20486	15.3
261.22073	3.4
275.19995	33.7
279.15900	1.3
293.20987	1.8
297.16782	3.4
315.23108	4.4
333.24216	25.1
335.25784	10.6
336.26123	6.4
349.23737	17.5
489.35706	4.0
490.35934	4.9
557.38519	1.4
558.38306	1.9
561.37158	2.2
607.43530	41.6
625.44238	6.1
772.11591	1.1
790.35626	1.2
803.82983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81846	0.4
55.01860	0.8
55.05494	2.1
57.03218	0.3
57.03432	4.9
57.07061	4.6
58.06590	34.8
59.07370	11.6
59.42321	0.3
60.08152	11.8
67.05489	3.9
69.07040	2.2
69.90174	0.4
71.07360	0.9
71.08614	3.0
73.02876	0.4
75.04459	3.1
78.89474	0.3
79.05474	2.4
81.07034	3.4
83.04964	0.5
83.08596	1.8
84.08126	1.4
85.02882	2.4
85.10166	2.0
85.26009	0.3
86.09213	0.6
86.09690	10.4
87.04449	3.9
91.05450	0.9
93.07011	1.5
95.04942	0.5
95.08591	2.7
97.06541	0.5
97.10159	0.6
100.11217	0.4
102.05489	0.6
103.03895	0.4
105.05466	0.6
105.07016	0.7
109.10136	2.3
113.05958	0.8
119.08567	0.6
124.99988	6.0
130.08611	0.7
131.07019	2.1
144.10181	15.4
162.11192	5.6
184.07298	18.5
200.12759	0.6
218.13846	0.8
236.14882	100.0
237.15242	1.6
313.27182	0.6
372.23471	0.5
390.24896	0.6
412.26804	0.6
412.37543	0.8
430.27850	0.8
456.36807	9.1
474.37790	16.4
494.34433	2.1
512.35669	2.9
530.36926	0.5
628.47742	10.1
668.50787	14.3
732.57690	5.3
750.58630	23.5
751.57831	0.7
768.59723	18.6
786.61542	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.4
55.05507	36.0
57.03427	14.1
57.07059	6.4
57.37881	1.1
61.02900	1.4
65.03927	2.4
67.05495	73.2
69.03421	14.4
69.07056	36.0
71.04982	7.4
71.08601	1.5
73.02911	2.5
79.05479	72.7
81.03403	32.6
81.07040	76.6
83.04968	9.7
83.08599	13.9
85.02888	3.6
85.06559	2.7
86.09708	2.9
91.05467	93.1
93.07027	68.9
95.01332	3.8
95.04957	16.2
95.08589	48.6
97.02884	8.9
97.06519	18.7
99.04460	1.5
105.04539	1.9
105.07018	100.0
107.04943	17.9
107.08570	30.1
108.18608	1.5
109.02859	2.7
109.06514	7.3
109.10146	18.0
111.04368	1.6
115.05444	6.1
117.06197	2.9
117.06995	34.4
119.08569	62.3
120.24229	1.7
121.06498	3.3
121.10114	17.5
123.08032	2.7
123.11670	5.3
128.06197	3.3
129.05499	1.7
129.06996	17.4
130.07782	1.8
131.08548	38.6
133.06491	2.8
133.10114	47.9
135.08031	2.1
135.11705	11.3
138.68758	1.6
141.06908	2.3
142.07773	2.1
143.08530	14.1
145.06464	3.5
145.10120	27.4
147.08066	2.1
147.11684	25.6
149.09673	6.8
149.13278	7.3
149.85080	1.5
151.11176	1.6
155.08519	13.2
157.10080	14.3
159.07994	2.0
159.11664	17.7
161.09538	2.4
161.13231	14.1
163.11136	1.7
163.14932	1.7
169.10121	10.0
171.11665	10.9
173.04453	3.7
173.13257	9.1
175.14777	3.0
177.12729	2.8
179.14299	3.9
181.10114	3.4
183.11699	10.4
184.07317	2.6
185.13237	13.2
187.11087	2.2
187.14882	2.9
192.88011	1.8
193.10197	2.5
195.11862	2.0
197.13231	6.1
199.41940	1.7
201.12682	2.1
207.11722	2.6
209.13275	3.1
241.19496	9.6
257.18893	3.2
259.20508	14.4
275.20029	29.9
277.21609	2.2
293.21078	2.1
315.23080	6.2
333.24332	26.7
349.23804	20.9
489.11713	1.8
506.88879	1.9
527.37396	16.2
533.39362	2.1
551.40900	1.8
607.43500	49.2
608.43689	2.8
625.44684	17.2
635.38654	2.2
671.41577	5.8
689.42371	7.6
689.91693	1.6
717.49304	1.5
769.48474	2.2
787.44580	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	786.572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05507	34.3
57.03428	31.0
57.07068	86.3
57.71824	1.9
58.52194	2.1
61.02895	4.1
62.48744	2.3
65.03938	2.0
67.05494	71.7
69.03412	3.4
69.07056	32.7
69.21091	2.1
71.04970	2.7
71.08614	46.1
79.05477	69.0
81.07042	64.3
83.08606	26.5
85.10166	28.2
89.05994	3.0
91.05462	84.7
93.07022	77.5
95.04940	12.1
95.08585	67.0
97.06522	3.0
97.10135	15.2
105.07018	100.0
106.70966	2.0
107.08575	41.1
109.10123	27.0
117.07001	30.3
119.08563	81.2
121.10141	27.0
123.08076	3.2
123.11669	9.8
129.06972	18.9
131.08556	31.9
133.10106	62.7
135.11639	22.6
143.08548	12.2
145.10114	25.9
147.11664	57.7
149.13237	9.7
157.10107	12.7
159.11639	23.8
161.13252	33.7
167.47617	2.1
171.11697	15.2
173.13263	12.6
173.23158	2.6
175.14819	11.8
185.13223	14.4
199.14813	4.8
231.21059	3.0
239.23701	4.0
241.19431	28.8
259.20529	92.4
313.27313	91.9
315.23135	10.2
333.24219	54.5
398.23105	2.3
571.46881	15.4
589.48206	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	786.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.2
55.05311	3.1
55.05513	53.1
57.03434	33.0
57.27654	3.6
58.83759	3.1
61.02921	7.6
66.68486	3.5
66.94873	4.6
67.05495	100.0
69.03407	18.4
69.07051	32.2
69.65204	2.9
70.30203	3.0
71.04971	6.3
79.05483	76.7
81.03403	26.5
81.07046	96.0
83.04961	18.2
83.08604	20.8
85.02887	5.2
88.16791	3.8
91.05462	80.7
93.07032	70.1
95.04945	42.5
95.08590	40.3
97.02881	6.1
97.06505	19.4
97.10142	18.9
105.07011	46.0
107.04948	19.8
107.08581	43.7
109.06495	13.7
109.10162	21.2
111.08063	5.9
117.06963	25.7
119.08548	37.6
121.06482	16.4
121.10102	18.4
125.09609	18.2
129.06982	8.0
131.08562	28.4
133.10068	28.1
134.68120	4.0
135.08018	6.4
135.11703	7.3
143.08525	6.5
145.10098	19.2
147.11700	7.5
149.02295	12.9
149.09605	5.1
149.13222	6.1
157.10123	7.5
159.11682	20.6
163.11330	3.8
177.12675	6.0
193.04956	6.9
195.13762	5.4
223.13272	47.2
227.12782	5.4
255.15895	7.9
269.17514	9.0
275.20111	8.1
297.16882	34.5
345.69681	3.9
349.23636	7.6
423.27206	5.2
473.28806	4.3
477.28564	15.9
490.13602	4.5
491.30066	46.4
571.36047	7.1
573.65540	4.4
589.37286	5.5
787.41577	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	786.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05501	21.9
57.03436	19.1
57.07072	2.5
58.86426	2.1
59.05013	3.9
61.02909	3.3
67.05141	3.7
67.05498	100.0
67.05853	4.1
69.03418	3.7
69.07057	15.4
69.29299	2.1
71.04984	3.3
72.45815	1.8
79.05483	44.9
81.03400	15.6
81.07046	54.6
81.07483	3.9
82.31982	1.9
83.04974	4.4
83.08622	11.3
84.68835	1.8
85.02913	9.2
85.06547	2.2
91.05464	27.0
92.08594	4.9
93.07019	53.9
95.04958	10.9
95.08591	43.1
97.06540	2.4
105.07001	14.2
107.04948	4.6
107.08596	23.5
109.06513	9.2
109.09476	3.7
109.10157	55.5
111.08088	1.9
117.07020	10.1
119.08590	13.8
121.06482	4.7
121.10142	17.0
125.09618	2.4
127.29831	2.1
131.08551	13.8
133.10117	8.8
135.07869	2.2
135.11644	9.3
141.06989	3.3
145.10129	10.4
147.11678	2.6
149.13249	4.6
159.11678	7.8
161.13190	2.8
163.14810	2.5
168.79797	2.0
173.11734	11.0
173.13141	3.9
187.11363	2.3
223.13301	10.2
227.12538	2.2
229.14333	42.6
261.22046	7.5
297.16943	11.4
335.25757	48.1
489.35770	19.1
507.36884	2.5
539.37292	2.7
557.38245	13.5
568.86029	2.2
608.66565	2.2
649.71521	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	786.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81484	1.3
55.01863	13.5
55.05505	49.6
57.03436	18.8
61.02886	2.8
64.85374	1.1
65.03917	1.9
67.05499	70.8
69.03407	5.9
69.06770	1.2
69.07063	19.8
71.04974	2.6
72.48622	1.1
73.06539	1.5
79.05477	100.0
81.03411	18.0
81.07040	97.2
83.04967	25.6
83.08607	21.2
85.02902	5.4
85.06540	2.3
91.05464	80.5
92.09222	1.4
93.07027	84.1
95.04956	36.7
95.08588	36.4
97.02856	2.5
97.06516	9.5
97.10138	24.5
99.04423	1.7
103.05379	1.7
105.04517	1.4
105.07017	60.2
107.04963	20.2
107.08578	33.3
109.02903	2.0
109.06506	20.6
109.10152	13.3
111.04435	12.5
111.08062	9.0
115.05421	2.6
117.07008	21.3
119.08570	44.8
121.06496	15.2
121.10149	13.1
123.08047	18.7
125.09634	10.5
128.06194	3.2
129.07005	24.8
131.08546	16.6
133.06470	5.3
133.10114	22.5
135.08011	6.3
135.11708	10.6
137.09581	5.4
143.08536	15.5
145.06477	1.9
145.10130	26.0
147.08052	10.0
147.11676	32.9
149.09579	7.2
149.13234	2.6
151.11238	2.5
153.09108	1.8
153.12715	2.6
155.08504	5.6
157.10121	9.1
159.08005	2.6
159.11678	6.9
161.09618	17.1
161.13200	6.0
163.11171	16.9
165.09135	2.9
171.11674	20.8
173.09642	5.3
175.11174	5.0
175.14861	1.2
181.12212	3.0
187.11134	1.9
187.14824	1.2
189.11168	7.1
189.12735	6.3
191.10677	1.4
207.13823	13.4
223.13235	1.6
227.12804	10.8
245.19029	4.8
249.14911	1.5
255.17441	2.6
273.18454	28.0
281.17419	51.8
283.15189	2.0
291.16339	2.1
291.19495	30.4
298.67123	1.3
299.14813	2.1
309.20682	2.0
347.22272	11.4
365.23206	18.9
376.65829	1.5
383.24286	5.0
404.67990	1.4
409.12469	1.4
445.29901	1.5
451.26996	4.9
475.30447	1.4
525.35345	1.7
553.35443	17.9
571.36230	76.0
589.37579	25.0
636.49384	1.7
674.56976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.4
55.05506	36.7
57.03434	11.0
57.07067	2.1
58.97199	1.5
61.02896	1.3
62.23493	1.3
62.42571	1.3
64.37205	1.3
65.03920	2.7
67.05495	100.0
69.03406	5.9
69.07054	40.9
71.04961	6.9
73.02898	2.3
73.06509	1.4
78.09518	1.2
79.05481	80.4
81.03394	13.1
81.07040	65.7
83.04967	16.8
83.08604	8.4
85.02903	2.6
85.06523	2.8
91.05463	77.9
93.07026	74.9
93.07630	2.0
94.67274	1.6
95.04950	26.5
95.08582	44.5
97.02877	2.0
97.06522	15.5
97.10127	6.7
103.05445	1.6
105.07015	64.6
107.04938	19.1
107.08573	20.8
109.06508	6.4
109.09464	2.3
109.10133	26.6
111.04442	2.1
111.08044	2.4
115.05419	1.8
116.06277	1.6
117.06996	19.4
119.08564	41.9
121.06499	6.9
121.10134	12.0
123.08044	6.2
125.09621	3.7
127.03847	1.7
128.06168	2.0
129.06982	16.0
131.08566	16.0
132.12831	1.5
133.10117	22.4
135.08025	3.4
135.11694	9.2
135.39714	1.7
137.09583	7.8
141.06955	3.2
142.07597	1.6
143.08501	11.1
145.10106	23.6
147.08055	2.9
147.11688	23.7
149.09615	17.8
151.11156	1.9
155.08557	2.8
157.10124	3.5
159.11662	9.4
161.09561	3.3
161.13217	10.1
163.11150	7.7
169.10019	2.2
171.11639	15.4
173.11783	2.1
173.13153	2.3
177.12750	2.3
179.14270	2.1
183.11697	1.8
184.07376	2.0
189.12686	3.5
205.76320	1.6
207.13724	12.0
223.13284	1.7
229.14326	2.5
257.18954	2.5
273.18359	2.1
275.19998	15.5
281.17355	23.5
291.19263	1.8
349.23636	15.5
435.27325	29.5
459.30594	1.9
478.51575	1.7
539.33929	1.9
555.36652	34.1
557.34686	2.0
571.35504	2.9
589.37231	7.6
609.01117	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	786.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.2
55.05502	54.7
55.10381	2.4
56.52085	2.4
57.03424	24.8
61.02927	6.8
61.07332	2.6
67.05493	99.0
69.03410	13.8
69.07059	42.5
71.04975	6.5
71.66898	2.8
79.05476	76.8
79.40627	2.8
81.03393	31.9
81.07038	100.0
83.04967	22.3
83.08595	22.7
85.02895	14.1
85.06531	3.8
91.05471	76.5
92.63979	2.9
93.07022	90.8
95.04948	37.4
95.08594	41.6
97.02882	11.7
97.06499	6.5
97.10147	14.5
103.05446	3.3
103.23517	2.8
105.07028	52.2
107.04941	17.4
107.08586	50.1
109.06498	14.5
109.10155	16.8
111.08067	4.5
115.48923	3.2
117.07008	21.5
119.08587	24.8
119.43909	2.9
121.06500	6.9
121.10139	16.7
123.08060	5.1
125.09618	12.6
129.06960	7.3
131.08519	32.9
133.10127	18.4
135.08064	12.8
135.11690	15.5
141.07002	4.6
143.08565	7.3
145.10117	13.9
147.11697	12.0
149.02364	14.6
149.09589	7.1
149.13167	4.7
155.08623	4.0
157.10139	3.5
159.11685	15.6
161.13309	3.9
163.11096	5.1
189.11279	3.3
193.04955	12.4
195.92976	3.4
197.69910	3.2
205.12305	4.2
223.13301	35.2
227.12808	3.7
269.17493	15.7
275.20038	13.2
279.15878	5.1
297.16928	36.7
349.23642	4.6
473.28922	6.7
477.28378	6.8
491.30042	57.9
571.36194	13.2
589.36389	5.6
620.32983	3.7
762.96252	3.4
787.42023	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	785.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85395	1.9
54.92007	1.9
55.01845	2.5
55.05495	12.1
57.03423	5.0
57.07061	4.2
58.46868	1.7
59.06507	1.8
61.02900	8.8
65.19217	2.4
67.05493	25.4
69.03400	3.0
69.07040	3.0
71.04964	2.7
71.08604	2.9
73.02876	3.7
79.05464	25.6
81.03394	9.9
81.07043	22.3
83.04945	3.0
83.08594	4.1
85.02879	5.5
91.03923	3.5
91.05465	25.0
93.07020	14.0
94.07367	2.6
95.04951	10.5
95.08569	13.3
97.02879	4.9
97.06510	2.8
105.07001	17.2
107.04913	3.7
107.08566	12.0
109.10163	3.3
117.06986	8.7
119.08541	12.6
121.10105	5.2
123.08005	2.3
129.07016	5.1
131.08568	11.5
133.06483	5.0
133.10101	2.9
143.08569	2.8
145.10057	4.1
147.08017	2.7
147.11740	2.5
159.11674	4.9
171.11665	2.6
188.71188	2.0
192.28094	2.5
193.04903	4.3
201.12682	2.7
231.49419	2.6
243.08334	3.7
313.27402	3.9
335.25748	2.9
336.26004	4.3
465.20599	9.0
547.20544	2.8
561.29877	11.1
785.44391	100.0
807.68134	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	786.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	27.3
55.05500	64.4
57.03419	33.2
59.04997	4.0
61.02916	6.9
67.05488	52.5
69.03416	3.6
69.07065	39.9
71.04971	14.9
79.05480	83.2
81.03403	35.5
81.07045	77.5
83.01338	18.6
83.04960	30.8
83.08601	41.6
85.02907	15.1
91.05457	60.5
93.07027	87.1
95.04956	28.3
95.08577	22.7
97.02869	13.4
97.06510	6.3
97.10158	19.0
99.00832	3.2
99.04408	4.8
103.05455	4.7
105.07005	35.0
107.04951	31.8
107.08567	38.6
109.02898	3.1
109.06506	19.1
109.10120	10.6
110.39024	3.5
111.04467	4.0
111.08083	5.8
115.05420	4.3
117.07031	27.6
119.08555	27.6
121.06503	14.1
121.10150	16.9
123.04404	5.8
123.08037	15.7
125.09623	13.2
129.06953	4.4
131.08556	19.3
133.10106	21.6
135.08061	22.5
135.11674	23.9
137.05908	3.5
137.09576	5.3
143.08565	5.8
145.06474	5.0
145.10072	30.0
147.08058	3.9
147.11679	5.4
149.09608	5.0
153.09099	3.3
153.12703	6.8
155.08517	3.6
159.08151	4.6
161.09569	5.2
163.07503	13.0
163.11163	46.9
171.11711	4.2
173.09685	4.8
191.10580	4.2
191.52811	3.3
193.12187	23.0
209.11732	4.9
227.12785	13.1
236.49309	3.2
249.94736	3.4
283.15347	88.1
289.17966	20.8
335.32294	3.2
363.21875	5.7
381.22672	66.1
571.32782	18.8
589.24982	5.5
589.33618	100.0
616.04156	3.3
793.76227	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	784.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81564	1.0
55.01855	1.1
55.05499	2.0
57.03419	10.5
57.07065	5.9
58.06588	42.7
59.07368	14.3
60.08146	17.2
62.76817	1.0
66.43019	1.0
67.05486	5.1
69.07049	1.7
71.08612	1.6
75.04461	4.8
79.05466	2.2
81.07045	4.9
84.08126	1.5
85.02911	2.1
85.10168	2.2
86.09690	22.0
87.04456	7.1
95.04951	1.4
95.08584	2.5
113.05991	1.9
124.99997	11.7
131.07007	2.7
144.10176	15.9
162.11201	6.2
184.07310	41.6
228.60486	1.2
236.14886	100.0
245.97676	1.2
246.04768	1.1
261.62943	1.3
313.27444	2.0
432.96024	1.3
456.36584	7.1
474.37952	15.8
510.34308	1.4
528.34802	2.9
576.75305	1.3
748.57275	9.9
766.58234	28.4
784.59619	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	784.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05490	1.1
55.95363	0.6
57.03430	7.6
57.07067	5.8
58.06592	38.4
59.04987	0.7
59.07367	12.2
60.08152	10.2
61.22116	0.6
67.05489	6.0
69.07045	1.4
71.08617	4.4
75.04459	3.5
79.05466	2.9
79.43629	0.7
81.07032	3.7
83.08611	0.8
83.86817	0.6
85.02921	2.3
85.10168	0.9
87.04440	5.0
91.05460	4.0
93.07020	2.8
95.08586	3.2
97.06518	0.6
97.10155	0.6
105.07019	1.3
107.08604	1.4
113.05875	0.9
117.06999	0.8
131.07072	0.7
131.08403	0.8
144.10199	17.6
155.53058	0.7
162.11253	5.7
170.81636	0.7
184.07207	1.2
218.13695	0.7
236.14893	100.0
237.15184	0.9
313.27490	1.4
387.67676	0.7
412.26721	1.0
430.28006	1.6
456.36746	7.1
474.37766	15.3
492.33078	1.4
510.33856	1.1
668.50946	11.8
730.55652	3.7
748.57123	17.4
766.45648	1.1
766.58160	22.0
767.57733	1.0
784.59009	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	784.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81458	0.4
55.01864	0.6
55.05497	1.9
56.23544	0.3
57.03172	0.5
57.03432	6.4
57.07069	6.3
58.06593	37.1
59.04964	0.4
59.07089	0.5
59.07375	12.5
60.08150	9.3
67.05495	5.1
69.07056	3.0
71.08611	2.9
75.04465	3.1
77.65093	0.4
79.05467	3.7
81.03395	0.4
81.07047	4.0
83.04966	0.5
83.08592	0.8
84.08155	0.9
85.02888	2.5
85.10156	0.9
85.87522	0.4
86.09658	0.8
87.04458	3.9
91.05436	2.0
92.08717	0.6
93.07026	2.0
93.29153	0.4
95.04946	0.9
95.08594	3.4
96.12619	0.4
97.10164	0.6
100.11207	0.6
102.05531	0.9
105.06995	2.0
107.08604	1.0
109.10125	1.6
113.05979	0.9
117.06999	0.6
119.08593	0.9
130.08638	0.5
131.07024	2.5
133.10104	0.6
136.45866	0.5
144.10179	14.0
159.11716	0.5
162.11243	5.3
184.07367	0.4
192.18735	0.5
218.13817	0.8
236.14899	100.0
237.15140	0.9
311.64786	0.5
313.27341	0.7
372.23804	1.0
390.25058	1.5
412.37927	0.9
430.27823	0.8
456.36780	9.0
474.18918	0.5
474.37811	14.3
492.33038	1.6
510.34106	1.8
628.47565	8.9
668.50409	5.6
730.56049	4.9
748.57117	20.1
766.45685	0.7
766.58179	15.5
767.57471	0.6
784.46033	0.8
784.59235	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	784.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.2
55.05507	54.0
55.41043	3.7
57.03429	20.2
61.02892	4.6
67.05489	69.7
69.03407	8.4
69.07050	30.9
73.97059	3.8
74.67057	4.2
75.36080	3.8
76.55988	5.8
79.05485	64.6
79.87249	4.6
81.03402	50.6
81.07039	79.4
83.04082	4.5
83.04968	24.5
83.08620	19.0
85.02892	34.6
85.54182	4.3
86.09708	8.1
91.05454	100.0
93.07023	49.9
95.04957	39.0
95.08592	25.7
97.02831	5.6
97.06522	11.0
97.10157	7.2
101.28440	4.7
105.07015	56.9
107.04944	10.6
107.08575	26.1
109.06499	6.2
109.10154	18.6
109.47864	4.7
117.06995	52.1
119.08556	45.2
121.10104	10.9
122.41094	4.3
125.09633	6.1
129.06973	31.4
130.86139	4.6
131.08546	65.3
133.06409	4.8
133.10110	26.3
135.08038	5.9
137.09572	4.8
141.07010	20.3
143.08560	8.8
145.10103	41.6
147.11610	16.2
149.09506	4.7
155.08545	18.6
157.10091	25.1
159.11679	8.9
169.10075	22.7
171.11618	10.4
175.11189	10.9
180.14494	4.9
183.11647	8.0
184.07271	22.0
185.13210	6.0
185.34300	4.7
193.12231	22.0
201.16429	7.2
211.13252	10.6
223.13330	7.4
267.21014	9.3
278.61261	5.3
285.16974	36.9
285.21863	33.5
291.19516	11.0
297.16824	6.8
359.25800	18.7
447.21997	8.0
474.40536	4.9
569.38129	11.2
587.37152	10.3
621.75903	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	784.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81366	2.2
55.01862	5.9
55.05495	14.6
57.03408	3.3
57.07069	22.7
58.06577	2.8
59.43341	2.4
59.59349	2.1
67.05489	21.7
68.05904	2.5
69.07048	25.0
71.04990	2.6
71.08623	19.3
71.62777	2.4
79.05479	20.8
81.03393	4.1
81.07043	37.0
83.04959	3.6
83.08597	6.4
85.10187	3.5
91.05460	33.4
92.09343	3.0
93.07027	22.2
95.01276	5.0
95.04951	5.2
95.08581	29.8
97.06509	11.0
102.35815	2.5
105.07006	48.7
107.04925	9.7
107.08585	5.2
108.45004	2.3
109.10124	3.8
117.06996	10.5
119.08570	29.8
129.75995	2.7
131.08530	14.4
133.10124	30.6
145.10115	11.5
147.11650	5.8
159.11621	3.4
163.11015	2.9
177.12804	2.8
179.14247	6.3
236.14856	4.7
275.20059	22.8
291.51096	3.0
313.27374	26.5
349.23645	14.6
587.46539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	19.1
55.05508	41.5
56.81726	3.1
57.03426	12.8
57.07079	3.6
60.94271	3.0
67.05493	68.2
68.79967	3.4
69.03420	6.0
69.07052	29.9
71.04977	6.8
71.08609	3.9
79.05482	100.0
81.03407	15.5
81.07040	75.9
83.04969	18.0
83.08619	5.6
85.02913	4.9
91.05462	69.7
92.09305	4.2
92.64252	4.2
93.06471	5.7
93.07020	80.0
95.04950	31.1
95.08600	45.6
97.02876	6.1
97.06498	12.0
97.10152	3.6
102.05666	2.8
105.07012	75.7
107.04934	17.7
107.08573	26.8
109.06508	6.9
109.10172	17.6
117.07004	20.0
119.08559	45.1
121.06466	3.7
121.10136	16.4
123.08063	4.7
129.06935	27.7
131.08540	20.2
133.10118	22.0
135.11684	7.3
141.06953	4.5
143.08557	12.4
145.10088	22.5
147.08014	6.6
147.11642	28.9
149.09589	13.1
155.08560	6.3
157.10112	3.4
159.11635	13.2
161.09615	4.2
161.13199	11.7
163.11134	5.5
171.11627	13.0
184.07286	3.6
187.11272	4.2
207.13745	12.6
251.06851	3.1
257.19006	4.6
275.20032	20.6
281.17459	22.8
290.70511	3.5
335.25928	5.1
349.23505	10.6
461.29117	4.8
475.30518	32.4
502.59836	3.7
508.60797	3.3
537.35638	5.2
555.36804	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05510	22.7
57.03424	19.0
57.07068	49.5
60.60845	1.8
67.05502	38.3
69.03403	4.2
69.07051	14.3
71.04971	3.1
71.08620	34.1
71.24062	1.9
73.02894	2.8
79.05482	29.5
81.03403	69.6
81.07039	50.8
83.04961	17.4
83.08591	30.1
85.02888	19.5
85.06506	2.8
85.10163	15.4
89.72754	2.0
91.05461	38.8
92.08681	8.5
93.07024	27.5
93.50534	2.5
95.04942	27.7
95.08585	36.1
97.02857	2.4
97.06525	2.9
97.10146	5.4
101.42846	2.4
105.07003	26.9
107.04930	11.1
107.08569	10.6
109.02869	3.6
109.06570	2.7
109.10149	18.2
111.04424	4.5
111.08060	8.7
117.07001	4.0
119.08574	24.5
121.10108	10.8
122.10355	2.4
123.11668	8.0
129.06984	12.6
131.08543	12.8
133.06512	2.4
133.10120	16.0
145.10065	8.9
147.08025	3.8
147.11655	15.6
149.09570	4.6
157.10109	21.7
163.11230	3.4
165.12816	3.0
175.11156	15.4
193.12231	45.0
211.13252	48.0
267.15909	20.7
285.16980	37.1
313.27307	62.8
450.97806	2.4
463.38315	2.7
505.39020	20.2
511.18533	2.7
523.39807	100.0
539.29053	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	783.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.03170	0.3
57.03430	4.6
61.02920	4.2
67.88998	0.2
69.03417	14.3
71.01340	0.3
71.04978	1.6
73.02900	2.9
74.59275	0.2
76.95515	0.1
81.03407	3.0
81.18761	0.2
85.02894	75.3
87.04453	1.4
91.03934	2.2
97.02877	31.5
98.98450	100.0
99.04441	5.4
101.02378	2.0
103.03909	0.9
109.02869	8.0
111.34299	0.2
115.03901	1.7
116.99493	4.7
120.53013	0.2
127.03899	39.5
145.04948	33.0
147.04381	0.3
161.61443	0.2
163.05995	12.6
195.00536	1.0
211.81833	0.2
225.01569	4.9
228.47279	0.2
259.08133	0.4
261.03659	33.4
279.04724	15.5
279.06989	0.3
279.07858	0.3
289.09164	1.4
325.11258	5.5
343.12119	0.8
366.19461	0.2
629.80719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05514	5.1
57.03433	2.5
57.07063	1.1
58.53994	0.9
61.02919	7.7
67.05499	10.5
69.03419	2.4
69.07069	2.1
71.04989	1.0
71.08638	1.5
73.02906	4.1
79.05485	15.9
81.03410	3.7
81.07030	7.5
82.91096	1.1
83.08627	1.2
85.02914	6.9
91.03922	2.6
91.05463	13.9
93.07018	11.2
93.11397	1.0
95.04957	4.0
95.08610	6.2
97.02898	5.6
101.02421	1.8
105.07043	6.5
107.08604	3.9
109.06566	1.1
109.10137	1.2
117.07042	5.6
119.08593	5.4
121.10147	1.1
123.08056	1.3
129.07039	6.0
131.08589	2.0
133.10156	5.0
143.08551	1.5
145.10120	3.5
147.11699	1.8
155.08560	1.5
157.10112	1.5
171.11664	1.2
177.05475	1.0
243.08540	4.3
268.75946	1.1
273.21765	1.1
368.30981	1.1
465.20956	5.7
487.30615	1.3
559.29108	4.6
693.41217	1.8
783.42792	100.0
784.42535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05514	5.1
57.03433	2.5
57.07063	1.1
58.53994	0.9
61.02919	7.7
67.05499	10.5
69.03419	2.4
69.07069	2.1
71.04989	1.0
71.08638	1.5
73.02906	4.1
79.05485	15.9
81.03410	3.7
81.07030	7.5
82.91096	1.1
83.08627	1.2
85.02914	6.9
91.03922	2.6
91.05463	13.9
93.07018	11.2
93.11397	1.0
95.04957	4.0
95.08610	6.2
97.02898	5.6
101.02421	1.8
105.07043	6.5
107.08604	3.9
109.06566	1.1
109.10137	1.2
117.07042	5.6
119.08593	5.4
121.10147	1.1
123.08056	1.3
129.07039	6.0
131.08589	2.0
133.10156	5.0
143.08551	1.5
145.10120	3.5
147.11699	1.8
155.08560	1.5
157.10112	1.5
171.11664	1.2
177.05475	1.0
243.08540	4.3
268.75946	1.1
273.21765	1.1
368.30981	1.1
465.20956	5.7
487.30615	1.3
559.29108	4.6
693.41217	1.8
783.42792	100.0
784.42535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.3
55.05504	30.3
57.03428	24.7
59.04993	5.0
61.02916	26.5
67.05510	51.3
69.03420	8.7
69.07076	15.5
71.04961	6.5
71.08616	5.8
73.02939	4.7
76.96153	4.8
79.05482	69.8
81.03404	24.4
81.07046	61.6
83.01358	8.7
83.04961	19.3
83.08620	9.4
85.02890	18.2
91.03960	4.1
91.05470	100.0
93.07007	66.4
95.04964	20.8
95.08589	21.7
97.02890	21.4
97.06533	6.9
105.07011	42.4
107.04956	20.9
107.08578	33.3
109.06501	6.2
109.10154	8.9
115.05407	7.8
117.07002	70.7
119.08521	34.4
121.10154	18.1
123.08009	5.5
128.06221	4.7
129.06996	40.3
131.08542	55.3
133.10164	8.9
135.08099	8.5
135.11647	10.2
141.06984	26.9
143.08597	8.8
145.10143	43.3
147.08055	4.9
147.11681	7.2
155.08553	20.3
157.10132	19.4
159.11751	8.5
161.09622	6.9
163.11177	29.9
167.50766	4.9
169.10092	22.9
171.11661	8.1
173.09651	6.1
183.11771	5.9
187.14780	7.1
191.10721	5.3
197.13277	6.3
201.16402	10.0
205.58922	4.6
227.12607	5.8
267.21115	19.1
283.15338	87.7
285.22119	29.0
359.25610	9.6
391.88785	4.7
551.53375	4.9
567.36487	24.9
571.36023	8.6
585.37622	30.7
653.04895	5.2
781.43127	28.4
782.43781	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.03423	7.8
57.07059	7.1
58.06304	1.8
58.06590	45.0
59.07370	12.5
60.08163	9.4
67.05505	7.5
67.34869	1.2
69.07066	2.1
69.84552	1.0
71.08611	2.7
72.78130	1.1
73.91649	1.1
75.04455	1.4
79.05516	2.0
81.07027	5.1
83.08588	1.5
84.08096	1.3
85.02891	1.9
87.04435	5.6
93.07033	1.5
95.08568	2.5
97.06491	1.8
101.24317	1.3
105.07017	1.8
117.06995	2.2
124.99986	1.4
144.10172	15.4
162.11235	7.6
164.31897	1.3
184.07263	1.7
218.13939	1.5
229.06744	1.3
236.14905	100.0
270.15814	1.5
274.05548	1.3
340.79367	1.3
456.36569	6.3
474.38022	13.1
654.48004	1.4
668.50592	7.9
746.55841	17.0
764.56671	12.1
782.57635	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05495	2.5
57.03436	6.3
57.07071	5.5
58.06591	33.2
59.07372	11.7
60.08157	10.5
67.05507	4.3
69.07053	1.4
71.08622	3.8
75.04464	2.8
77.89271	0.6
79.05491	2.4
81.07043	5.0
83.08616	1.4
84.08109	0.8
85.02889	1.3
85.10181	0.9
87.04459	4.1
91.05455	0.8
93.07022	2.3
95.04957	0.9
95.08581	4.4
102.05541	0.6
104.22974	0.6
105.96587	0.6
107.08611	0.8
108.65609	0.6
109.10155	0.8
113.05983	1.3
118.28255	0.6
136.43437	0.7
144.10185	16.6
144.11255	0.7
162.11220	5.1
184.07281	0.7
200.08733	0.7
218.13870	2.6
227.27226	0.6
236.14894	100.0
313.27408	1.1
412.37988	0.9
456.36908	7.2
463.90329	0.6
474.37851	15.3
508.32693	2.7
526.34045	2.5
544.34576	0.8
746.55444	7.6
764.56439	24.6
782.57605	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.9
55.05498	35.1
57.03432	9.4
67.05499	61.3
69.07063	9.0
75.92654	4.2
79.05488	59.9
81.03413	6.4
81.07050	54.7
83.04966	7.8
83.08617	19.6
85.76334	4.2
91.05469	100.0
93.07031	75.4
95.04948	8.9
95.08596	32.9
97.02901	7.1
97.06525	6.5
99.00800	18.2
105.07015	67.7
106.05605	4.1
107.08590	23.4
109.02858	6.6
109.06520	5.7
109.10161	16.0
115.05496	6.0
117.06991	37.8
119.08548	39.7
121.06493	8.6
121.10165	9.9
129.07024	23.5
131.08554	50.4
133.10110	53.1
135.11714	7.0
138.21423	4.9
141.06966	5.7
143.08585	18.5
145.10136	33.0
147.11694	9.8
151.11198	10.4
155.08519	5.0
157.10132	5.6
159.11638	9.3
161.09616	25.9
161.13271	6.0
173.13344	8.2
179.10684	6.9
183.11752	7.4
185.13214	4.7
189.09317	4.6
201.16411	17.8
225.11215	7.3
225.16351	8.6
267.21063	23.3
281.17267	6.8
285.22076	26.0
299.14877	80.8
311.99274	4.8
359.25937	40.6
397.81927	4.8
432.71561	4.7
565.39130	5.7
583.35913	22.3
780.40698	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	779.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05488	1.1
57.03428	3.1
61.02917	7.1
67.05492	6.0
69.03417	4.3
69.07061	1.0
71.01352	0.5
71.04978	2.5
71.32813	0.4
73.02909	3.1
79.05483	4.7
80.80276	0.4
81.03392	2.8
81.07038	6.8
85.02880	6.2
87.04478	0.6
91.03938	3.1
91.05453	3.9
92.09410	1.0
93.07021	4.8
95.04932	0.9
95.08592	4.9
97.02871	4.4
99.04454	1.1
101.02318	1.5
105.07020	2.3
107.08596	2.1
107.85076	0.4
109.02841	0.7
109.10132	0.9
111.08067	0.4
119.08570	2.1
121.10120	3.6
127.03909	2.0
131.08560	2.7
133.10100	0.5
135.11685	0.9
147.11667	0.8
149.09639	1.2
149.13287	0.6
164.47519	0.4
185.04196	0.5
243.08478	3.1
283.15015	7.0
331.39044	0.6
340.65506	0.5
347.61313	0.5
501.22974	7.6
519.29272	8.4
701.98517	0.5
779.45349	100.0
780.45807	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	780.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	19.7
55.05505	42.4
57.03427	28.2
59.04993	4.8
60.27375	2.5
61.02909	17.2
65.03939	3.0
67.05497	59.0
69.03402	6.3
69.07050	6.9
71.04966	7.2
72.43897	2.6
73.02895	4.5
79.05475	70.7
81.03395	17.3
81.07030	57.9
83.01335	17.9
83.04966	24.8
83.08595	24.1
85.02883	19.2
91.03952	3.0
91.05457	86.8
93.07024	69.1
95.04946	15.9
95.08592	39.3
97.02863	11.2
97.06516	4.7
99.04449	3.9
105.04597	2.8
105.07013	65.9
107.04932	18.9
107.08573	40.1
109.06530	12.6
109.10158	4.9
115.05424	4.7
117.06977	52.8
119.08564	41.4
121.06493	6.9
121.10133	22.4
123.08019	11.1
128.06204	7.0
129.06970	56.7
131.08563	38.4
133.06471	3.5
133.10118	18.1
135.08025	12.2
135.11658	19.4
141.07011	24.2
143.08548	41.0
145.06548	4.0
145.10118	37.2
147.08020	3.6
147.11693	6.5
153.12747	2.9
154.07855	5.5
155.08530	30.5
156.09319	2.9
157.10126	31.4
157.69377	3.7
159.11684	6.4
161.09511	4.0
163.11169	24.9
167.08571	14.4
169.10060	29.0
171.11678	13.3
173.09602	5.7
173.13187	5.1
175.48387	3.2
180.79895	3.6
181.10072	21.0
183.11668	11.8
185.13287	14.3
189.12700	5.2
195.11658	16.4
196.12462	2.9
197.13260	12.4
199.11208	3.3
199.14798	21.9
209.11534	3.8
209.13261	5.2
211.14897	4.0
223.14781	7.1
236.14812	3.0
241.19394	3.2
265.19525	20.4
283.15375	100.0
283.20355	40.4
357.24188	12.4
445.20428	12.9
565.35083	20.0
583.36194	28.7
597.69440	3.4
780.40900	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	778.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.6
57.03435	21.9
61.02928	6.2
64.33024	5.8
67.05498	100.0
69.07060	22.2
71.14548	5.0
79.05479	68.4
81.07049	86.6
83.08619	8.2
85.23927	6.1
86.09695	24.4
91.05464	33.5
92.08555	5.7
93.07029	88.5
95.08601	67.1
105.07027	28.0
107.08608	52.7
109.10159	37.5
117.07005	11.8
119.08593	24.4
120.69907	5.6
121.10109	35.0
125.00009	6.8
125.76911	6.9
131.08565	25.4
133.10112	12.1
135.11700	13.6
147.11694	7.5
157.32176	6.2
159.11734	7.4
161.13214	6.4
181.10219	6.9
184.07333	38.2
247.20662	11.3
258.79556	5.7
261.22217	8.2
321.24234	38.6
335.25815	47.6
404.36804	7.1
516.66260	6.7
530.56989	6.2
581.45807	9.4
599.46332	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	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39967	0.9
55.05506	2.5
57.03428	2.3
61.02922	6.9
65.15543	0.9
67.05501	6.1
69.03417	2.5
69.07062	2.3
71.04975	1.4
73.02895	4.1
73.68491	0.8
74.98331	1.2
75.64005	1.1
79.05482	7.5
81.03413	4.4
81.07053	5.3
83.04984	1.2
83.08598	2.0
85.02909	7.0
91.05479	6.8
93.07024	5.0
95.04980	2.0
95.08614	1.9
97.02901	5.4
97.06547	1.4
97.10160	1.1
99.04405	1.2
101.02347	1.3
104.11431	1.1
105.07027	4.1
107.08601	1.6
119.08573	1.6
121.10228	1.1
121.58860	1.3
127.03933	1.6
131.08600	1.1
133.10158	1.4
193.12169	1.5
243.08400	1.3
305.33389	1.1
333.20520	2.0
416.08002	1.3
469.20285	9.7
551.28229	4.4
606.97314	1.2
771.75500	1.3
779.41669	100.0
780.42719	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05507	16.2
56.04531	2.0
56.71220	2.4
57.03418	12.1
57.07060	2.8
59.21014	2.0
65.03915	3.1
66.71066	2.1
67.05495	43.2
69.07047	14.6
73.45869	2.1
79.05476	52.7
81.03407	24.7
81.07031	31.8
83.04965	9.0
83.44421	2.0
91.05460	100.0
93.07026	47.1
95.04946	9.9
95.08578	25.0
97.06508	8.6
97.10234	2.3
103.05458	5.3
105.07014	64.1
107.04929	3.1
107.08582	19.7
107.23431	2.2
109.06474	5.1
109.10190	4.7
111.55829	2.4
115.05433	5.4
117.06994	45.7
119.08558	50.7
121.06503	4.5
121.10133	11.1
123.08041	3.1
128.06204	25.5
129.05479	3.5
129.06972	75.2
131.08537	32.1
133.06444	3.0
133.10098	28.7
135.07979	3.5
135.11662	4.3
136.91884	2.2
141.06950	15.2
142.07773	2.8
143.08543	19.4
144.03778	2.5
145.06459	4.0
145.10100	13.9
147.08002	18.4
147.11673	14.4
149.13211	3.5
153.07031	3.2
154.07643	3.2
155.08524	3.9
157.10094	13.7
159.11731	8.7
161.09630	3.2
161.13206	5.7
165.07013	4.0
167.08530	10.3
169.10088	14.0
171.11682	15.9
173.13260	3.6
175.14807	3.0
183.11668	2.8
184.07239	4.0
185.13197	4.8
187.11211	3.5
195.11703	3.8
199.14803	3.3
209.13333	2.8
213.12740	4.3
241.19395	8.3
259.20547	16.0
305.17480	15.2
333.24323	23.9
335.25388	2.4
563.37524	19.2
581.38013	9.8
778.43359	4.7
779.40625	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	778.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
55.05508	30.6
57.03431	18.0
63.15858	2.6
65.03921	4.0
67.05495	84.9
69.03440	4.1
69.07061	14.1
70.24533	2.4
71.53737	2.4
73.02883	2.5
75.89970	2.2
79.05475	87.4
81.03405	12.7
81.07036	63.2
83.04961	10.9
83.08610	6.8
85.02884	4.7
85.06535	3.9
91.05459	100.0
93.07025	76.1
93.88523	3.0
95.04934	19.8
95.08594	40.2
97.02877	6.5
97.06486	3.2
102.83834	2.6
105.04518	2.6
105.06347	4.6
105.07015	65.1
107.08584	25.5
109.06535	4.1
109.10151	12.5
109.27526	2.8
115.05409	6.2
117.07008	39.9
119.08553	41.9
119.12902	2.9
121.10106	14.5
125.09628	3.0
128.06207	15.2
129.06976	50.3
131.08549	38.5
133.10088	22.9
135.11629	5.3
138.08194	3.2
138.33841	3.0
141.06995	15.7
142.07768	3.5
143.08549	37.8
145.10115	27.0
147.11664	25.3
153.06970	2.5
155.08493	19.3
157.10097	28.5
159.11664	12.3
161.09569	5.5
161.13248	6.6
167.08600	5.3
169.10106	11.8
171.11633	28.7
172.47084	2.9
173.13252	5.1
181.10135	13.9
183.11685	4.9
184.07407	5.3
185.13145	6.7
187.11208	4.3
189.12790	4.2
193.98293	2.6
195.11684	6.0
197.13376	3.8
199.11160	6.1
199.14778	20.8
201.12675	4.2
207.13878	11.1
209.13200	6.5
211.14771	3.1
223.14732	3.9
245.20151	3.0
255.21286	2.9
264.32767	2.9
265.19537	19.7
281.17352	51.2
283.20499	37.6
357.24295	11.8
396.34857	3.0
563.37024	18.1
581.38379	23.8
610.84515	3.1
778.43506	6.6
779.40533	5.1
806.57642	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	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05503	7.5
57.03426	3.9
61.02922	11.6
64.33471	1.3
67.05492	9.2
69.03427	1.9
69.30172	1.4
71.05003	1.4
73.02894	7.0
74.99670	1.3
79.05482	8.9
81.03413	7.3
81.07047	9.0
83.08630	1.8
85.02902	8.3
91.03951	6.2
91.05460	9.8
92.05785	1.6
92.08718	3.5
93.07039	9.5
95.04950	3.9
95.08600	3.9
97.02890	11.8
98.72609	1.7
99.04453	1.7
101.02386	3.3
105.07056	2.7
107.08581	2.4
109.02894	2.5
109.06455	1.7
109.10143	2.3
119.08577	2.2
127.03925	2.2
129.07033	2.3
131.08548	2.4
135.07953	1.8
145.10217	2.2
147.11678	2.0
156.73563	1.6
163.11205	3.5
243.08487	2.2
249.10991	1.9
394.08374	1.6
440.94553	1.9
465.20862	13.0
467.18707	23.0
468.19260	1.8
502.85208	2.2
609.71979	1.7
661.31427	2.0
679.32727	2.7
691.21246	3.7
691.32898	100.0
692.33270	3.1
759.38715	11.4
776.40674	10.7
777.40387	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	777.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05515	4.0
57.03442	3.3
61.02916	7.4
67.05489	10.6
69.03400	6.0
69.07070	4.4
71.05003	1.3
73.02920	4.6
79.05475	8.2
81.03423	5.3
81.06583	1.2
81.07031	10.5
81.07401	0.7
83.04994	1.0
83.08623	1.7
85.02869	6.6
91.03973	4.3
91.05438	6.4
92.09225	0.9
93.07011	6.6
95.04956	1.7
95.08620	4.6
97.02856	6.4
97.06561	1.3
99.04461	1.4
101.02380	1.6
105.07010	5.6
107.04928	0.9
107.08604	4.8
109.10158	3.2
114.41087	0.8
116.76266	0.8
117.07019	1.0
119.08590	4.4
121.10146	1.1
123.08093	0.9
125.09592	0.9
127.03963	1.4
129.67851	0.7
131.08600	1.8
133.10146	3.3
135.11682	1.4
145.10152	1.7
151.11299	0.7
153.08984	0.8
163.11223	3.1
173.11838	0.9
220.80748	0.8
243.08473	4.1
249.34570	0.7
280.60263	0.7
283.15607	0.9
317.15268	0.8
317.31812	0.8
389.23224	0.9
408.68457	0.9
467.19000	6.2
469.20236	1.2
527.78619	0.9
549.26917	1.0
551.28149	5.4
777.40167	100.0
778.40851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05507	4.4
57.03427	3.7
61.02921	7.5
63.40820	0.5
67.05499	8.3
69.03411	5.0
69.07074	2.6
71.05006	1.3
73.02903	5.1
75.52046	0.5
78.37873	0.5
79.05484	7.3
81.03402	4.3
81.07048	6.3
83.04990	0.8
83.08610	1.2
85.02893	7.8
91.03941	5.0
91.05477	6.7
93.07025	7.3
95.04964	2.8
95.08600	5.6
95.47795	0.6
96.05266	0.8
97.02885	6.7
97.06511	0.7
99.04440	0.6
101.02394	2.3
105.07031	6.9
107.04959	1.2
107.08568	4.7
109.02872	0.9
109.06575	0.7
109.10146	3.0
117.07027	2.3
119.08569	5.1
121.10135	2.4
127.03933	2.9
131.08591	2.7
133.10120	4.2
135.11702	1.3
145.10136	2.4
147.11726	1.1
157.10144	0.8
159.11708	1.1
163.11247	1.1
185.04196	1.1
243.08507	3.0
265.10892	0.8
283.10394	1.2
295.92850	0.7
333.20557	1.1
467.18814	4.5
483.18195	3.6
517.27539	1.3
535.28925	3.3
551.28265	2.5
653.10138	0.7
759.38965	13.0
777.40179	100.0
778.40051	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	777.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81977	0.3
55.01862	0.8
55.05508	2.8
56.48971	0.4
57.03431	2.5
57.07066	0.7
61.02913	10.1
66.59392	0.4
67.05491	7.4
69.03417	4.9
69.07053	1.1
71.56506	0.3
73.02901	5.4
79.05479	5.3
81.03392	3.7
81.07034	7.3
83.04945	0.5
83.08627	0.9
85.02881	7.5
87.10236	0.4
91.03919	4.3
91.05467	3.8
93.07021	6.5
95.04956	0.8
95.08588	5.4
95.77138	0.4
97.02867	5.8
97.06584	0.5
97.10173	0.5
99.04447	1.1
101.02392	2.3
105.07032	3.0
107.08600	2.5
109.02874	0.6
109.10153	2.3
111.04433	0.7
112.15855	0.5
117.07031	0.8
119.08575	2.1
121.10137	2.5
127.03941	1.7
129.06956	0.5
129.18292	0.5
131.08551	1.8
133.10178	0.9
135.11700	1.9
145.10161	1.8
147.11743	0.6
163.11156	2.0
185.04239	0.6
233.76089	0.4
243.08299	3.3
261.21933	0.5
269.76575	0.4
281.13519	8.3
281.16043	0.6
337.16046	0.7
499.21579	5.7
519.29224	8.3
583.63092	0.4
690.42810	0.5
709.39594	0.6
743.42749	0.6
777.43799	100.0
778.44244	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.5
55.05507	34.5
56.68803	1.4
57.03433	25.4
57.07059	1.9
57.23075	1.4
61.02913	2.7
65.03932	3.2
67.05495	100.0
69.03406	6.8
69.07053	23.8
71.04967	3.3
79.05474	82.1
81.03387	9.3
81.07037	78.4
81.81094	1.7
83.04968	15.9
83.08607	20.0
85.02879	9.6
85.06532	3.8
88.26040	1.6
88.42652	1.7
91.03934	1.9
91.05465	54.8
93.07024	94.5
95.04946	18.6
95.08588	54.3
97.02856	9.9
97.06502	9.8
97.10149	10.8
99.04414	2.0
99.08102	1.6
103.10580	1.4
105.07021	41.5
107.04936	11.0
107.08582	49.8
109.06503	6.3
109.10145	34.3
111.04413	13.0
111.08015	2.3
115.05428	1.8
117.06991	19.8
119.08574	32.1
121.06497	3.6
121.10125	39.0
123.08025	3.6
123.11694	3.4
125.06020	1.7
125.09601	3.7
129.06956	10.3
130.07755	2.8
131.08540	25.0
133.06497	1.8
133.10112	18.5
135.07996	2.8
135.11694	20.3
137.09564	3.7
138.45430	1.5
138.46481	1.7
139.11159	3.7
141.07001	2.9
143.08546	3.8
145.10121	27.3
147.08038	4.0
147.11679	13.5
149.09592	3.3
149.13248	10.8
153.50005	1.5
155.08568	1.9
157.10091	2.9
159.11693	8.8
161.09596	1.9
161.13222	10.1
163.11131	9.2
163.14763	2.0
171.11658	2.5
173.09644	3.4
173.11714	3.4
173.13232	7.1
175.14928	2.3
177.12535	2.0
181.10085	2.7
181.12175	2.1
185.13179	4.1
187.14760	1.8
191.10654	3.4
201.16333	1.8
209.11684	45.4
227.12657	7.3
229.14293	2.8
241.14265	2.6
261.22122	3.2
283.15369	12.2
301.16428	15.5
303.23157	3.1
315.23114	7.1
335.25720	32.5
433.30945	2.1
451.31934	2.2
469.32874	3.1
487.34073	2.9
515.37158	2.4
525.36029	1.8
543.36652	35.6
561.37787	44.8
579.30200	3.5
579.38800	6.0
775.40186	6.1
776.41193	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.6
55.05505	36.0
57.03421	19.4
57.07065	3.4
61.02919	4.0
65.03922	2.7
66.52799	1.9
66.94099	2.0
67.05492	95.5
69.03410	5.4
69.07048	31.5
70.13412	1.9
71.04949	7.7
79.05475	89.6
81.03393	14.8
81.07038	93.4
83.04962	16.4
83.08597	17.0
85.02895	4.2
85.06549	2.8
91.05463	55.9
93.07024	100.0
95.04957	19.3
95.08587	57.5
97.02868	11.5
97.06525	4.9
97.10152	11.8
105.07004	40.2
107.04936	9.4
107.08581	47.8
109.06488	4.2
109.10135	23.8
111.04409	19.4
111.08023	2.6
117.06979	23.1
119.08556	32.6
121.06511	3.8
121.10133	43.2
123.08064	4.6
123.11699	11.3
125.09634	3.0
129.07001	9.8
131.08539	34.7
133.10101	27.5
135.08035	4.8
135.11682	17.1
137.09622	4.1
143.08533	5.1
145.10100	28.9
147.11674	12.0
149.09572	5.7
149.13263	3.7
151.11105	2.6
154.67064	2.7
155.08517	3.4
157.10066	3.3
159.11632	5.1
161.13287	4.6
163.11162	14.8
163.14670	2.8
167.77885	2.2
169.10207	2.8
171.11678	10.4
173.09573	3.1
173.11809	2.8
173.13290	9.8
183.11729	4.4
185.13310	3.0
187.14821	3.1
191.10677	8.9
199.59274	2.3
209.11696	44.5
227.12755	5.2
229.14389	10.2
259.20581	2.3
261.22043	4.5
283.15372	14.5
301.16269	17.8
301.21622	2.4
303.23196	3.8
315.23151	4.8
333.23975	2.7
335.25845	30.9
359.25613	3.4
371.57056	3.4
433.30981	3.5
501.35791	3.3
519.36969	2.5
525.35583	5.1
543.36682	36.9
561.37701	35.7
579.38611	14.4
775.41797	3.0
776.41913	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	776.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48096	0.7
57.03441	0.9
57.10711	0.9
59.34117	0.8
64.69271	1.0
67.05499	1.3
67.91961	1.0
72.50363	1.0
79.05470	7.2
81.07042	1.9
87.04424	1.7
89.06013	17.1
91.05476	2.4
92.88262	1.0
93.07049	3.1
95.04982	1.0
95.08566	1.8
103.05463	5.2
105.07014	100.0
106.07406	1.3
107.08578	1.7
117.07004	1.6
119.08562	1.9
119.63040	1.0
121.06474	5.8
129.07048	1.3
131.08551	3.9
133.08601	7.1
145.10094	1.1
147.08025	2.2
177.11191	2.3
225.12709	5.1
251.14345	7.5
313.18170	1.3
329.18869	1.9
373.21664	1.7
551.31775	6.0
640.18274	1.2
655.38342	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	776.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
67.05486	2.1
69.07052	1.3
75.76297	1.1
79.05465	8.6
81.07056	2.5
82.63125	1.1
87.04443	1.8
89.06013	21.3
91.05479	5.0
92.09297	1.3
93.07023	1.9
95.04877	1.4
103.05461	5.8
103.17854	1.2
105.07020	100.0
107.08595	1.9
117.06996	2.1
119.08587	1.7
121.06519	5.2
122.30812	1.1
131.08562	5.2
133.08597	7.4
145.10126	1.3
147.08018	1.6
157.69974	1.2
177.11156	1.5
225.12700	5.6
251.14282	2.9
269.15356	2.1
329.19125	1.7
363.00357	1.3
373.21780	1.3
417.83456	1.4
551.31757	5.6
575.56091	1.3
635.26813	1.2
655.37939	1.9
759.42902	1.6
794.25464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40786	0.6
55.05511	4.5
57.03437	2.8
59.57649	0.6
61.02911	7.6
64.52162	0.6
67.05492	8.3
69.03426	4.5
69.07072	4.1
72.11291	0.6
73.02908	4.4
79.05474	8.2
81.03408	3.8
81.07035	9.1
83.04980	0.8
83.08628	1.3
85.02889	7.1
91.03968	3.5
91.05453	9.7
91.05919	0.7
93.07020	7.7
95.04965	3.0
95.08618	3.5
97.02875	5.8
97.06530	1.5
99.04493	1.0
101.02390	2.6
105.07015	6.2
107.05022	0.9
107.08632	4.2
109.06488	1.2
109.10188	3.0
111.08033	0.8
117.07024	3.2
119.08585	2.7
121.10168	3.4
125.09633	0.8
127.03900	1.3
129.06987	1.1
131.08588	1.4
133.10129	1.7
135.11705	1.6
145.10146	1.2
147.11694	1.7
149.13263	0.8
243.08478	4.2
247.13025	1.1
301.08987	0.8
465.20752	6.6
481.20718	3.9
535.28839	3.1
551.28546	2.7
775.42365	100.0
776.42212	1.5
789.17859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.4
57.07070	3.9
57.12039	1.9
57.64268	2.0
61.02919	6.1
62.57111	2.3
67.05496	3.8
69.03426	2.8
71.38226	2.3
73.02879	3.4
79.05492	4.4
81.07042	5.2
85.02895	10.4
95.08595	5.0
95.59657	2.4
97.02863	4.4
97.16402	2.4
105.07082	2.5
124.47487	2.4
144.10202	3.3
146.60324	2.6
148.39468	2.4
184.07364	2.9
228.71184	2.5
236.14978	4.7
236.82469	2.3
243.08530	3.0
442.89487	2.7
497.30966	4.9
519.29419	4.2
687.51404	4.5
688.51288	12.1
774.58661	5.2
775.52893	100.0
776.53827	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	776.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.4
55.05509	30.0
57.03430	8.4
62.87563	3.2
65.03925	4.0
67.05496	75.5
69.03421	6.2
69.07050	22.9
71.04977	7.6
77.08308	3.2
79.05472	50.4
80.97783	3.5
81.03391	13.7
81.07041	100.0
82.07363	3.5
83.04971	16.8
83.08601	19.6
85.02888	5.5
86.09701	4.6
91.05463	71.6
93.07045	41.8
95.04945	20.3
95.08589	28.1
97.06483	4.1
97.10154	16.6
105.07023	56.4
107.04955	4.9
107.08586	48.9
109.06493	16.9
109.10145	63.7
111.04404	13.4
117.06998	7.9
119.08590	30.5
121.10095	16.6
123.08038	17.8
123.11678	14.2
125.05969	3.4
125.09587	21.6
129.06931	5.4
131.08560	6.7
133.06470	5.1
133.10121	85.8
135.08070	11.9
135.11673	7.4
143.08507	4.0
145.10129	12.5
147.08035	3.9
147.11668	6.4
149.09634	7.1
151.11180	41.7
153.12704	4.1
158.45464	3.4
159.11604	3.5
161.09575	6.8
163.11143	15.9
175.11102	4.1
184.07335	19.9
189.11200	6.2
191.10739	5.3
238.18541	3.5
253.14281	78.5
257.32898	3.4
266.20834	3.4
271.15454	32.7
273.18375	29.4
291.19522	38.8
309.20444	5.8
347.22198	6.0
365.23273	13.7
383.24338	6.3
433.41562	3.9
543.32770	18.0
561.34088	62.7
579.35175	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	775.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36634	0.4
55.01865	0.6
55.05502	3.1
57.03428	3.1
61.02918	5.9
61.30589	0.5
67.05482	6.8
69.03413	3.1
69.07055	2.9
73.02914	4.3
79.05480	7.5
79.22392	0.6
81.03402	2.9
81.07046	9.3
83.04975	2.1
83.08603	0.9
85.02899	6.1
91.03943	1.2
91.05466	7.5
92.08607	0.6
93.07030	6.9
95.04972	2.5
95.08590	3.5
97.02880	5.1
97.10152	0.5
100.93087	0.5
101.02361	0.9
105.07024	4.0
106.71091	0.5
107.04939	1.1
107.08582	2.6
109.10183	0.9
117.07029	2.1
119.08578	3.3
121.10187	1.0
126.34512	0.6
127.03980	0.8
129.06993	0.7
131.08510	0.8
133.10147	1.2
135.11662	1.7
145.10062	1.0
147.11722	2.2
155.11208	0.5
171.11713	0.7
203.05272	0.6
207.13794	0.5
228.40800	0.5
243.08385	3.9
247.13164	0.8
282.35114	0.7
333.20499	2.4
428.12466	0.5
439.19791	0.5
453.21350	0.7
465.20798	9.8
482.70218	0.6
551.28271	5.9
563.68439	0.5
693.24377	0.6
775.42242	100.0
776.42102	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87989	0.3
55.01866	0.7
55.05505	2.6
55.05730	0.3
57.03431	2.6
61.02914	5.4
67.05494	6.3
69.03415	2.9
69.07047	2.4
71.04975	0.7
72.88689	0.3
73.02900	3.4
76.30383	0.3
79.05471	7.1
81.03393	3.2
81.07040	9.0
83.04972	0.9
83.08601	0.8
83.89357	0.4
84.66859	0.3
85.02880	5.0
86.03216	0.3
91.03951	2.3
91.05459	6.3
91.05932	0.4
92.05780	0.4
93.07009	6.2
95.04948	3.0
95.08583	3.7
97.02856	3.5
97.06498	0.7
97.10146	0.3
99.04480	0.6
101.02364	2.2
105.04526	0.4
105.07010	5.0
107.04955	0.7
107.08551	2.9
109.02851	0.6
109.06509	0.5
109.10160	1.5
117.07020	1.5
119.08549	3.4
121.06452	0.4
121.10142	0.6
123.08051	0.5
127.03872	0.8
129.07021	1.9
131.08568	1.4
133.10133	2.3
135.11682	0.8
143.08591	0.6
145.10112	1.4
147.11687	2.1
157.74527	0.3
161.13202	0.8
163.11180	0.5
171.11707	1.5
180.10783	0.3
184.07329	0.4
189.12836	0.4
203.05173	0.4
207.13899	0.5
243.08331	3.5
247.13051	2.1
333.20450	2.2
389.23154	0.5
401.76801	0.4
439.19528	0.7
447.47992	0.4
453.20584	1.0
465.20859	11.0
515.63812	0.4
551.28180	5.2
592.28326	0.4
597.13916	0.4
762.46002	0.4
775.42200	100.0
776.42383	3.6
795.88599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
55.05508	7.3
56.20752	1.1
57.03435	5.1
61.02922	8.8
66.56160	1.1
67.05497	11.3
69.03420	2.1
69.07056	3.0
69.88242	1.3
73.02920	2.7
79.05482	19.7
81.03415	5.7
81.07047	13.9
82.07394	1.4
83.04969	2.7
83.08619	1.6
85.02901	9.4
86.09724	1.4
86.81193	1.2
91.03954	4.4
91.05472	13.3
93.07038	11.8
95.04965	5.8
95.08625	6.1
97.02889	7.2
105.07046	8.1
107.04951	1.9
107.08628	7.0
109.02872	1.6
109.10178	1.9
117.06990	1.8
119.08604	6.5
119.53044	1.4
121.10085	1.4
127.03913	1.6
131.08571	1.9
133.10165	5.8
145.10158	2.8
147.11713	2.2
211.38457	1.5
243.08505	2.3
247.13173	1.9
259.58655	1.3
261.53745	1.2
465.21094	10.8
522.77527	1.3
551.28448	6.5
566.93762	1.4
775.42151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
55.05505	9.1
56.05847	1.1
57.03426	2.5
61.02913	1.2
67.05498	17.4
69.07055	4.2
69.66304	0.9
71.01338	2.3
79.05482	14.1
80.05850	1.4
80.64854	0.9
81.03414	1.4
81.07051	13.0
82.07363	1.5
83.08616	4.0
85.02890	1.3
91.05461	9.5
92.97296	1.2
93.07034	14.2
95.04942	2.1
95.08584	11.2
96.08916	1.2
97.02897	1.6
97.10155	2.6
100.63109	1.0
101.06007	5.1
105.07016	7.2
107.08583	5.9
109.06503	1.1
109.10143	7.1
117.07024	2.2
119.08582	6.1
121.10137	5.1
131.08545	1.8
133.10136	1.6
145.10071	1.4
147.11777	1.3
162.80754	1.0
225.11067	1.3
261.22168	2.1
284.44318	1.2
299.14844	10.4
300.15237	2.2
317.24280	1.1
326.08408	1.1
335.25858	11.8
336.26282	6.0
336.92947	1.2
406.32458	1.2
559.36548	1.9
560.36554	5.0
659.00031	1.2
747.86383	1.2
775.40222	100.0
776.39813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05508	15.0
57.03429	9.1
57.07077	0.9
59.04979	0.6
60.03300	0.6
61.02923	9.8
65.71716	0.6
67.05496	27.4
67.05850	1.0
68.05832	2.9
69.03413	5.4
69.07057	6.3
71.01341	5.9
71.05016	1.2
71.08620	0.9
73.02899	5.9
74.05565	0.7
79.05479	24.2
80.05817	1.4
81.03413	4.6
81.07043	24.7
82.07398	1.0
83.04982	3.7
83.08620	4.7
85.02894	12.8
87.04490	0.9
91.03943	5.9
91.05460	17.1
91.05981	0.8
92.05804	0.7
93.07024	23.1
93.07568	1.2
95.04964	6.9
95.08583	14.8
96.08942	1.0
97.02878	5.8
97.06528	0.8
97.10166	1.8
99.00805	0.9
99.04449	1.1
101.02393	3.4
103.03957	1.0
103.05452	0.7
105.07005	15.4
106.07362	1.7
107.04955	1.7
107.08580	13.2
109.02911	0.9
109.06532	3.0
109.10147	7.3
117.07020	4.0
119.08597	7.7
121.06510	1.2
121.10155	4.9
123.08092	2.9
127.03924	2.7
129.07036	3.2
131.08588	3.5
133.10098	5.3
135.00122	0.7
135.08070	0.8
135.11710	4.0
136.75299	0.7
137.09631	1.4
141.06926	0.7
143.08563	1.5
145.10156	4.3
147.08104	1.4
147.11678	6.0
149.13234	1.5
159.11717	1.1
161.09601	1.3
161.13303	3.5
171.11714	4.7
207.13803	1.4
243.08385	4.4
247.12959	5.6
261.22141	1.0
262.22421	1.0
265.69394	0.7
272.17953	0.8
281.17545	3.4
299.14838	17.7
299.17932	1.2
300.15314	3.4
303.15683	3.6
335.25638	11.8
336.26202	4.9
352.97903	0.8
371.16806	0.8
410.27921	0.7
465.20892	42.0
527.29877	2.8
533.26965	1.1
537.22760	0.8
546.96838	0.8
551.28326	1.4
559.36310	3.7
560.36707	4.0
659.34003	1.7
677.35272	3.5
688.35449	0.9
689.34943	100.0
690.35297	4.5
719.84790	0.8
757.40924	12.2
774.40851	6.3
775.41913	42.7
776.42993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54434	5.2
55.05510	7.7
55.75415	5.2
57.07059	58.7
58.77665	7.1
64.33190	5.5
66.04266	5.7
67.05493	14.7
69.07055	11.3
71.08616	35.5
73.06516	8.7
79.05476	7.7
81.07036	27.3
85.10148	15.1
87.04446	9.1
89.06015	100.0
91.05474	9.3
93.07014	12.9
95.08593	9.0
97.92567	6.8
105.06985	9.9
111.88233	6.6
133.08583	46.5
134.38991	7.3
177.11169	26.7
229.80576	6.3
707.13922	8.1
774.58752	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	775.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.1
55.05497	8.0
57.03446	4.4
61.02913	6.4
67.05489	14.2
69.03416	6.1
69.07043	6.3
73.02880	2.9
75.18866	1.3
79.05469	14.6
81.03388	5.5
81.07037	11.8
83.04983	2.4
85.02891	8.9
85.15830	1.4
91.03951	2.7
91.05467	11.8
93.07038	12.8
95.04942	2.5
95.08598	4.9
97.02867	8.6
105.07021	10.4
106.23343	1.3
107.04993	1.4
107.08579	7.7
109.06490	2.2
109.10170	2.1
117.06977	2.2
119.08543	7.1
121.06542	1.3
121.10143	2.4
129.06982	1.5
131.08566	2.7
133.10114	3.5
135.11639	1.9
141.09340	1.5
145.10123	2.8
150.94098	1.3
157.10106	1.9
163.11143	1.6
171.11659	1.7
173.13316	1.3
175.52562	1.3
243.08356	3.2
283.15475	1.7
331.19012	1.5
465.21082	3.3
467.18765	9.2
549.26605	5.7
664.45935	1.7
775.39282	100.0
776.39587	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	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05267	1.3
55.05509	22.3
57.03176	1.4
57.03433	25.5
57.07064	1.8
59.40585	1.1
65.03924	2.0
67.05142	2.3
67.05498	60.7
69.03426	2.0
69.07054	18.1
71.04977	2.4
72.79971	0.9
74.33655	1.1
77.03912	1.1
79.05483	48.2
81.03406	100.0
81.07043	61.1
83.04968	7.1
83.08611	25.8
85.02890	1.5
85.06527	2.3
91.03983	1.1
91.05468	39.3
93.07027	53.9
95.04952	29.4
95.08590	43.4
97.02863	2.4
97.06533	4.2
97.10157	4.8
99.08037	1.3
105.07017	28.2
107.04943	7.2
107.08576	24.5
109.06514	4.6
109.10149	20.8
111.04449	1.2
111.08060	5.8
111.64722	1.1
117.06995	8.8
119.08553	21.9
121.06507	2.6
121.10121	24.7
123.04362	1.5
123.08060	4.3
123.11702	5.1
125.09618	2.2
129.06996	10.1
131.08554	19.2
133.06488	2.3
133.10115	14.2
135.11653	12.9
137.09584	2.0
137.13312	1.8
138.69855	1.1
142.07764	1.1
143.08533	1.4
145.10098	7.7
147.08063	4.0
147.11681	13.0
149.09621	6.9
149.13271	8.7
155.75937	1.1
157.10141	11.1
159.11681	5.8
161.13222	5.1
163.11121	2.2
163.14781	1.7
165.12766	2.5
173.13254	5.8
175.11208	9.7
175.14813	2.0
187.14752	2.1
189.11166	1.2
193.12212	20.2
227.12807	2.4
243.21025	5.3
249.14874	1.4
255.96857	1.1
261.22040	10.5
264.97250	1.1
267.15884	53.5
301.25238	2.5
317.24829	1.6
335.25757	60.0
367.74362	1.3
370.08188	1.2
435.27261	1.9
435.32700	3.8
453.33682	7.9
471.34702	1.5
509.36130	1.3
527.29608	2.1
527.37244	47.4
527.45129	2.1
528.37653	1.3
545.30194	2.2
545.38306	38.6
569.38275	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.5
55.05506	39.6
57.03432	26.8
57.70764	2.0
61.02912	2.7
65.03926	3.5
67.05492	83.5
69.03407	14.4
69.07050	37.5
71.04980	9.8
75.52930	1.9
79.05473	84.7
81.03397	76.0
81.07040	100.0
83.04961	24.9
83.08595	22.8
85.02887	35.3
85.06532	4.6
91.03930	2.1
91.05459	77.9
92.09407	2.3
93.07025	65.6
95.04948	43.6
95.08581	38.6
97.02882	4.5
97.06506	15.1
97.10149	12.3
105.07009	65.3
107.04945	16.1
107.08578	50.1
109.06519	14.2
109.10140	16.0
111.08082	12.6
111.57182	1.9
116.06164	2.6
117.07011	23.0
119.08550	42.5
121.06483	4.6
121.10120	23.8
123.08054	8.7
125.09621	9.1
129.07021	19.5
131.08557	37.5
133.06479	4.2
133.10115	36.2
135.08084	2.4
135.11697	10.9
137.06053	2.0
139.62039	2.1
141.06960	2.2
141.76971	1.9
142.07779	2.8
143.08578	3.9
145.10080	15.3
147.08011	5.1
147.11664	25.0
149.09546	19.8
149.13251	5.0
151.11201	2.4
155.08662	2.3
157.10104	25.2
159.11656	15.7
163.11142	12.9
163.15874	1.9
169.10062	3.9
170.29297	2.0
171.11685	3.1
173.13286	4.1
175.11145	19.1
187.11110	2.3
193.12219	39.4
211.13251	49.7
227.12781	5.0
229.19635	2.5
242.43964	2.2
247.20590	2.4
255.15889	4.7
257.18976	4.8
267.15869	19.0
269.17422	15.9
275.20059	19.6
285.16898	51.8
349.23691	20.3
367.24783	3.7
447.27377	5.0
455.26105	2.3
461.28732	20.3
465.28629	7.2
479.29987	49.4
541.35187	18.8
559.36285	44.1
577.36737	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.1
55.02081	1.0
55.05507	48.1
57.03180	1.6
57.03430	31.0
57.07057	2.7
61.02908	9.1
65.03914	5.5
67.05137	2.8
67.05492	80.3
69.03407	14.1
69.06709	2.0
69.07053	29.2
71.04972	7.5
73.02903	2.1
76.56825	1.4
79.05476	84.1
81.03401	62.4
81.07040	90.3
81.07529	2.9
82.04199	1.4
82.55850	1.2
83.04966	26.0
83.08603	24.8
85.02889	32.4
85.06527	5.6
91.03967	1.8
91.05463	100.0
92.08774	1.7
93.07022	78.9
95.04951	36.2
95.08585	45.6
97.02887	12.8
97.06514	12.0
97.10104	10.6
99.04449	1.6
99.08067	3.0
103.05457	2.1
105.04517	1.4
105.07016	99.1
107.04938	15.0
107.08583	39.7
109.06504	11.3
109.10143	16.0
111.04414	1.9
111.08049	9.3
113.05970	2.3
115.05453	6.2
116.04699	2.4
116.06174	1.4
117.07009	25.7
118.07753	1.5
119.08566	77.3
121.06496	5.2
121.10129	24.1
123.08024	10.2
123.11707	2.2
125.09639	4.8
128.06236	2.1
129.05511	10.0
129.06979	24.5
131.08548	39.7
133.06462	2.7
133.10117	51.2
135.08043	8.0
135.11665	15.8
137.09561	2.8
141.06938	5.1
142.07735	5.8
143.08559	9.6
144.91772	1.3
145.10117	25.0
147.08061	6.9
147.11671	35.2
149.09596	12.8
149.13214	9.3
151.11160	1.9
154.97128	1.3
155.08521	5.5
157.08650	5.4
157.10103	22.8
159.11687	15.0
161.13228	14.3
163.11165	7.1
165.12755	1.6
171.11697	10.7
173.13211	5.9
175.11147	11.9
175.14766	6.0
177.12679	2.9
181.10194	1.8
183.11671	2.0
185.13258	6.7
187.14789	2.1
189.08611	1.5
189.11137	1.6
193.12224	29.3
196.50516	1.4
197.13237	2.8
199.14821	3.1
200.87006	1.5
211.13257	32.5
227.12782	2.8
241.19377	10.9
242.76436	1.4
257.18890	2.7
259.20483	28.2
267.15915	15.4
269.17490	8.3
275.19983	12.7
283.15372	2.3
285.16885	31.8
301.16479	7.4
315.23190	1.8
333.24234	22.4
334.35190	1.3
345.23984	1.4
349.23654	5.8
379.76474	1.4
461.28873	2.9
469.33704	1.6
479.29956	20.3
507.34525	1.6
525.35486	10.4
541.35059	2.1
543.36621	21.7
559.36023	10.5
577.37317	5.4
775.41443	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	14.4
55.05502	68.2
57.03426	34.8
57.07075	3.4
64.33347	2.6
67.05487	82.7
69.03403	6.8
69.07041	26.3
71.04968	14.1
73.02879	2.8
79.05475	89.8
81.03397	91.4
81.07043	100.0
83.04956	35.1
83.08598	55.2
85.02883	43.1
85.06511	4.1
86.10285	2.8
87.36801	3.0
91.05457	99.7
93.07020	71.7
95.04945	95.3
95.08582	46.5
97.02861	13.0
97.06496	16.2
97.10149	20.6
99.04425	5.0
99.08022	4.1
99.43954	2.6
105.07009	87.4
107.04942	28.5
107.08571	44.6
109.06516	12.0
109.10164	21.6
111.04422	16.0
111.08077	15.6
115.05412	4.3
117.06986	17.3
119.08559	76.1
119.15496	3.1
121.06484	17.9
121.10114	36.3
123.08039	13.2
123.11648	3.7
125.09618	14.9
129.06978	21.9
131.08539	43.9
133.10104	46.1
135.07977	5.5
135.11659	12.7
137.09607	4.6
143.08562	6.0
145.10121	29.9
147.07997	13.8
147.11647	28.8
149.09601	28.0
149.13168	3.0
155.08601	4.7
157.10098	31.6
159.11713	15.4
163.11174	30.4
165.12700	7.4
169.10182	3.4
175.11110	22.2
184.07362	3.2
189.11159	3.9
193.12210	46.9
211.13237	58.0
223.13268	19.4
227.12718	3.3
239.17976	4.3
257.19061	5.2
267.15839	26.7
269.17313	5.8
275.20059	40.0
285.16882	64.0
293.21085	23.7
301.08307	3.3
349.23816	28.3
367.24548	30.1
461.28867	5.5
479.29813	12.8
541.35126	21.5
559.36115	58.2
577.37311	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
55.05507	38.2
57.03414	14.7
57.07058	3.6
61.02905	12.1
62.29784	2.1
65.03936	4.3
67.05138	4.6
67.05495	100.0
69.03426	3.4
69.07055	20.5
71.04991	2.1
73.02897	2.4
79.05475	88.2
81.03403	3.9
81.06599	4.1
81.07044	89.0
83.04971	4.3
83.08595	10.6
85.02891	9.0
85.06533	3.2
85.10075	2.3
86.44640	2.2
91.05463	85.6
92.09343	3.2
93.06489	4.0
93.07030	86.4
95.04951	10.2
95.08581	70.1
97.02888	5.1
97.06522	2.8
99.08044	2.3
105.07015	81.1
107.04910	2.3
107.08585	54.4
109.06478	9.3
109.10155	27.9
115.05462	3.8
117.06998	26.8
117.69851	2.6
119.08552	58.3
121.10131	32.7
123.08047	5.6
123.11736	4.6
128.06233	3.4
129.06999	18.8
131.08559	44.9
133.10126	45.2
135.11690	13.7
141.06958	2.7
142.07735	3.5
142.42673	2.3
143.08524	19.5
145.10132	31.0
147.11700	37.9
149.13234	10.5
151.57820	2.7
155.08528	5.8
157.10141	13.7
159.11665	28.5
161.13216	27.6
163.14708	3.0
169.10147	10.9
171.11650	23.4
173.13214	16.2
174.01263	2.8
175.14815	3.9
183.11621	4.6
185.13246	14.9
187.14780	9.6
197.13243	4.1
199.14864	9.5
201.16252	3.4
211.14757	3.9
231.21124	4.3
241.19522	15.5
243.08957	2.2
243.21140	3.5
249.62791	2.9
257.19040	4.5
259.20517	37.7
265.43634	2.7
301.21747	2.6
315.23059	3.6
333.24033	18.9
335.25784	38.6
400.18439	3.3
463.56827	2.4
514.85376	2.7
519.41516	3.8
578.70502	2.8
593.45117	2.9
601.44220	3.7
611.46570	55.9
612.46912	3.2
701.47131	2.8
755.50067	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05280	2.0
55.05501	21.3
56.29910	1.5
57.03431	3.0
57.07074	4.4
61.02916	20.7
67.05488	29.8
69.03413	8.8
69.07059	16.7
71.04981	2.4
73.02890	15.3
79.05468	23.9
79.44513	2.6
81.03412	3.5
81.07037	29.9
83.04951	2.2
83.08598	7.9
85.02903	13.3
91.03919	4.6
91.05459	20.4
93.07021	24.0
95.04893	2.3
95.08582	31.3
97.02872	12.6
97.06491	2.5
105.07009	22.0
107.08591	15.9
109.10149	9.2
117.07010	11.7
119.08542	19.5
121.10092	8.6
129.07002	14.2
131.08553	19.3
133.10126	9.6
135.11655	3.5
141.06990	2.6
143.08560	17.0
145.10123	18.7
147.11681	2.9
149.13199	2.6
155.08456	14.1
157.10107	14.8
159.11688	11.4
169.10054	14.2
171.11682	14.8
173.13249	8.8
181.10077	4.8
183.11667	9.8
185.13258	10.0
187.14708	3.0
195.11743	3.3
197.13260	4.0
199.14828	4.4
201.16319	3.7
209.13243	3.1
211.14780	2.9
213.16382	4.8
215.18015	2.0
225.16129	2.6
227.18073	2.3
239.17973	3.7
241.19695	2.7
303.09836	2.2
316.31357	2.0
519.42084	3.3
537.42841	3.4
579.49640	2.1
593.45526	7.9
611.37000	3.8
611.46698	100.0
612.47119	3.6
750.70465	2.1
773.52161	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05504	35.7
57.03430	14.0
57.07060	2.4
60.20378	2.1
61.02906	4.8
61.83538	1.9
61.93335	2.0
63.18614	1.9
64.47288	2.4
65.03932	2.6
67.05492	83.4
69.03403	5.4
69.07049	27.5
71.04942	2.4
79.05476	86.1
81.07043	74.5
83.04938	2.9
83.08590	9.6
91.03946	2.4
91.05458	81.3
91.06004	4.4
93.07027	100.0
93.07629	3.8
95.04946	11.1
95.08587	59.7
97.02879	8.9
97.06490	4.2
105.07008	87.7
107.08582	38.3
109.06460	3.0
109.10155	18.5
116.06279	2.4
117.07004	26.3
119.08556	61.6
121.10115	25.1
128.06219	4.0
129.06993	20.2
131.08549	43.0
133.06416	2.7
133.10095	37.7
135.11676	15.8
136.34981	2.7
137.09639	2.8
143.08549	19.5
145.10104	34.1
147.11702	26.3
149.13252	5.6
155.08588	3.1
157.10106	16.3
159.11684	23.8
161.13197	16.9
163.14748	2.7
169.10080	3.5
171.11662	17.1
173.13222	12.0
175.14807	9.9
183.11665	2.7
185.13191	11.1
187.14818	3.5
195.11670	3.2
199.11333	3.1
199.14772	10.4
201.16327	2.8
215.17807	3.5
218.72476	2.3
241.19499	16.3
257.18906	3.3
259.20538	35.4
273.22668	2.7
315.23288	4.6
331.92813	2.7
333.24014	21.0
335.25793	39.7
401.09628	2.5
593.45221	9.4
611.46454	47.4
701.46570	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	773.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05499	4.8
56.87431	0.9
57.03430	2.2
59.95148	1.0
61.02915	2.7
63.61951	0.9
63.77089	1.0
65.33308	1.1
67.05495	12.0
69.03416	2.2
69.07050	1.2
70.29263	1.1
73.02918	1.9
74.29897	1.5
74.62286	1.1
79.05476	12.0
81.03393	2.5
81.07063	9.1
81.07467	1.1
81.27966	1.3
83.04952	1.7
85.02897	5.5
91.03940	2.1
91.05452	10.4
92.63949	1.3
93.07028	9.6
95.04957	5.5
95.08601	5.4
97.02895	6.0
99.72582	1.2
105.07027	10.7
107.08585	5.2
109.02897	1.2
109.10169	5.3
117.07047	1.2
119.08545	2.0
131.08600	1.5
133.10123	4.8
135.11678	2.0
145.10164	1.4
147.11705	1.5
171.11687	1.7
243.08351	1.9
298.93976	1.2
331.18930	1.9
465.21140	7.5
549.26801	5.9
645.62561	1.3
771.61713	1.6
773.40674	100.0
774.41565	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	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82068	0.5
55.01864	1.1
55.05278	0.6
55.05500	4.3
57.03432	2.2
61.02915	5.0
67.05495	7.2
69.03421	3.4
69.06728	0.5
69.07040	4.1
71.04980	0.5
73.02898	3.9
79.05480	9.0
81.03420	2.5
81.07046	6.8
82.07384	0.5
83.04989	1.0
83.08616	2.5
85.02895	5.6
88.38949	0.4
91.03963	2.8
91.05450	6.1
93.07026	6.3
95.04967	3.1
95.08600	3.4
97.02876	5.1
97.06539	0.5
97.10164	2.3
99.04456	0.5
101.02369	1.0
101.07960	0.5
105.07026	5.2
107.04962	0.7
107.08592	3.6
107.09238	0.5
108.45747	0.5
109.10166	0.7
111.08092	0.6
117.07011	2.2
119.08604	3.1
120.12782	0.5
121.10160	0.9
125.09631	1.0
127.03878	1.0
129.07033	0.7
131.08548	1.0
133.10158	2.3
137.09549	0.5
137.12437	0.4
140.77875	0.4
143.08609	0.9
144.06589	0.5
145.10136	0.9
147.07993	0.5
147.11711	1.8
152.62784	0.5
161.13306	0.7
171.11678	2.1
185.04155	0.5
203.05293	0.7
223.13353	1.1
237.74196	0.5
243.08362	4.6
247.12987	1.2
259.07690	0.7
291.19653	1.7
296.20758	0.5
331.18753	2.2
438.01941	0.5
465.20865	14.0
534.62872	0.5
549.26697	5.4
773.40686	100.0
774.40961	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	773.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05498	6.0
57.03430	2.1
61.02926	5.0
63.98486	0.9
67.05499	10.8
67.46986	0.9
69.03426	4.6
69.07057	5.1
71.04977	1.1
73.02891	2.2
75.65266	0.9
79.05466	13.0
81.03411	4.8
81.07026	10.6
82.07898	1.0
83.04938	0.9
85.02905	5.1
86.99245	1.1
91.03932	1.7
91.05450	14.3
93.07015	8.5
95.04963	2.3
95.08591	6.2
97.02885	5.3
99.04427	1.4
99.19501	1.1
105.07011	8.1
107.04947	1.5
107.08600	4.6
109.06553	1.2
109.10156	2.1
117.07008	4.4
119.07339	1.0
119.08592	6.2
121.06493	1.5
121.10105	1.9
127.03938	1.4
133.10120	2.1
143.08560	1.6
145.10144	2.2
147.11687	2.4
156.67125	1.2
161.13176	1.1
171.11690	1.8
173.42667	1.1
184.07396	1.0
188.98698	1.1
207.14024	1.2
243.08524	4.3
294.49442	1.1
331.18881	1.5
465.20877	13.3
549.26746	2.0
773.40753	100.0
774.40839	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	773.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81506	0.5
55.01859	1.0
55.05513	4.3
56.05816	0.5
57.03431	3.4
61.02919	6.9
63.91642	0.3
65.03936	0.6
67.05495	9.1
68.05828	0.6
69.03420	3.9
69.07044	3.4
71.04978	1.1
73.02899	4.0
79.05476	11.8
79.05906	0.7
80.05813	1.1
81.03402	3.9
81.07040	10.3
83.04961	2.1
83.08617	1.9
85.02884	5.2
85.06550	0.4
91.03938	3.3
91.05461	11.9
92.05818	1.0
92.58722	0.4
92.74300	0.5
93.07027	10.2
95.04943	4.0
95.08595	5.6
97.02885	4.7
97.06534	0.8
99.04448	0.7
101.02379	2.4
105.04530	0.5
105.07019	9.1
106.07305	0.6
107.04959	1.8
107.08592	4.3
109.02882	0.8
109.06517	1.9
109.10139	3.2
109.27209	0.4
111.04407	0.4
113.09719	0.4
117.06983	1.9
119.08581	5.6
121.06471	0.7
121.10136	1.8
123.08029	0.7
127.03922	1.7
128.06250	0.7
129.05504	0.5
129.06985	1.9
131.08572	0.7
133.10107	4.6
135.08093	0.6
135.11707	0.5
137.09583	0.5
143.08528	1.4
145.10135	1.9
147.11671	4.4
149.96284	0.4
151.11243	0.6
152.75296	0.4
159.11760	0.5
161.13300	0.8
171.11697	2.7
175.11131	0.6
175.14857	0.5
185.04228	0.9
193.12314	2.1
207.13832	0.7
243.08295	3.7
247.13123	0.8
267.44269	0.5
281.17593	0.6
294.45569	0.5
299.14963	0.9
313.17725	1.0
331.18811	3.2
335.15912	0.5
335.25949	1.6
357.15472	0.6
451.19250	0.6
465.20914	12.1
531.26001	2.1
537.23065	0.8
549.26642	3.3
624.27167	0.5
675.33276	1.8
704.33173	0.6
755.39954	7.1
773.40686	100.0
774.41626	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	772.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.9
55.05506	33.6
57.03177	1.2
57.03431	24.6
57.07064	4.7
59.04981	2.3
61.02911	6.8
65.03924	2.1
67.05498	92.5
68.50385	1.1
69.03416	1.6
69.07057	26.3
71.01333	5.2
71.04980	9.3
73.02903	2.1
79.04996	1.3
79.05478	80.3
81.03405	33.2
81.07041	91.1
81.67339	1.3
83.01322	1.5
83.04972	19.6
83.08615	14.7
85.02886	15.1
85.06537	6.1
91.03902	1.9
91.05468	45.7
93.07028	93.6
95.04947	17.7
95.08591	67.2
95.09202	2.3
95.75179	1.0
97.02875	13.1
97.06525	17.7
97.10146	6.2
99.04438	2.7
99.08085	1.4
103.05442	1.3
105.04436	1.8
105.06371	1.4
105.07025	29.3
107.04944	20.5
107.08580	45.4
109.06497	13.5
109.10145	24.5
111.04439	33.4
111.08070	5.3
117.06988	20.2
119.08569	27.1
121.06502	11.2
121.10123	34.5
123.04355	1.6
123.08029	12.0
123.11692	3.0
125.05968	7.1
125.09627	2.2
129.06976	6.2
130.07770	2.1
131.08549	20.9
133.10130	13.4
135.08025	4.9
135.11667	32.3
137.09576	2.7
143.08597	2.3
145.06419	2.2
145.10109	36.3
147.08014	5.4
147.11661	5.8
149.09616	2.6
149.13243	2.5
153.12708	16.4
155.08531	6.9
157.10124	1.4
159.11655	5.4
161.13193	2.5
163.11157	38.0
171.11690	1.2
173.09569	8.0
173.13229	5.2
175.14807	1.4
181.12215	7.6
187.14806	2.3
191.10683	5.9
209.11603	8.5
223.13254	18.2
223.45970	1.3
227.12697	7.1
229.54544	1.3
241.14305	19.7
243.20984	2.4
261.22162	7.8
265.14258	6.7
283.15353	12.3
315.17963	39.1
317.24396	1.4
335.25754	95.6
433.31119	1.5
451.31781	2.6
469.33255	1.6
525.35852	12.5
543.36768	73.0
544.36719	2.5
575.39337	100.0
576.39551	5.4
610.44824	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	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01616	1.6
55.01867	23.9
55.05507	57.1
57.03172	1.9
57.03428	31.1
57.07058	1.3
59.04978	5.6
59.05264	1.0
61.02914	9.0
65.03923	2.6
67.05492	82.4
69.03415	14.1
69.06717	2.1
69.07056	44.9
71.01321	1.3
71.04966	7.8
73.02898	2.6
77.03866	1.1
79.05476	100.0
81.03401	42.6
81.07040	95.3
83.01321	13.3
83.04965	34.7
83.08604	34.6
85.02893	19.0
85.06527	7.6
91.03909	1.6
91.05460	72.8
93.07023	95.7
95.04947	32.2
95.08588	40.8
97.02873	13.2
97.06518	19.4
97.10153	15.3
97.60664	1.1
99.04416	5.8
99.08044	2.5
99.23769	1.2
105.07012	62.5
105.43670	1.8
107.04951	20.5
107.08579	56.8
107.14455	1.1
109.02860	2.6
109.06492	20.5
109.10140	17.3
111.04424	2.7
111.08062	9.9
115.05429	5.6
116.06227	1.6
117.06988	30.9
119.08566	42.9
121.06487	12.4
121.10119	26.8
123.08019	14.8
123.11655	1.7
124.00359	1.3
125.05948	2.2
125.09586	10.1
127.03880	2.5
128.06204	1.3
129.06995	13.5
130.07771	5.3
131.08543	26.3
133.06453	2.7
133.10118	32.7
135.08017	6.5
135.11662	28.2
137.09625	5.7
139.07536	1.4
142.07745	1.9
143.07494	1.4
143.08557	8.2
145.06418	2.2
145.10109	37.5
147.08014	8.1
147.11671	16.2
149.09575	12.2
149.13179	9.2
151.11165	1.8
155.08470	4.7
157.10123	6.8
159.11673	14.3
161.09563	4.4
161.13234	6.3
163.11157	41.1
165.09053	1.3
169.10138	2.3
171.11658	3.0
173.04446	1.5
173.09584	2.9
173.13239	5.9
175.11186	6.1
177.12775	2.7
181.12193	2.2
183.11661	1.8
185.83640	1.4
189.11255	2.5
191.10693	2.9
193.12265	9.3
195.13800	2.2
197.13251	1.7
209.11696	7.2
211.13264	6.2
223.13226	7.0
227.12729	15.0
249.14839	1.8
255.15807	5.1
257.18964	6.0
259.20337	1.6
267.15851	8.5
269.17453	14.1
273.18509	2.8
275.20038	22.3
283.15344	72.4
284.15750	1.8
285.16840	9.4
291.19531	24.7
311.14911	1.4
314.06729	1.6
333.24442	1.7
349.23639	16.7
365.23294	9.6
367.24506	1.9
396.22424	1.5
408.57034	1.5
409.23245	1.4
459.27234	2.2
463.26959	23.7
477.28397	75.6
539.33258	5.2
543.73407	1.3
557.34674	48.6
575.35474	24.8
621.32330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82100	1.6
55.01858	10.2
55.05507	39.1
57.03432	17.9
57.07068	2.0
59.04985	2.8
61.02916	2.4
67.05498	59.5
69.03411	3.9
69.07060	20.9
71.01353	2.2
71.04987	5.6
73.02879	1.8
79.05479	68.1
81.03416	11.9
81.07043	69.4
83.01300	2.0
83.04961	9.4
83.08604	21.4
85.02872	7.7
85.06491	1.5
85.43578	1.6
91.05467	100.0
93.07030	80.2
93.07631	2.0
95.04948	16.4
95.07993	2.2
95.08587	39.2
97.02865	9.2
97.06501	10.8
97.10158	5.9
99.00809	23.4
99.04472	1.7
99.08076	2.1
103.05427	2.7
105.04496	2.0
105.07020	93.0
107.04216	1.5
107.04927	12.4
107.08580	44.0
109.02882	13.5
109.06529	12.2
109.10153	14.3
111.08044	7.7
111.33653	1.9
113.09718	1.7
115.03873	1.7
117.07005	23.8
119.08566	64.1
121.06477	8.4
121.10118	23.0
123.04428	2.1
123.08067	7.0
123.09297	1.8
123.11662	2.7
125.09584	2.7
128.06216	3.6
129.07013	11.5
131.08557	30.8
133.06522	2.4
133.10110	82.6
135.08061	2.8
135.11655	20.6
137.05891	1.7
137.09604	2.4
139.07506	1.9
143.08559	10.8
145.06473	2.4
145.10107	23.8
147.11667	33.9
148.34814	1.6
149.09641	3.3
149.13272	6.4
151.11218	11.9
157.10092	10.7
159.11662	17.3
161.08446	1.8
161.09590	17.8
161.13214	18.7
163.11160	12.7
169.10045	2.9
169.70390	1.6
171.08032	3.1
171.11638	10.4
173.13213	10.0
175.14842	6.2
179.10634	7.4
185.13237	8.9
189.09045	3.6
199.14816	2.4
225.11267	12.4
231.20984	2.0
241.19498	18.2
255.85971	1.7
259.17938	2.9
259.20554	59.9
269.17413	3.0
275.20123	7.2
283.15448	14.0
299.14853	52.2
333.24158	39.6
349.23526	2.9
381.35529	1.5
447.29013	3.4
463.26974	2.8
465.29953	6.1
477.28189	20.3
483.30759	7.6
529.35364	3.7
539.33630	19.9
557.34747	43.5
575.35669	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.9
55.05505	32.3
57.03411	3.0
59.70888	2.5
67.05495	33.8
69.03405	3.2
69.07046	6.9
73.13016	2.5
79.05483	32.2
80.92556	2.3
81.03404	15.8
81.07036	32.9
83.04959	13.9
83.08588	12.6
85.02893	4.7
88.55850	2.7
91.05462	18.1
91.35735	2.4
92.09340	3.2
93.07020	28.2
95.04936	15.2
95.08582	12.1
97.02824	3.6
97.06480	4.6
97.10152	14.9
99.08051	3.1
105.07020	26.1
107.04927	13.6
107.08575	26.2
109.06507	4.2
109.10142	13.3
111.04440	13.1
111.08066	5.7
117.06989	10.3
119.08544	17.9
121.06493	11.5
121.10122	15.6
123.07986	4.8
125.09608	15.7
129.06908	4.5
130.31673	2.6
131.08551	20.0
133.06450	4.5
133.10095	6.6
135.08032	4.9
135.11644	5.5
143.08569	5.4
145.06528	4.1
145.10081	15.0
147.08014	4.2
149.09650	5.0
153.12717	4.6
155.08490	5.8
157.10114	6.9
159.08109	4.3
159.11678	6.1
161.09592	11.0
163.11165	12.6
163.44138	2.7
165.08995	4.2
169.10109	3.9
171.08000	4.4
171.11690	3.4
173.09595	6.2
181.12201	4.7
201.12607	3.9
227.12605	10.1
273.18356	6.4
291.19473	17.7
293.40829	3.0
403.81403	2.8
435.31372	2.9
447.29001	3.8
465.30081	6.0
483.30740	12.0
539.33417	31.1
557.34711	100.0
575.35461	27.9
702.63214	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	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82121	2.6
55.01859	11.9
55.05505	32.6
57.03425	3.7
61.02891	4.6
64.10450	2.4
65.29727	2.3
67.05500	26.3
69.03416	3.4
69.07052	15.7
69.73216	2.6
78.86629	3.0
79.05470	29.7
81.03419	7.0
81.07043	39.8
83.04951	16.0
83.08608	13.1
91.05450	30.4
93.07017	26.3
94.19898	2.6
95.04953	16.8
95.08588	17.2
97.10146	18.9
105.07002	20.4
107.04951	5.8
107.08569	17.9
109.06521	6.1
109.10155	14.6
111.04411	12.1
111.08071	5.0
115.05455	2.6
117.06999	5.7
119.08576	17.1
121.06503	5.0
121.10138	12.3
121.98067	2.8
123.08044	4.0
125.09607	12.5
129.06952	5.8
131.08551	14.4
133.10117	5.3
135.08046	10.5
135.11673	12.6
143.08592	4.4
145.06444	4.6
145.10132	21.4
147.08054	5.3
155.08563	5.1
157.10085	5.3
161.09595	7.0
163.11160	12.8
169.10107	3.3
173.09688	3.7
175.11093	3.5
185.13313	3.7
189.11217	3.4
191.10670	3.0
211.11240	3.0
228.82715	2.7
273.18546	4.6
275.20023	4.0
291.19525	11.7
315.19647	2.9
465.29929	11.2
483.30774	15.0
532.79242	3.0
539.33521	40.2
557.34631	100.0
575.35754	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.1
55.05509	28.7
56.88359	1.9
57.03431	8.4
61.02916	7.7
67.05499	46.8
69.03426	2.7
69.07051	19.4
70.49876	1.7
71.04986	2.6
79.05479	46.4
81.03407	8.1
81.07050	58.8
83.01369	1.8
83.04969	12.0
83.08616	15.0
85.02871	6.5
85.06534	3.5
91.05465	34.5
93.07034	34.0
95.04956	23.8
95.08594	19.5
97.06511	2.4
97.10149	13.0
105.07021	32.9
106.07379	2.0
107.04924	14.1
107.08570	28.0
109.06507	16.9
109.10166	16.9
111.04446	4.1
111.08092	2.7
117.07021	18.8
119.08566	24.6
121.06499	11.4
121.10137	9.6
123.04451	2.7
123.08046	7.3
123.11666	2.7
125.09604	15.7
129.07008	11.4
131.04938	3.1
131.08542	22.7
133.06470	4.0
133.10118	19.8
135.08034	8.5
135.11697	7.2
141.06979	2.7
143.08585	12.1
145.06480	9.3
145.10101	21.5
147.08075	4.7
147.11682	7.9
149.09616	4.0
151.11206	7.5
155.08568	2.7
157.10136	7.4
159.08043	4.4
159.11700	3.8
161.09625	8.3
163.11172	9.3
169.10165	7.0
171.08115	4.2
171.10336	2.0
171.11746	6.8
173.09636	8.2
177.09103	2.2
183.11697	3.1
185.09576	2.3
185.13232	3.5
189.11194	2.5
189.12804	2.4
195.11713	2.5
197.13275	3.0
199.11147	3.4
201.12717	3.5
205.12338	2.4
207.13959	2.7
211.11322	2.2
211.14969	2.3
227.12651	3.5
260.31192	2.3
275.20154	4.2
283.15366	3.2
287.20078	2.6
315.19440	2.4
355.22687	7.8
356.86462	2.1
357.24292	2.7
366.97202	2.3
367.22620	3.3
370.37277	2.2
385.23691	12.5
430.61615	2.3
447.27399	55.4
455.32657	2.2
459.27420	25.6
465.30042	4.2
477.28516	14.7
483.30978	10.0
501.31586	2.8
539.33575	23.0
557.34637	100.0
575.36060	25.9
651.11047	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.6
55.05267	3.0
55.05507	51.7
57.03421	25.8
57.07046	2.7
59.04985	4.5
61.02907	11.4
65.03931	3.5
67.05140	3.5
67.05492	81.9
69.03419	9.2
69.07050	31.3
71.01366	2.0
71.04968	10.5
73.02906	3.1
79.05480	98.0
80.05840	2.7
81.03403	23.1
81.07035	85.2
82.07402	2.0
83.01321	15.5
83.04967	29.2
83.08598	20.4
85.02883	22.5
91.04881	2.9
91.05461	89.3
92.08718	1.9
93.07023	100.0
93.26078	1.8
95.04947	25.6
95.08579	41.1
97.02857	16.4
97.06510	11.9
97.10142	6.8
99.04434	3.9
105.07013	81.0
107.04966	14.5
107.08581	50.5
109.06507	15.7
109.10146	16.3
111.04440	3.2
111.08073	4.7
115.05452	2.5
117.06990	31.4
119.08564	60.8
121.06456	10.0
121.10130	26.3
123.08028	16.0
125.09563	3.3
127.03889	2.6
128.06250	2.9
129.06952	16.3
130.07793	2.7
131.08539	30.9
133.06546	1.9
133.10103	39.0
135.08052	3.8
135.11714	23.8
137.09595	3.5
143.08514	9.8
145.10095	34.7
147.07990	4.0
147.11679	27.5
149.09612	10.7
149.13202	4.1
153.12788	3.5
155.08524	3.1
157.03716	2.6
157.10088	11.3
159.11664	18.8
161.13222	11.1
163.11156	34.9
166.43031	2.2
169.10135	2.6
171.11684	12.5
173.09698	3.2
173.13203	9.5
177.12726	3.2
183.11600	3.2
185.13298	8.5
195.13754	2.5
209.11742	3.9
227.12738	10.4
231.21214	2.5
241.19533	4.6
257.18930	3.5
259.20486	28.2
269.17355	4.8
275.19971	10.8
283.15366	56.5
293.20969	10.1
315.23227	3.6
333.24075	16.6
349.23529	9.4
449.31088	2.6
477.28271	40.1
541.35168	35.1
559.35919	4.8
575.35339	2.5
771.39172	3.2
772.38843	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05504	19.5
56.56404	0.5
57.03429	8.4
57.07066	4.2
61.02911	20.3
65.03929	1.0
67.05491	33.5
69.03415	10.7
69.07053	15.2
71.01328	1.4
71.04967	3.9
73.02906	9.6
73.93940	0.6
77.03916	0.6
79.05472	22.4
81.03408	6.4
81.07037	31.7
83.04965	2.5
83.08605	9.1
83.61520	0.5
85.02888	15.5
85.06510	1.4
91.03934	6.3
91.04883	0.9
91.05455	24.1
93.07024	27.0
95.04955	3.0
95.08588	24.8
97.02859	13.7
97.06530	3.1
97.10130	4.2
97.34132	0.6
99.04433	1.3
101.02357	2.9
105.07012	22.8
107.04952	0.9
107.08580	13.9
109.02799	1.8
109.06501	1.3
109.10132	10.0
111.08000	0.7
115.05430	0.9
117.07001	13.9
119.08559	22.7
121.06432	0.6
121.10129	8.1
123.08027	1.0
123.11685	3.3
125.09598	1.2
127.03941	1.1
128.06203	3.4
129.06987	15.8
130.07811	0.8
131.08543	21.7
133.10104	13.1
135.08066	0.6
135.11687	5.5
135.12570	0.7
137.13246	0.7
138.57330	0.5
141.06972	7.1
142.07794	3.8
143.08534	19.7
144.09315	0.7
145.10100	17.7
147.11685	7.6
149.13225	2.9
153.07005	1.2
154.07771	0.9
155.08534	15.8
156.09334	2.8
157.10104	20.3
159.11658	12.1
161.13228	3.7
163.14775	1.4
166.07790	1.1
167.08542	9.0
168.09291	2.6
169.10088	19.9
171.07901	0.6
171.11646	16.0
173.13223	7.7
175.14752	1.4
179.08577	4.5
180.09328	1.0
181.10074	12.5
182.10744	2.1
183.11650	19.4
183.13173	1.0
185.13222	10.1
187.14799	4.5
189.16408	1.1
191.08627	0.7
193.10182	3.0
194.10941	1.2
195.11664	14.5
197.13223	16.1
199.08275	0.7
199.13213	0.8
199.14777	6.3
201.16356	2.3
205.10143	0.9
207.11682	5.4
208.12599	1.0
209.13228	11.7
210.14131	0.7
211.14847	8.1
213.16373	5.0
219.11670	2.9
221.13255	5.7
223.14848	7.0
224.15616	0.6
225.16338	6.1
227.17929	3.4
233.13246	1.5
235.14841	3.2
237.16385	6.0
239.17911	4.0
241.19508	1.2
247.35258	0.6
249.16405	1.5
251.17975	2.8
253.19510	2.9
263.18039	0.8
265.19461	2.5
277.19431	1.0
279.21042	0.8
281.19086	0.7
281.22412	1.0
289.19025	0.7
291.20966	0.9
293.22458	0.9
295.20428	0.9
307.20514	0.7
311.23596	0.8
321.21988	0.9
323.23578	1.1
325.21594	0.8
335.23618	0.6
337.25381	1.1
349.25146	0.8
351.26782	0.7
363.26910	1.1
365.28351	1.0
391.29788	1.2
435.31903	0.9
447.32034	0.8
471.30548	0.7
515.38318	0.7
517.40289	8.0
518.69775	0.7
535.41162	3.8
539.37335	1.2
591.44257	8.6
607.42365	1.3
609.45026	100.0
610.45068	5.3
717.46075	0.9
735.47845	1.1
771.50342	15.9
772.50372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81855	1.6
55.05500	23.7
57.03423	23.7
57.07066	58.0
58.06586	3.3
58.23569	1.7
60.44762	1.6
61.02903	7.4
61.67158	1.5
65.03917	2.1
67.05142	2.8
67.05492	68.1
69.03426	1.6
69.07048	21.8
71.04961	2.6
71.08243	2.0
71.08612	32.9
74.93311	1.7
78.06171	1.8
79.05471	39.7
81.07034	71.6
83.08592	10.2
85.02880	7.5
85.10171	16.8
86.31132	1.9
91.03899	2.0
91.05439	19.7
93.07018	48.6
95.04927	4.2
95.08002	3.3
95.08584	66.1
97.02859	1.8
97.06496	2.3
97.10116	6.8
105.07003	13.4
107.08570	23.4
109.10139	29.8
117.06962	7.7
119.08563	9.3
121.10127	21.1
123.08037	1.8
123.11652	11.7
131.08511	10.3
133.10098	8.1
134.61728	2.0
135.11662	11.5
137.13231	3.0
145.10085	4.4
146.34377	1.7
147.11671	7.0
149.13243	8.2
159.11598	4.1
163.14793	4.0
173.06134	1.9
173.13231	2.8
195.00233	2.4
236.14867	7.8
237.15321	3.0
239.23528	2.1
243.21036	8.5
258.20132	2.0
261.22086	27.5
313.27295	100.0
317.24451	3.4
335.25726	75.4
573.48712	40.0
591.49371	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	771.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43881	1.3
54.59600	1.4
55.05494	5.9
57.03428	7.2
61.02902	9.2
67.05495	17.2
69.03401	3.5
69.07053	3.4
73.02879	5.7
75.53039	1.3
77.97428	1.5
79.05484	13.6
81.03397	2.5
81.07032	12.8
83.08586	1.8
84.77477	1.4
85.02885	8.2
91.03934	2.5
91.05450	11.4
93.07021	10.2
94.43690	1.3
95.08582	9.9
97.02863	8.3
99.04451	1.9
99.95869	1.3
101.02373	2.9
105.07009	7.7
107.08562	7.3
109.06531	1.8
109.10140	2.9
117.07024	2.3
119.08565	2.7
121.10152	2.6
127.03841	1.9
129.06982	3.0
131.08585	7.3
133.10086	2.3
143.08548	2.7
145.10133	6.5
155.06981	1.6
155.08463	2.6
157.10130	3.0
169.10091	2.9
183.11612	1.9
202.78844	1.6
243.08345	3.2
315.10446	6.3
335.25790	2.1
367.13654	1.8
381.62445	1.6
493.20139	5.9
519.28979	8.7
609.45435	12.0
771.42297	100.0
772.43054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05506	20.8
57.03426	8.1
57.07054	3.2
61.02917	21.3
63.29255	0.5
64.88388	0.5
65.03899	0.9
67.05493	36.7
69.03410	11.0
69.07054	13.8
70.58586	0.5
71.01319	0.8
71.04967	4.0
73.02901	9.1
79.05475	25.7
81.03397	4.5
81.07040	29.4
83.04971	2.4
83.08603	7.2
85.02888	17.4
85.06514	2.6
91.03930	5.3
91.05460	21.5
93.07027	25.3
95.04942	3.7
95.08588	26.9
97.02876	14.7
97.06509	2.4
97.10151	3.9
99.04420	1.2
101.02356	3.8
105.04536	0.7
105.06364	1.1
105.07018	24.2
107.04916	1.2
107.08575	17.2
107.69471	0.5
109.02818	1.0
109.06544	2.1
109.10154	11.3
111.08085	1.3
115.05448	1.4
117.07005	14.7
118.74975	0.5
119.08559	22.2
121.06451	0.7
121.10136	9.8
123.08055	2.2
123.11663	1.5
127.03885	2.7
128.06197	3.2
129.06984	15.0
131.08553	20.0
132.23074	0.5
133.10106	12.4
135.08096	1.3
135.11702	5.9
137.13153	0.7
139.11208	0.8
141.06964	6.9
142.07764	4.9
143.08549	19.6
143.98006	0.6
145.06487	0.8
145.10114	19.6
147.11668	7.5
149.13249	3.3
153.07004	1.1
154.07730	1.2
155.08539	18.2
156.09291	2.5
157.10107	21.0
158.10867	1.0
159.11664	13.8
161.13182	4.2
163.11119	0.9
165.06993	1.1
166.07675	1.1
167.08522	8.1
168.09283	2.4
169.10091	22.0
170.10934	1.4
171.10297	1.1
171.11662	17.9
173.13240	7.7
175.14799	2.8
179.08542	3.5
180.09322	1.2
181.10100	12.9
182.10829	1.4
183.10204	0.9
183.11656	19.2
184.12268	0.7
185.13220	12.2
187.14809	3.7
189.16362	1.2
192.09312	0.7
193.10103	4.0
194.10864	0.9
195.11661	12.4
196.12372	1.3
197.13225	13.5
198.13943	1.0
199.14825	7.5
201.16368	2.5
203.17905	0.7
205.10097	1.2
207.11610	4.8
209.13199	9.5
211.14815	9.2
213.12822	0.6
213.16347	5.3
219.11790	2.0
221.13210	3.7
223.14818	7.4
225.16385	5.8
227.18008	1.5
233.13344	1.4
235.14749	3.0
237.16327	4.4
239.17889	2.5
241.19589	0.9
245.19234	0.8
249.16322	2.3
251.17918	4.0
253.19583	1.0
259.20560	0.7
263.17841	0.8
265.19513	1.2
267.21121	0.9
277.19434	1.3
279.20923	0.6
287.19934	0.7
295.20682	0.8
299.19913	0.7
307.24155	0.7
313.25418	0.9
321.21982	0.7
323.23605	1.0
334.25897	0.6
337.25031	0.8
339.26617	0.8
349.25320	0.9
351.26880	1.1
363.26587	1.1
501.35196	0.8
517.40314	6.4
535.40991	3.3
539.36884	2.4
591.43738	7.3
607.43073	1.1
609.45062	100.0
610.45001	2.9
611.46484	1.0
651.45654	0.7
717.46350	0.8
735.47833	0.9
753.48566	1.3
771.50446	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.9
55.05263	2.6
55.05506	46.6
57.03224	1.2
57.03429	20.5
57.07075	1.4
59.04973	2.2
61.02902	7.9
65.03918	3.4
67.05492	89.4
69.03407	6.3
69.07053	22.5
71.04965	3.0
71.08636	1.5
78.14713	1.6
79.05476	96.6
79.52568	1.6
81.03399	16.2
81.07039	92.6
81.07526	3.0
83.04967	12.9
83.08604	17.2
85.02871	8.3
85.06538	3.3
89.30096	1.4
91.05461	100.0
93.07024	77.5
95.04952	24.0
95.08584	44.3
97.02853	3.1
97.06503	8.2
97.10148	10.4
99.08077	2.8
103.05441	3.0
105.04539	2.0
105.07013	79.8
107.04935	10.2
107.08578	36.9
109.06494	10.6
109.10138	24.4
111.04424	1.8
111.08039	1.6
115.05405	3.2
117.06991	33.2
119.08561	63.2
121.06476	9.7
121.10133	18.9
123.08009	7.9
123.11694	2.6
125.09617	6.4
128.06206	6.7
129.06999	23.0
130.07739	2.2
131.08530	36.0
133.06415	1.9
133.10112	31.3
135.08017	8.3
135.11674	17.6
141.07001	6.2
142.07744	2.9
143.08539	22.3
145.06454	2.5
145.10110	27.3
147.08029	3.3
147.11665	38.5
149.09583	3.9
149.13219	6.6
151.11111	1.9
154.07843	1.7
155.08540	11.9
157.10130	16.9
159.11627	18.4
161.09634	1.9
161.13216	10.2
163.11188	2.8
167.08536	3.1
169.10117	7.6
171.07977	2.0
171.11647	16.2
173.09459	2.3
173.11789	2.4
173.13190	10.3
175.11113	1.9
175.14780	2.0
181.10033	3.6
183.11639	6.7
184.07385	1.7
185.13245	8.6
193.10097	2.4
195.11627	3.5
197.13280	3.7
199.14790	4.0
209.13153	5.9
223.13260	19.4
227.12737	2.7
229.14279	9.0
241.19554	12.7
257.19000	3.0
259.20532	29.1
273.18350	2.0
275.20294	5.2
281.17450	9.2
295.20490	1.6
297.16864	13.2
309.22028	6.7
315.23196	2.0
327.22903	3.4
333.24271	16.0
435.32590	2.3
443.71085	1.8
445.31198	2.7
463.31906	3.9
481.33228	2.5
487.33401	2.0
527.37097	3.2
535.81616	2.0
537.35632	9.4
537.47742	1.8
555.36694	45.0
556.36755	1.8
573.37500	16.1
735.78760	1.7
739.70288	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	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05265	1.3
55.05506	27.5
57.03222	0.8
57.03430	13.1
57.07055	1.5
61.02907	1.5
65.03921	1.9
67.05492	74.1
69.03416	5.3
69.07055	30.2
71.04958	4.0
73.06528	1.2
79.05476	100.0
81.03394	13.9
81.07039	76.0
83.04963	21.2
83.08605	14.3
85.02884	4.8
85.06528	2.1
85.80579	0.8
91.05463	77.3
92.63695	0.8
93.07021	84.0
95.01321	1.0
95.04951	27.7
95.08585	41.7
97.02869	3.3
97.06511	16.2
97.10150	6.2
99.08076	1.7
103.05473	1.6
105.04498	2.1
105.07011	55.1
107.04937	14.9
107.08582	35.5
109.02884	1.6
109.06501	9.0
109.10155	9.7
111.08054	3.9
115.05450	1.2
117.06990	18.4
119.08563	35.0
121.06480	5.9
121.10110	11.2
123.08060	5.8
123.11676	1.2
125.09618	4.6
127.03921	1.1
128.06195	1.5
129.06970	18.0
130.07814	1.5
131.08542	15.2
133.06448	1.2
133.10104	19.7
135.08041	3.7
135.11671	10.6
137.09647	1.5
139.07489	1.1
142.07751	1.1
143.08522	9.3
145.10101	18.7
147.08006	1.6
147.11661	33.3
149.09612	8.9
149.13252	6.3
155.08557	1.2
157.10172	1.5
159.11636	8.2
161.09604	3.5
161.13196	11.0
163.11118	7.6
169.10036	1.6
171.11644	18.0
173.13127	2.6
175.11139	1.1
177.12697	3.4
179.14304	1.4
183.21681	0.8
185.13261	1.0
189.12756	5.7
207.13768	14.0
227.12746	5.4
239.17802	1.7
247.20514	0.9
255.15720	1.7
257.18912	3.4
269.17374	5.5
275.19958	13.4
281.17401	39.7
284.63885	1.0
331.22574	1.5
349.23572	12.1
392.97879	0.9
410.43887	1.1
419.43945	1.0
435.27374	1.2
461.29092	16.0
475.30441	64.7
476.30670	2.0
495.42307	1.0
515.33563	1.6
537.35968	1.4
555.36713	31.9
556.36841	1.6
573.37598	6.0
619.34253	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	770.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.7
55.05507	33.4
57.03430	14.8
57.07082	1.1
61.02908	2.3
65.03928	4.4
65.04790	0.8
67.05495	91.6
69.03419	5.1
69.06707	1.6
69.07059	26.7
70.76510	0.8
71.04979	5.9
73.02895	0.9
73.06546	1.9
79.05476	99.5
79.50836	0.9
81.03397	15.5
81.07040	93.4
83.04968	24.5
83.08602	12.9
85.02900	1.7
85.06525	5.9
91.05464	81.3
93.07027	94.4
94.07361	1.2
95.04951	32.3
95.08584	42.4
97.02876	3.9
97.06509	15.7
97.10148	7.6
99.08087	2.2
103.05408	1.0
105.04526	1.7
105.07013	59.5
107.04944	14.1
107.08581	38.3
109.02905	1.5
109.06486	8.6
109.10139	12.0
111.08081	3.6
115.05440	1.6
115.11087	0.9
117.07001	20.1
119.08566	39.9
121.06485	4.2
121.10133	16.4
123.08048	6.3
123.11705	2.1
125.09628	1.5
127.03907	1.3
127.07533	1.0
128.06186	1.4
129.06987	21.2
130.07767	1.5
131.08549	16.0
133.06516	2.0
133.10115	21.9
135.08063	2.3
135.11711	12.8
137.09581	1.3
141.06958	1.2
143.08548	11.4
145.10120	22.4
147.08054	3.9
147.11667	37.7
149.09613	8.5
149.13278	9.0
151.11179	1.7
155.08571	1.1
156.09349	1.4
157.10118	2.2
159.11659	9.7
161.09575	4.2
161.13243	9.9
163.11122	7.1
165.12668	1.1
169.10150	1.6
171.06036	0.9
171.11656	23.2
173.13242	1.9
177.12749	3.5
179.14395	1.0
189.12717	8.9
195.13727	1.7
197.13295	1.1
207.13753	16.1
227.12682	1.4
247.20488	1.2
255.15923	4.7
257.18964	4.3
269.17413	13.8
275.20026	12.4
281.17438	45.8
281.20520	1.9
349.23697	5.2
367.24390	1.1
435.27740	1.6
451.26917	1.2
457.29370	1.8
461.28958	20.1
475.30478	100.0
476.30722	1.4
537.35657	2.0
555.36841	23.3
573.38049	6.5
619.34644	3.8
711.04578	1.0
712.25848	1.1
717.41443	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	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77314	1.3
55.01873	8.6
55.05239	1.4
55.05504	38.2
57.03428	14.3
64.33674	1.3
65.03923	2.6
67.05494	78.4
69.03419	8.8
69.07056	28.6
71.04974	3.1
72.86331	1.5
79.05476	100.0
81.03396	15.5
81.07043	83.6
83.04969	24.7
83.08602	14.2
85.02899	6.7
85.06519	6.3
91.05469	79.7
93.07026	95.7
95.04951	32.2
95.08586	37.7
97.02858	2.0
97.06506	11.1
97.10130	6.2
105.04475	2.1
105.07014	63.2
107.04944	9.0
107.08574	40.1
109.06533	7.5
109.10144	11.1
115.05430	2.6
117.07001	26.8
117.33506	1.4
119.08569	41.7
121.06509	6.3
121.10121	16.7
123.08058	10.7
123.11683	3.2
125.09624	2.0
128.06218	5.3
129.06973	19.3
131.08546	25.3
133.10083	23.6
135.08034	6.1
135.11659	10.0
137.09593	2.4
141.07066	2.0
142.07721	1.8
143.08545	13.8
145.10115	22.0
147.08070	2.6
147.11674	35.5
149.09633	6.7
149.13274	6.1
151.11127	1.7
155.08533	2.1
157.10129	3.0
159.11717	10.2
161.09581	3.2
161.13266	8.5
163.11160	6.3
165.08893	1.4
169.10120	2.0
171.11697	21.6
173.13213	2.2
175.11203	1.6
177.12810	1.6
189.11217	1.8
189.12772	8.8
207.13832	13.1
223.13156	1.5
227.12831	2.2
239.17776	2.0
253.14355	2.6
255.15756	1.9
257.18970	6.2
269.17429	12.5
275.20013	21.4
281.17416	41.6
283.15338	2.8
291.19476	6.0
293.21277	1.7
331.22678	1.7
337.80704	1.6
349.23730	8.7
365.23193	2.8
461.28882	27.5
475.30499	65.1
515.33575	2.6
555.36810	30.9
573.34454	9.5
611.66705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93776	0.6
54.81361	0.7
55.01860	7.9
55.05507	28.4
57.03430	12.8
57.07064	1.6
61.02916	1.2
65.03924	3.4
67.05493	72.3
69.03417	6.3
69.06709	1.3
69.07058	23.4
71.01347	0.8
71.04980	5.9
71.08636	1.1
73.06550	1.5
79.05477	100.0
80.05778	1.2
81.03407	12.5
81.07040	69.8
82.07420	0.8
83.04969	17.6
83.08607	12.2
85.02895	3.4
85.06546	3.2
87.04455	0.8
91.05464	92.0
92.05794	1.3
93.07027	84.0
94.07326	0.8
95.04943	28.3
95.08585	41.7
97.02875	3.8
97.06506	8.4
97.10161	4.2
99.08078	1.8
103.05476	1.7
105.04530	0.8
105.07017	70.1
107.04949	10.2
107.08582	31.9
109.02893	0.9
109.06506	7.7
109.10147	10.0
109.36555	0.8
111.08073	3.0
115.05442	1.5
117.07005	20.9
119.08563	47.1
121.06493	4.2
121.10125	16.6
123.08052	5.1
123.11644	1.3
125.09640	1.1
127.03883	1.0
127.07586	1.0
128.06232	3.7
129.06978	19.0
131.08546	20.3
133.06477	1.0
133.10115	29.6
135.08032	1.9
135.11665	7.7
137.09604	1.4
141.06966	0.9
142.07785	1.6
143.08539	15.5
145.10117	18.3
147.08060	3.5
147.11668	33.5
149.09642	5.4
149.13202	7.8
151.07530	0.9
155.08551	0.9
157.10130	4.4
159.11668	10.9
161.09560	2.7
161.13234	15.4
163.11191	3.9
163.14784	1.3
169.10081	1.8
171.11665	21.7
173.13254	4.7
175.14798	4.3
177.12787	1.8
181.10205	1.0
183.11642	1.6
185.13258	4.9
187.14838	0.9
189.11282	0.8
189.12714	5.4
195.11592	1.0
195.13802	1.2
197.13225	1.5
199.14792	1.2
207.13768	13.3
239.09799	0.8
239.69856	0.8
241.19547	6.5
257.19016	3.5
259.20563	14.1
267.25348	0.8
269.17462	6.3
275.20068	4.6
279.15906	3.9
281.17416	27.5
293.18030	0.8
293.21115	4.7
331.23022	1.0
333.24194	9.9
349.23553	4.7
475.30508	29.5
483.34775	1.0
539.37244	19.9
540.36945	0.8
555.36566	6.6
557.38330	6.8
573.37311	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	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.7
55.05512	45.3
57.03424	13.0
63.21943	1.8
66.31454	2.1
67.05497	59.1
69.03425	4.6
69.07053	29.1
72.66208	1.9
78.04871	2.4
79.05480	100.0
81.03416	9.8
81.07043	60.9
82.90050	2.1
83.04972	16.8
83.08614	21.7
84.06915	2.3
85.02888	2.4
85.06564	2.3
91.05471	75.7
93.07024	88.1
95.04944	20.7
95.08594	33.2
97.02906	2.6
97.06518	13.7
97.10159	26.8
103.34765	2.1
105.07015	59.5
107.04953	11.6
107.08590	60.5
109.06522	9.4
109.10154	18.3
111.08031	3.2
117.07001	21.9
119.08586	35.7
121.06516	3.7
121.10110	4.9
123.08075	5.0
125.09626	22.1
129.07031	15.5
131.08585	12.4
133.10130	25.9
135.08104	4.3
135.11662	5.3
143.08548	10.7
145.10115	28.2
147.11691	31.8
149.09630	16.5
159.11711	10.5
161.09608	2.9
161.13225	10.1
163.11153	5.1
171.11644	21.6
173.13203	2.8
186.84769	2.3
189.11224	13.3
207.13741	17.3
227.12744	41.4
257.19031	4.1
275.20035	33.5
281.17438	35.6
283.15076	2.9
331.22510	3.0
349.23718	24.5
402.55472	2.6
451.26953	16.1
492.69238	2.9
537.35840	4.1
555.36792	96.5
556.36591	3.5
573.34070	5.1
595.31207	4.0
771.39362	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	770.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14481	1.0
55.01865	17.2
55.05507	44.6
56.26595	1.1
57.03423	21.2
57.07069	1.5
59.04989	2.6
61.02905	6.6
65.03912	1.8
66.54752	1.0
67.05494	47.6
69.03413	15.1
69.06710	1.8
69.07056	32.4
71.01360	1.4
71.04976	5.9
73.02907	1.6
79.05474	52.5
80.05786	1.3
81.03397	16.1
81.07040	43.1
83.01321	8.4
83.04974	17.3
83.08604	20.2
85.02869	5.6
85.06524	1.6
86.09663	1.7
91.05459	40.1
92.63886	1.2
93.07022	46.7
95.04943	20.1
95.08588	23.8
97.02872	15.1
97.06499	7.5
97.10162	15.6
99.04435	1.5
105.03355	1.5
105.07018	31.3
107.04961	17.5
107.08573	28.5
109.02871	1.4
109.06496	12.0
109.09498	1.3
109.10133	11.7
111.04415	1.6
111.08043	4.9
111.23315	1.3
117.07008	19.6
117.23142	1.2
119.08553	29.6
121.06495	7.3
121.10126	10.9
123.08042	9.3
123.11679	1.5
125.09604	10.1
127.03880	1.5
128.06133	1.5
128.32767	1.5
129.06998	9.5
131.08560	16.1
133.06474	2.1
133.10112	13.8
134.07185	1.6
135.08044	7.1
135.11688	12.2
137.09590	2.6
143.08559	9.9
145.06477	1.5
145.10112	19.9
147.08035	8.0
147.11655	9.4
149.09613	2.3
155.08569	5.1
157.10097	6.4
159.11639	2.7
161.09564	2.7
161.13228	1.7
163.11151	19.7
167.08455	1.5
169.10170	2.2
171.07925	1.3
171.11630	3.1
173.09610	2.5
175.11229	2.0
183.11583	2.2
185.13226	2.1
189.11223	2.3
189.12773	1.5
191.10730	1.9
193.12299	1.4
193.72133	1.3
195.11676	2.4
209.11691	1.5
221.13486	1.5
223.13196	20.3
226.44510	1.3
227.12703	6.1
249.14780	2.9
260.05038	1.4
273.18469	8.9
275.20071	2.5
281.17435	7.3
283.15335	51.3
291.19479	100.0
320.77151	1.3
347.22015	1.8
365.23178	31.4
461.29129	2.0
475.30316	5.4
505.60794	1.6
529.06702	1.4
555.35999	7.7
573.34070	79.8
585.30475	1.4
588.63373	1.7
607.43207	3.2
608.43549	5.0
651.28076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05469	1.2
55.47182	0.2
56.04990	0.4
57.03428	5.1
57.03697	0.4
57.07067	5.1
58.06589	33.3
59.07368	11.6
60.08150	10.2
64.33450	0.3
67.05486	3.2
69.03368	0.3
69.07013	1.6
71.08618	3.2
71.90686	0.3
73.02877	0.6
75.04465	2.3
79.05428	1.6
81.07020	3.4
83.04964	0.4
83.08556	0.6
84.08096	1.4
85.02895	2.7
85.10133	1.6
87.04449	4.4
91.05419	1.7
92.64493	0.3
93.05455	0.3
93.06989	1.8
95.04969	0.4
95.08571	2.9
97.10152	0.3
99.08027	0.5
100.11223	0.4
100.29704	0.3
102.05475	1.7
103.03902	0.6
105.05450	1.2
105.06985	1.9
107.08534	0.5
109.10138	0.5
110.02872	0.3
111.90220	0.3
113.05961	0.5
117.06992	0.3
119.08503	0.5
121.10121	0.3
131.06978	1.5
133.10080	0.5
135.11644	0.4
144.10175	14.1
151.80568	0.3
156.46696	0.4
162.11197	5.1
176.42108	0.3
200.12852	0.4
218.13904	0.7
221.71295	0.3
236.14879	100.0
237.15230	2.1
367.80768	0.3
382.91763	0.3
412.26669	0.5
412.37756	1.2
430.28000	1.6
456.36795	7.9
474.37863	14.2
494.34656	1.4
512.35718	2.1
549.78021	0.4
654.49408	0.3
664.85712	0.4
668.50940	18.0
668.62518	0.6
732.57605	7.8
750.58582	24.2
751.59033	1.2
767.57751	1.4
768.59631	28.2
769.59692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67900	3.0
55.01870	6.0
55.05507	29.9
57.03429	26.2
57.07059	18.8
61.02913	12.4
67.05499	76.4
69.03416	4.3
69.07061	23.1
71.04972	4.2
71.08608	6.6
72.63506	2.3
79.05055	3.9
79.05483	74.5
81.03405	63.1
81.07044	76.4
83.04970	21.3
83.08601	23.3
85.02889	29.3
91.05470	100.0
93.07030	49.8
95.04956	28.1
95.08582	40.9
97.02871	3.6
97.05904	2.9
97.06511	14.3
97.10157	4.1
105.07017	73.1
107.04913	5.2
107.08579	23.2
109.06438	4.4
109.10154	10.8
111.08041	4.7
117.06997	23.0
119.08560	49.5
121.10146	26.6
123.08055	4.9
128.06163	4.8
129.05516	3.2
129.07008	21.8
131.08553	39.7
133.10136	39.6
135.08060	3.7
135.11700	3.4
142.07846	3.8
143.08539	6.5
145.10187	6.9
147.08063	4.0
147.11716	22.7
149.09581	13.1
155.08549	3.5
157.10115	25.7
159.11700	5.1
161.13258	3.4
166.61243	2.6
171.11667	12.5
175.11180	14.4
175.14780	3.8
185.13243	5.6
189.16164	3.4
193.12207	34.7
203.17882	14.7
211.13293	30.8
217.74785	3.0
223.95068	3.6
267.15881	17.2
269.22668	19.5
282.72809	2.8
285.16943	71.2
285.99283	2.8
287.23682	13.7
299.72064	2.8
313.27469	3.7
314.27637	3.8
326.17264	3.1
361.27307	44.6
507.39243	4.2
508.40753	4.5
553.38922	5.4
570.38538	3.7
571.39917	71.7
652.47418	4.2
795.84570	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	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.9
55.05503	27.6
55.66682	1.8
55.77906	1.7
57.03426	14.4
57.07069	2.1
67.05494	83.7
67.68524	1.8
69.03417	9.2
69.07053	22.2
71.04984	3.9
71.08683	1.9
79.05476	88.3
81.03407	16.4
81.07044	79.2
83.04961	24.6
83.08598	8.1
85.06525	3.6
91.05469	99.8
93.07030	80.5
95.04948	30.9
95.08596	38.1
97.06517	9.6
99.08012	3.0
103.05532	2.0
105.04520	2.1
105.07011	80.6
107.04958	16.0
107.08577	44.7
109.06505	5.0
109.10159	41.1
117.07011	18.1
119.08550	29.8
121.06485	11.5
121.10134	13.0
123.08042	3.9
123.11719	3.1
129.06969	22.1
131.08575	19.1
133.06468	4.5
133.10114	53.1
135.08055	8.9
135.11707	4.7
143.08537	17.7
145.10118	11.0
147.08014	4.7
147.11662	27.5
149.09595	12.3
151.11143	21.0
157.10139	2.7
159.08026	3.4
159.11678	4.1
161.09586	9.9
161.13263	8.2
169.10201	2.1
171.11652	17.3
189.12738	7.9
207.13818	12.9
213.12828	2.3
223.13420	2.5
245.18884	4.2
251.12924	2.2
253.14279	45.8
263.20087	4.5
273.18411	24.5
281.17392	34.8
291.19449	24.8
317.67908	2.0
340.90726	2.5
347.22116	12.6
363.16205	2.1
365.23175	21.6
411.22351	2.2
475.26166	2.8
477.28375	18.7
553.35132	23.1
571.27844	4.0
571.36237	100.0
685.15900	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	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
55.05505	28.2
57.03417	6.5
57.07028	0.7
57.26730	0.7
59.05003	0.7
61.02919	0.9
65.03926	1.2
67.05142	1.3
67.05494	39.3
69.03417	5.7
69.07053	23.7
69.64596	0.7
71.04967	1.7
71.08617	0.6
73.02879	0.7
76.56361	0.7
79.05476	47.9
80.05802	0.8
80.44562	0.6
81.02757	0.6
81.02958	0.7
81.03392	9.6
81.07039	38.2
83.04964	10.6
83.08607	11.5
85.02898	1.1
85.06513	1.1
87.79967	0.6
91.04881	1.6
91.05460	43.5
92.08657	1.4
93.07026	45.2
95.01311	1.5
95.04949	19.3
95.08593	20.4
97.02882	8.1
97.06499	3.9
97.10149	11.9
103.05451	1.4
105.07010	30.6
107.04929	9.3
107.07948	1.1
107.08587	15.0
109.06487	4.5
109.10146	5.6
111.04421	1.1
111.08082	1.4
113.02977	0.6
115.05436	1.1
117.06994	10.9
119.04939	0.8
119.08564	22.0
121.06509	5.1
121.10124	6.0
123.08092	6.1
125.09618	6.8
128.06244	1.5
129.06981	11.5
130.07773	0.9
131.08572	8.0
133.06479	3.7
133.10107	9.1
134.07295	0.8
135.08029	4.6
135.11655	3.1
143.08528	6.9
145.10120	10.9
147.08044	7.5
147.11647	17.4
149.09590	1.6
153.09108	0.7
154.03719	0.7
157.10077	0.9
159.11639	1.2
161.09595	4.1
161.13214	5.2
162.10391	1.0
163.11160	1.3
171.11649	10.3
175.11142	0.9
189.11174	2.6
189.12749	3.4
207.13831	6.2
223.13251	15.9
227.12762	4.5
232.14615	0.7
249.14801	3.2
255.17323	0.9
267.25018	0.7
273.18491	12.5
281.17413	30.7
291.19485	73.1
292.19745	1.0
337.40503	1.0
347.22107	1.4
365.23181	22.8
438.20013	0.9
473.28778	2.8
514.55359	0.8
553.35010	3.0
571.36200	100.0
572.36230	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95773	1.2
54.82116	1.4
55.01871	10.6
55.05267	1.6
55.05508	27.1
57.03425	8.9
65.03925	2.5
67.05499	76.6
69.03404	6.2
69.07052	22.3
71.04974	7.0
73.02914	1.9
73.40681	1.3
79.05480	88.6
81.03398	15.1
81.07047	76.6
83.04977	19.0
83.08613	10.3
85.02898	1.6
85.06530	3.2
91.05467	100.0
92.09393	1.5
93.07029	80.4
93.71977	1.5
95.04950	27.0
95.08589	30.4
97.06512	8.7
97.10144	3.1
99.04446	2.1
105.04517	2.3
105.07023	71.1
107.04949	14.2
107.08587	37.1
109.06516	8.8
109.10153	43.8
111.08083	6.1
115.05450	2.1
117.06994	14.3
119.08571	31.5
121.06504	12.2
121.10125	9.9
123.08057	8.8
123.11677	7.4
127.07543	2.6
128.06187	3.1
129.06987	15.9
131.08546	17.7
133.06488	8.8
133.10115	60.6
135.08040	9.2
135.11682	2.5
141.06932	1.6
143.08513	13.3
145.10126	18.1
147.08028	5.8
147.11693	23.2
149.09608	8.2
151.11165	19.7
155.08595	1.9
157.10104	3.2
161.09605	9.0
161.13252	7.6
163.11124	2.7
163.96051	1.5
169.12248	1.6
171.11635	18.7
175.11201	2.3
179.10817	1.4
185.13228	1.8
189.12721	6.7
207.13751	14.0
234.15025	1.5
235.07849	1.5
245.18954	3.2
251.12833	1.7
253.14313	66.0
255.17606	1.7
273.18399	24.5
281.17432	25.2
291.19449	24.5
347.22150	8.7
365.23297	15.6
423.91238	1.6
477.28415	20.0
491.31604	1.5
544.59576	1.7
546.97192	1.6
553.35486	13.5
571.36169	83.2
735.29242	1.8
781.31769	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	767.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05502	2.9
57.03416	2.6
57.07056	7.0
58.49467	2.7
61.02916	3.8
67.05502	7.0
68.90886	2.5
69.07085	2.7
71.08630	3.9
71.26672	3.4
73.69857	2.7
76.56261	2.7
79.05486	6.8
81.03410	5.3
81.07055	6.9
83.08619	3.4
85.02917	4.3
85.71931	2.8
85.99603	2.5
91.03927	4.1
91.05474	11.6
93.07022	5.7
95.08620	5.8
99.04446	3.1
112.78099	2.7
117.06944	4.1
119.08562	5.1
201.06239	3.4
250.60451	3.0
451.95325	3.5
489.20950	3.9
507.40604	5.6
519.49689	3.5
527.41925	3.4
767.43213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.7
55.05507	36.6
55.58406	1.0
57.03418	5.5
65.03911	1.6
67.05142	1.9
67.05497	50.2
69.03413	9.5
69.06714	1.9
69.07059	31.1
71.04989	1.9
72.26238	1.2
76.56385	1.3
79.05478	59.6
81.03423	9.5
81.07045	45.4
83.04979	13.2
83.08609	8.2
85.02895	2.5
85.06557	1.1
91.05464	57.6
93.07026	56.1
95.04955	18.7
95.08587	23.8
95.42187	1.3
97.02868	6.1
97.06510	6.5
97.10162	13.1
103.05425	1.6
105.07011	38.9
107.04931	11.2
107.08588	19.3
109.06516	7.5
109.10136	10.7
111.04474	1.6
111.08113	2.2
116.06174	1.5
117.06998	11.2
119.04939	6.6
119.08565	30.5
121.06499	13.9
121.10124	5.1
123.08033	2.8
123.11681	1.5
125.09615	6.9
128.06238	2.1
129.07002	15.4
131.08530	12.1
133.06508	2.8
133.10112	16.1
134.07275	1.8
135.08058	2.8
137.09554	1.3
139.18185	1.5
141.06944	1.5
143.08562	8.9
145.10126	11.1
146.07414	1.4
147.08073	7.9
147.11665	16.2
149.09639	2.4
156.09334	2.8
157.10255	4.5
159.08046	1.6
161.09644	5.5
161.13252	7.6
163.43335	1.3
171.11635	13.0
175.11105	2.5
189.12740	5.2
193.12289	1.5
201.31512	1.4
203.14346	1.5
207.13771	10.2
223.13222	11.6
227.12769	3.1
249.14833	5.2
253.14357	2.2
273.18332	14.1
281.17401	28.2
291.19504	77.1
325.95108	1.7
347.22510	2.1
365.23160	19.2
432.89600	1.5
473.29312	2.9
520.75421	1.4
553.35156	6.4
571.36194	100.0
572.36005	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	767.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43195	2.9
55.05507	7.3
57.07058	5.9
57.88301	2.4
59.87319	3.3
61.02918	5.6
67.05477	13.8
69.07053	5.3
71.08596	4.3
73.02901	3.2
75.15949	2.9
79.05473	6.8
81.07032	13.3
83.08607	2.9
85.02892	5.2
91.05460	12.9
93.07016	15.0
95.08616	5.1
97.02888	6.5
105.07030	5.0
107.06606	3.3
107.08598	3.5
119.08570	4.0
129.05452	3.7
161.66681	3.5
176.22047	3.1
195.72144	3.0
231.49689	4.2
370.56357	3.9
465.20459	4.1
507.39868	7.3
517.72607	3.6
759.86200	4.2
767.43286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
57.03417	5.6
57.07062	4.9
58.06303	1.5
58.06589	36.9
59.07372	9.8
60.08154	9.0
66.75806	1.2
67.05488	6.3
67.16751	1.0
69.07053	1.5
71.08615	2.8
75.04480	2.3
79.05461	2.4
81.07053	4.7
85.02887	2.0
85.10150	1.9
87.04454	4.1
91.05469	1.7
93.06984	1.8
95.08593	5.3
103.35047	1.0
106.57147	1.1
107.08587	1.4
109.10160	1.5
119.34179	1.1
129.44460	1.3
133.64352	1.3
144.10155	16.2
162.11237	5.9
177.03033	1.2
178.73647	1.4
190.60983	1.1
236.14880	100.0
237.15224	1.5
298.50378	1.2
311.18280	1.4
456.36832	8.4
474.37689	13.8
510.34061	5.0
577.52008	2.0
626.45905	1.7
747.55243	2.8
748.57056	60.8
766.58051	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	766.5819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05504	2.6
56.21068	0.3
56.99131	0.3
57.03426	6.1
57.07066	4.0
58.06588	36.8
59.07367	11.3
59.36712	0.3
60.08151	8.5
64.33818	0.3
67.05488	4.1
67.44067	0.3
68.02396	0.4
69.07008	2.3
71.08609	4.7
73.02858	0.6
75.04467	2.9
79.05467	2.8
79.94286	0.4
81.03345	0.4
81.07050	3.0
83.04961	0.4
83.08563	1.7
84.08091	1.9
85.02849	2.6
85.10133	1.9
87.04446	4.2
91.05423	2.0
92.09277	0.9
93.06990	2.0
95.04930	0.4
95.08588	3.4
97.10129	0.5
99.08083	0.4
102.05489	1.5
105.05471	0.6
105.06976	1.7
107.08552	0.9
109.10138	0.8
113.05965	1.5
119.08514	0.4
130.08563	0.5
131.07021	1.8
133.10088	0.7
144.10182	17.6
155.43192	0.4
160.59435	0.4
162.11200	5.7
187.66547	0.4
200.12907	0.6
218.13818	2.3
236.14882	100.0
237.15211	1.6
275.19830	0.6
288.41748	0.4
293.21082	2.2
314.95636	0.4
410.25311	0.5
412.37827	0.6
423.27097	3.3
456.36661	8.9
474.37845	13.5
492.33237	0.4
510.34259	2.1
528.35492	1.7
661.50232	4.4
666.49585	3.8
668.50824	2.2
730.56177	0.7
736.79669	0.5
748.57092	17.0
765.57086	0.5
766.58093	62.2
767.58307	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	766.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
55.05472	1.3
57.03435	5.0
57.07067	4.2
58.06593	32.2
59.07372	11.2
59.09993	0.3
60.06443	0.3
60.08155	9.1
61.17225	0.3
67.05493	3.8
69.07060	2.2
71.08617	3.6
73.02865	0.7
75.04464	2.7
79.05444	1.9
81.07043	3.5
83.04929	0.3
83.08604	0.5
84.08091	1.6
85.02895	2.7
85.10136	1.3
85.51308	0.3
85.81029	0.3
87.04454	3.5
88.03717	0.3
91.05428	1.9
93.05444	0.4
93.06996	1.5
95.08580	2.7
100.11227	0.5
101.44943	0.4
102.05501	0.4
103.03923	0.4
105.05470	0.7
105.06990	0.6
107.04877	0.4
107.08556	0.5
109.10094	0.5
113.05936	1.4
117.07034	1.0
117.07785	0.3
119.08561	0.4
121.10091	0.4
130.08551	0.4
131.06963	1.3
131.08524	0.5
133.10074	0.3
144.09029	0.7
144.10178	15.2
157.10085	0.3
162.11234	5.1
200.12790	0.5
207.43819	0.3
218.13831	1.8
224.16823	0.4
225.27863	0.3
233.96431	0.3
236.14891	100.0
237.15237	1.3
313.27426	0.6
412.27020	1.5
412.37863	0.7
430.28076	1.6
434.33142	0.4
456.36792	8.5
474.32050	0.5
474.37839	13.3
475.38211	0.6
492.33109	1.3
510.34311	1.5
547.28888	0.3
654.48962	2.1
668.42303	0.3
668.50848	14.7
730.56079	6.9
748.57098	23.3
749.57489	0.8
766.58167	33.0
767.58221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
55.05503	25.3
57.03436	22.0
57.07067	46.6
61.02907	5.6
67.05495	58.7
67.82921	2.2
69.03412	11.2
69.07056	14.5
71.04983	3.6
71.08619	66.7
73.02876	2.3
73.06506	3.3
79.05478	48.5
81.03410	58.7
81.07041	49.6
83.04996	12.3
83.08620	20.7
85.02895	31.2
85.10160	29.7
87.04453	30.3
89.06017	95.4
91.05470	100.0
93.07032	55.0
95.04967	34.1
95.08591	32.3
97.02872	4.4
97.06499	4.1
97.10158	4.0
100.33327	2.5
103.05450	5.9
105.07024	63.6
107.04965	13.4
107.07045	3.3
107.08566	15.5
109.06515	4.0
109.10153	12.0
111.08039	4.0
117.06991	37.2
119.04948	3.9
119.08567	53.9
121.06506	30.4
121.10133	21.3
127.14850	3.5
128.06192	3.7
129.05496	3.9
129.06967	29.0
131.06989	5.0
131.08553	46.9
133.08583	47.2
133.10088	22.9
135.08046	4.1
135.11667	4.5
136.05159	4.9
141.07001	3.2
141.16463	2.9
142.07780	4.0
143.08563	14.7
145.10077	30.4
147.08084	18.8
147.11679	14.3
149.09589	19.6
149.13274	2.7
155.08553	5.1
156.16945	2.5
157.10156	15.3
159.11623	10.0
163.11223	4.4
165.09093	4.0
167.10648	3.1
171.11638	4.5
173.13274	4.5
175.09740	4.6
175.11162	11.9
175.14813	3.8
177.11211	23.6
185.13257	5.2
191.10600	3.2
193.12216	26.5
194.76712	2.6
201.16306	9.5
206.90970	2.4
211.13266	22.8
211.15007	3.2
231.78139	2.5
247.20596	14.6
267.15872	16.3
267.21072	5.7
273.22144	3.0
285.16962	40.1
285.22092	6.4
291.23093	26.1
313.27304	18.5
359.25949	19.4
505.38934	3.8
517.77594	3.2
569.38318	40.5
749.49994	11.8
766.52722	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	766.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87094	1.9
55.01857	10.8
55.05506	32.1
57.03428	16.3
57.03665	1.6
57.07058	8.3
61.02905	9.4
67.05490	50.1
69.03394	1.8
69.07053	14.9
71.04974	3.4
71.08609	3.8
79.05474	51.1
81.03404	10.8
81.07032	45.9
83.01326	8.6
83.04958	17.4
83.08617	15.8
85.02886	8.5
85.19364	2.0
91.03938	2.9
91.05457	71.9
93.07023	53.0
95.04938	11.3
95.08578	28.4
97.02874	4.7
97.06474	2.4
103.05412	2.0
105.07015	41.4
107.04945	8.8
107.08582	24.0
109.06506	4.7
109.10140	9.5
117.06223	3.2
117.06976	25.5
119.08553	39.2
121.06445	3.0
121.10147	19.9
123.08048	8.9
126.70213	2.2
129.05484	2.5
129.06981	13.4
131.08580	22.9
133.10123	25.2
135.08026	3.8
135.11667	19.1
137.09528	3.3
143.08517	11.7
145.10078	23.7
147.11693	12.4
157.10106	4.9
159.11705	3.9
161.13219	8.3
163.11151	24.4
171.11638	12.7
173.09572	2.6
173.13126	2.1
175.14752	5.0
185.13211	9.2
189.16307	3.2
203.17877	15.8
209.11716	4.2
245.22578	2.3
248.56439	2.3
269.22580	20.2
283.15356	100.0
287.23618	27.6
313.27271	2.1
361.27264	27.4
569.38293	22.4
703.57355	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	766.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	1.0
54.91103	1.0
55.01664	1.0
55.01869	16.6
55.05504	23.0
57.03430	44.8
57.07069	12.4
61.02903	7.7
65.03918	1.9
67.05495	93.2
69.03412	6.2
69.07058	19.2
71.04970	5.7
71.08604	8.3
71.25636	1.0
71.26052	0.9
73.02889	2.7
79.05476	92.6
81.03402	60.5
81.07041	77.2
81.07517	2.4
83.04953	8.3
83.08598	14.9
85.02893	82.6
85.06519	2.8
85.10130	2.8
91.05463	85.7
93.07028	89.6
95.04949	22.5
95.08003	2.7
95.08588	65.4
97.02872	6.9
97.06508	7.4
97.10143	2.0
101.05972	1.5
103.05460	6.3
105.04510	1.4
105.07016	85.9
107.04939	33.9
107.08587	33.9
109.02857	1.5
109.06508	14.4
109.10165	19.5
111.04424	2.1
111.08078	3.1
113.05986	1.4
113.30173	1.1
115.05431	15.9
117.06999	27.9
119.04948	1.9
119.08558	22.7
121.06498	12.8
121.10119	30.4
123.08040	7.5
123.11677	6.1
125.09593	1.6
128.06180	9.5
129.05489	2.2
129.06981	45.5
131.04887	2.4
131.07635	1.9
131.08546	31.6
133.06467	58.2
133.10098	20.7
135.08015	12.3
135.11668	11.1
137.05954	1.7
141.06987	7.7
142.07747	6.8
143.08560	20.9
145.06445	2.0
145.10133	13.7
147.08014	6.2
147.11667	9.9
149.09592	11.5
149.13258	6.0
151.07549	5.7
153.06995	1.8
155.08531	14.4
156.09300	2.4
157.06433	2.6
157.10091	24.4
159.11682	4.9
160.99979	1.5
161.13170	2.9
165.06921	2.3
166.07817	9.2
167.08534	1.5
167.10681	3.0
169.10109	6.5
171.04027	1.5
171.11658	27.6
173.09612	14.6
173.13170	3.1
175.11153	5.7
179.08437	1.6
181.10074	12.9
187.11115	1.6
189.12730	7.0
193.12138	3.0
199.11172	21.0
214.96445	1.2
217.12234	26.8
232.65033	1.2
235.13239	8.2
261.22110	2.2
267.15778	8.7
291.15988	9.5
309.16919	38.9
313.27390	11.5
335.25754	100.0
477.33868	1.3
493.17331	1.6
505.39072	10.6
506.39160	1.8
534.76959	1.4
551.37244	11.2
569.38287	77.3
570.38605	1.4
766.43469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.03426	8.3
57.07063	6.6
58.06302	1.7
58.06590	42.6
59.07364	11.1
60.07894	0.8
60.08158	11.5
67.05495	6.6
69.07049	0.8
70.76734	0.6
71.04993	0.6
71.08617	3.7
74.03785	0.6
75.04452	4.2
79.05484	1.3
81.07038	5.5
81.99725	0.9
83.08613	0.9
84.08140	3.3
85.02884	3.2
85.06564	1.0
85.07840	0.6
85.10192	1.3
87.04460	3.8
91.05476	3.0
92.07607	0.8
93.07031	1.3
95.04970	3.7
95.08578	3.1
97.10146	0.8
98.47087	0.8
105.05497	1.0
105.07031	0.8
109.06494	1.4
109.10144	0.9
113.06003	5.2
131.07008	0.9
131.08582	1.1
144.10196	16.3
162.11272	7.0
179.97083	0.8
211.46059	0.9
218.13934	1.0
236.14897	100.0
237.15359	1.0
274.50821	0.7
381.44537	0.8
456.37030	5.4
474.37769	15.3
490.31812	1.0
508.32758	3.5
526.34546	0.9
575.49988	1.2
746.55518	34.7
764.56635	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	764.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51227	0.6
54.81546	0.5
55.01866	0.9
55.05503	3.4
57.03431	8.0
57.07072	8.3
58.06593	47.7
59.07373	14.8
60.08157	11.6
64.33233	0.6
67.05495	6.0
69.03411	0.6
69.07063	4.3
71.08619	5.3
73.02919	0.8
75.04464	3.4
79.05485	3.7
81.07046	6.6
83.08601	2.2
84.08115	2.1
85.02904	2.4
85.10184	1.2
87.04449	6.0
91.05465	3.3
92.08622	1.3
93.07037	2.7
95.08591	5.0
97.10144	0.6
102.05523	2.3
105.07076	1.0
107.08604	0.8
109.10177	0.8
116.06188	0.5
131.07074	1.0
144.10190	16.0
162.11223	7.6
193.18069	0.9
218.13930	1.4
236.14891	99.0
273.18433	0.8
290.16061	1.0
291.19403	1.0
313.27405	1.0
412.37997	0.8
421.26068	2.6
456.36685	7.0
474.37885	14.4
508.33124	1.3
526.33527	2.8
575.50275	7.4
659.48981	5.1
666.49377	4.0
727.26965	0.6
746.55554	21.2
746.68884	0.8
764.56567	100.0
765.56830	3.1
771.54974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.82477	0.9
55.05500	5.5
55.66988	0.9
57.03421	2.7
57.07055	1.7
59.99289	1.1
61.02918	7.5
62.27212	0.9
62.47496	1.2
62.84120	1.2
67.05493	14.8
69.03424	5.3
69.07055	4.3
71.04997	4.1
71.08646	1.1
73.02917	4.8
79.05483	10.0
81.03393	2.2
81.07037	14.4
83.08615	2.0
85.02898	5.3
91.03938	2.7
91.05457	9.5
93.07036	5.9
95.08605	7.2
97.02888	6.8
97.06516	1.3
97.10186	1.8
101.02381	2.0
105.07039	7.1
107.08614	4.8
109.10190	1.3
111.15158	1.0
114.45428	1.1
119.08580	2.0
121.10145	1.6
127.03918	1.8
131.08582	4.5
133.10120	2.2
138.81866	1.3
177.25584	1.0
218.56335	1.2
243.08467	2.5
243.18578	1.4
262.53030	1.2
313.27509	1.7
457.16956	1.3
458.36176	1.2
485.23825	6.9
519.29395	8.3
573.48987	2.2
574.49072	4.6
763.45953	100.0
764.46356	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	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01871	1.6
55.05520	1.5
55.97427	1.2
57.03434	5.3
57.07078	1.5
59.26112	1.1
61.02920	7.8
64.66253	1.2
67.05502	8.3
69.03432	4.9
69.86646	1.1
73.02908	5.9
79.05487	7.5
81.03407	2.0
81.07047	8.4
85.02908	7.8
86.09708	5.9
88.07617	1.4
91.03978	2.2
91.05477	5.4
93.07046	7.5
95.04955	2.5
95.08611	7.4
97.02897	5.2
101.02390	2.4
103.36460	1.6
105.03393	4.9
105.07036	2.8
107.08622	3.0
109.02924	1.4
109.10186	2.3
117.07024	1.2
118.32250	1.1
119.08582	1.6
121.10171	2.1
125.00057	2.7
131.08571	1.5
133.10092	1.4
135.11749	1.9
184.07314	14.0
243.08473	1.4
256.26300	1.9
267.11972	1.4
286.68472	1.3
347.25491	1.3
485.19891	2.7
519.29126	2.7
745.41553	1.9
762.40747	11.5
763.42133	100.0
770.39648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01871	1.6
55.05520	1.5
55.97427	1.2
57.03434	5.3
57.07078	1.5
59.26112	1.1
61.02920	7.8
64.66253	1.2
67.05502	8.3
69.03432	4.9
69.86646	1.1
73.02908	5.9
79.05487	7.5
81.03407	2.0
81.07047	8.4
85.02908	7.8
86.09708	5.9
88.07617	1.4
91.03978	2.2
91.05477	5.4
93.07046	7.5
95.04955	2.5
95.08611	7.4
97.02897	5.2
101.02390	2.4
103.36460	1.6
105.03393	4.9
105.07036	2.8
107.08622	3.0
109.02924	1.4
109.10186	2.3
117.07024	1.2
118.32250	1.1
119.08582	1.6
121.10171	2.1
125.00057	2.7
131.08571	1.5
133.10092	1.4
135.11749	1.9
184.07314	14.0
243.08473	1.4
256.26300	1.9
267.11972	1.4
286.68472	1.3
347.25491	1.3
485.19891	2.7
519.29126	2.7
745.41553	1.9
762.40747	11.5
763.42133	100.0
770.39648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.71985	0.5
55.01855	0.6
55.05503	2.2
57.03429	3.2
61.02921	6.4
66.89226	0.5
67.05492	5.0
67.81387	0.5
69.03425	4.6
69.07066	0.8
71.04943	0.5
73.02900	3.8
79.05491	6.3
81.03408	4.2
81.07040	5.0
83.08593	1.0
85.02902	6.3
91.03954	3.4
91.05470	7.2
93.07037	6.2
95.04956	1.2
95.08606	3.1
97.02895	4.5
99.04428	0.8
101.02348	2.1
105.07030	6.2
107.08592	3.3
109.02841	0.9
109.10151	1.3
116.93357	0.5
117.06998	1.2
119.08573	3.4
120.63200	0.6
121.10106	0.8
127.03947	1.4
129.07007	0.7
131.08574	2.5
133.10126	2.6
135.11650	1.0
147.11751	2.2
157.10124	1.1
161.13284	0.9
183.75424	0.6
185.04279	0.7
193.12210	0.9
223.48033	0.6
224.48122	0.6
224.56342	0.7
243.08443	3.1
251.12543	2.5
259.20551	0.7
279.92780	0.6
281.55475	0.6
301.09021	1.1
469.20322	6.8
535.28827	9.4
540.45013	0.7
541.22656	1.3
763.42255	100.0
764.42725	2.5
778.48126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01865	1.7
55.05520	1.3
57.03428	2.4
57.07072	1.1
61.02916	5.9
67.05492	7.4
69.03425	5.5
69.07059	2.2
73.02904	4.6
79.05468	7.2
81.03411	4.6
81.07043	7.1
83.06238	0.9
85.02895	9.0
91.03963	5.0
91.05485	5.5
93.07011	7.2
95.04958	1.7
95.08613	6.6
97.02876	6.9
101.02383	2.0
105.07042	2.3
107.08630	4.1
109.02868	1.5
109.10178	1.9
112.57584	0.9
119.08611	2.1
121.10106	1.8
127.03932	1.8
135.11752	2.0
189.36729	1.0
233.25015	1.0
243.08478	1.3
267.03772	0.9
267.12128	4.2
305.49539	1.0
320.30405	1.1
335.26080	1.3
416.86752	1.0
441.17584	1.7
485.19595	2.0
490.06857	1.0
519.29126	9.3
719.39423	2.0
762.41132	2.4
763.42200	100.0
764.41888	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	762.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.03428	4.8
57.07059	10.3
58.06588	41.8
59.04974	2.1
59.07367	13.9
60.08151	10.5
66.78668	1.7
67.05496	3.2
68.03617	1.8
75.04472	3.1
79.05467	3.7
81.07014	2.7
83.08608	2.9
85.02880	2.2
87.04442	3.5
91.22952	1.8
92.09396	2.0
95.08601	3.8
107.43622	2.3
109.23737	2.0
144.10165	12.8
162.11237	3.4
184.86201	2.3
236.14908	100.0
258.74490	2.1
330.30811	2.2
456.36807	9.4
474.37726	9.6
744.53717	4.2
762.54956	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	763.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	1.7
55.05455	0.2
57.03406	1.6
61.02890	1.4
65.03922	0.2
68.99765	1.7
69.03081	0.5
69.03417	9.5
71.04945	0.6
73.02872	1.1
81.02931	0.4
81.03401	8.7
84.99233	0.3
85.02890	11.6
87.00809	5.8
87.04453	0.2
91.05495	1.7
91.24918	0.2
94.01522	0.2
97.02879	3.4
99.04409	1.7
103.03890	0.3
105.01827	1.6
109.02852	5.2
111.04401	0.2
117.01796	1.0
119.04933	5.2
120.91690	0.2
123.04400	2.5
124.07582	0.3
127.03880	5.6
129.01849	0.4
129.03427	0.3
135.04381	0.3
145.04941	1.2
147.04399	14.1
153.01813	0.3
159.02876	2.3
171.04295	0.3
175.03873	3.1
187.03853	2.8
203.03365	4.2
211.07521	1.3
215.03360	2.6
223.07452	0.3
225.01762	0.3
227.03285	2.1
229.01189	1.2
231.04976	0.4
235.07523	1.4
239.06892	1.5
243.02837	3.0
243.06517	0.4
245.04454	1.2
247.02330	1.1
247.07455	0.3
251.07054	0.4
255.06567	0.5
257.08060	1.0
263.07062	2.0
265.04620	0.3
267.06528	0.5
269.04312	0.3
271.02316	100.0
272.02740	0.5
279.06531	1.4
281.07999	2.4
283.05942	0.6
289.03339	9.5
303.06387	0.5
307.05988	1.1
309.07535	0.3
313.03577	1.2
321.07742	0.4
331.05875	0.9
335.05655	1.7
349.07034	2.3
353.06506	1.0
359.05554	0.5
377.06448	3.8
381.10281	0.3
391.08041	51.7
392.08511	1.1
395.07538	16.6
411.42456	0.3
497.12534	0.4
503.09085	0.3
515.13306	14.0
602.55670	0.3
625.11084	0.4
639.12604	0.3
643.12787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
53.20469	1.5
53.43056	1.3
55.01863	7.1
55.05509	23.3
56.30952	1.3
57.03431	20.7
57.07071	3.7
65.03927	2.5
67.05495	72.2
69.03423	1.7
69.07058	25.3
71.04944	2.8
72.61524	1.5
79.05478	75.3
81.03411	25.4
81.07046	58.8
83.04961	7.3
83.08598	8.8
91.05464	100.0
93.06487	2.9
93.07030	62.2
95.04967	12.5
95.08585	54.3
97.02888	3.1
97.06525	10.2
97.10153	2.5
98.98446	2.1
103.05458	9.3
105.07014	40.0
107.04946	3.9
107.08590	25.8
109.06505	7.0
109.10143	13.6
115.05428	8.9
117.07005	54.0
119.08559	53.2
121.06491	6.7
121.10120	16.0
123.08064	8.1
123.11705	1.9
128.06223	23.4
129.06990	75.9
131.08545	25.1
133.06464	2.0
133.10110	9.4
135.08038	3.9
135.11696	6.3
141.06961	18.1
142.07802	2.2
143.08542	20.9
145.06477	3.4
145.10112	10.0
147.08046	32.8
147.11633	2.8
149.09517	3.7
149.13284	2.2
153.06943	2.6
154.07782	4.1
155.08606	2.4
157.10098	8.3
159.11652	6.5
165.06973	3.6
167.08524	13.9
169.10115	17.3
171.11697	7.3
185.09641	1.8
185.13257	12.6
187.11212	3.5
195.11650	10.0
213.12694	12.0
231.13824	7.1
263.35559	2.0
287.88852	1.9
305.17383	31.3
313.27237	1.7
335.25742	88.3
335.29779	3.3
493.47098	1.9
499.33856	9.4
565.38733	75.9
566.39490	2.3
573.48767	21.2
656.95520	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05505	3.0
57.03435	2.7
57.72993	0.4
61.02917	7.4
62.08244	0.4
67.05501	6.4
69.03426	3.8
69.07056	1.8
71.04971	0.8
73.02903	4.3
79.05480	5.8
81.03407	2.8
81.07039	5.5
83.08624	1.7
85.02892	5.3
91.03947	3.2
91.05466	6.2
93.07031	7.9
94.07332	0.5
95.04964	1.0
95.08589	3.5
97.02867	5.0
97.06526	0.5
99.04449	0.7
101.02349	2.2
105.07014	4.2
107.04913	0.5
107.08567	4.3
109.10130	1.5
117.06994	1.0
119.08581	3.8
121.09376	0.4
121.10164	2.4
123.08074	0.6
127.03898	1.5
129.07024	0.7
130.07748	0.5
131.08572	1.0
133.10135	3.3
135.08061	0.5
135.11708	2.4
143.08578	0.7
145.10109	0.8
147.11722	0.9
149.13243	0.6
159.11635	0.7
160.17642	0.4
161.13193	0.8
163.11192	1.8
168.87254	0.5
171.11696	0.5
171.59564	0.5
185.04208	0.6
188.66676	0.5
198.25356	0.5
228.44078	0.4
241.06757	0.5
243.08482	2.7
249.10905	0.6
259.20694	1.7
283.15671	0.5
301.08920	0.8
315.10153	0.5
393.62305	0.4
465.21436	1.0
467.18665	6.6
497.12067	0.4
535.28674	6.8
540.50470	0.5
657.94208	0.5
663.33948	0.7
761.40723	100.0
762.41010	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81784	1.0
55.05511	3.2
56.76879	1.1
57.03433	5.8
57.22530	1.5
61.02915	5.6
67.05486	12.3
69.03412	1.5
69.07060	5.8
71.04992	1.3
71.08168	1.2
71.95428	1.2
73.02908	3.6
79.05470	12.2
81.03413	6.4
81.07048	8.7
83.04978	2.5
83.08621	2.2
85.02898	8.4
91.03950	2.2
91.05467	14.5
93.07034	9.4
95.04967	5.7
95.08601	5.7
97.02875	3.5
97.06516	2.0
98.14487	1.4
101.02388	1.7
105.07030	8.5
107.04935	2.3
107.08575	5.4
109.10159	3.4
117.07074	2.8
119.08597	7.5
119.44608	1.3
121.10111	2.6
125.84837	1.4
129.07005	1.9
131.08568	3.1
133.10100	3.1
135.11690	2.6
145.10107	1.5
147.08055	1.5
149.09625	2.4
159.59322	1.4
163.11179	2.5
193.12338	2.3
227.46680	1.5
243.08440	2.9
259.65973	1.6
315.19339	3.0
463.26895	1.7
469.20398	12.7
533.27069	2.6
692.81189	1.5
761.40710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.4
53.03934	9.1
55.01873	3.4
55.05506	31.7
56.35392	2.2
57.03427	15.1
57.07063	3.3
65.03936	3.3
67.05496	78.5
67.94807	2.2
69.07059	25.8
71.04974	3.1
71.08615	4.6
79.05480	95.4
81.03400	9.4
81.06596	3.5
81.07045	58.8
83.04986	15.7
83.08617	15.5
83.53744	2.0
85.02917	3.0
86.32425	2.0
91.05463	100.0
91.05998	4.3
93.07029	70.9
95.04953	19.0
95.08580	50.4
97.06533	4.9
97.10151	8.8
103.05421	2.5
105.07006	57.6
107.08601	20.9
109.06486	4.8
109.10139	13.9
117.07002	39.9
119.08576	37.1
121.10141	15.7
123.07995	4.2
128.06216	4.5
128.14589	2.1
129.06990	34.5
131.08553	30.1
133.10127	21.5
135.11725	11.1
141.06992	4.9
143.08540	17.0
143.16817	2.6
145.10089	24.5
147.08002	3.0
147.11685	22.8
155.08591	4.0
157.10161	3.9
159.11653	8.8
161.13271	11.5
163.11195	4.0
167.08575	3.4
169.10124	5.1
171.11629	19.7
173.13260	5.7
187.14793	2.8
189.12703	3.0
201.16365	8.7
206.19078	2.7
207.13802	5.4
267.21063	3.0
281.17407	53.8
285.22141	3.7
359.25714	22.6
409.48947	2.6
538.52759	2.5
565.38898	85.4
573.48804	25.7
724.50739	2.8
730.25488	2.4
763.45300	9.2
788.13971	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.34949	0.7
55.01874	1.4
55.05508	5.1
55.15964	0.8
57.03434	4.7
59.04972	0.8
61.02924	8.0
65.03961	1.3
66.42934	0.8
67.05499	11.2
69.03427	3.8
69.07067	2.0
73.02898	4.3
79.05477	11.2
81.03407	3.4
81.07049	11.8
82.07421	0.9
83.04999	1.2
83.08609	0.9
85.02902	7.3
91.03950	4.0
91.05479	5.7
91.54826	0.9
92.12931	0.8
93.07026	9.6
95.04977	1.7
95.08596	8.2
97.02884	6.7
97.10177	1.4
99.00796	1.2
99.04390	1.3
101.02396	3.6
105.07031	4.5
107.04944	1.4
107.08625	6.0
109.02883	1.2
109.10153	2.2
111.04451	1.3
117.07023	1.7
119.08619	1.6
121.10163	3.6
127.03930	1.6
133.10129	4.9
135.11690	1.2
145.10155	1.7
161.09657	1.2
163.11197	1.2
184.07376	2.0
193.81105	1.1
230.47029	0.9
243.08482	1.6
265.10449	1.3
335.25766	1.8
336.26080	1.4
483.18274	7.6
519.29352	3.6
531.40442	1.1
761.40753	100.0
762.40289	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.03427	1.5
57.69374	1.1
61.02924	3.1
63.05200	1.2
67.05491	7.0
68.18763	1.1
69.03423	2.6
69.07061	5.6
73.02912	2.0
74.80863	1.2
76.56509	1.4
79.05484	5.8
81.03413	5.7
81.07052	6.4
85.02911	7.0
91.05474	9.0
93.07049	6.6
95.04958	2.6
95.08586	5.1
97.02891	3.0
100.80177	1.3
101.02400	2.4
105.07028	7.9
107.04975	2.5
107.08589	2.3
109.10137	2.3
117.06975	1.6
119.08588	6.7
121.10133	1.4
126.08096	1.4
127.03940	1.6
131.08598	5.7
133.10152	2.8
134.35696	1.3
145.10161	2.1
147.11725	2.1
149.09637	1.8
153.77222	1.3
169.36485	1.3
315.19308	2.7
343.39658	1.3
469.20334	5.7
533.27173	9.9
761.40680	100.0
780.15808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.8
67.05483	22.5
68.87253	3.1
69.07047	5.0
79.05457	14.2
79.24005	3.0
80.66708	3.9
81.07027	17.8
91.05430	5.9
92.08587	7.9
93.07017	15.8
95.08577	5.2
105.07011	6.3
107.08598	4.1
109.10107	3.5
131.08592	5.4
141.50867	3.3
192.63704	3.5
199.04263	4.4
217.00958	4.6
285.39029	4.3
337.27179	4.7
338.27466	5.0
401.64874	4.5
546.38403	6.7
761.38495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01851	0.6
55.05508	3.6
57.03438	4.3
61.02917	8.8
67.05500	9.5
69.03418	5.9
69.07061	1.1
71.04986	0.6
71.11475	0.6
73.02906	5.8
74.28350	0.7
76.56302	0.7
79.05471	7.1
81.03436	2.7
81.07035	10.5
83.04964	0.8
83.08591	1.2
85.02898	7.4
86.09738	0.7
91.03970	3.6
91.05460	6.4
93.07036	5.7
95.04976	0.8
95.08578	7.3
97.02872	7.3
101.02371	1.4
105.07049	4.3
107.08624	4.5
107.38806	0.7
109.02923	1.2
109.06435	0.8
109.10162	1.4
118.71782	0.8
119.08602	3.1
121.06544	0.9
121.10162	2.8
127.03915	1.2
131.08585	1.5
133.10164	3.5
143.08629	0.7
149.13264	0.9
159.11691	0.8
167.37065	0.8
168.62599	0.8
185.25945	0.7
197.06071	0.8
201.20891	0.8
203.05289	0.8
243.08504	1.7
335.25803	1.0
363.18082	0.7
428.11682	0.8
483.18314	3.5
519.29401	7.7
761.40753	100.0
762.41565	1.3
786.49371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44556	2.2
55.01873	3.7
55.05507	29.6
57.03425	19.0
57.07078	2.7
61.02916	5.8
67.05496	100.0
68.64296	2.7
69.03406	4.2
69.07048	22.9
71.04977	47.7
79.05474	59.4
80.94546	2.3
81.03412	14.5
81.07040	59.0
83.04961	6.5
83.08595	10.7
85.02890	6.3
85.06549	5.2
91.05466	68.9
93.07029	70.7
95.04937	11.9
95.08589	38.3
97.02892	2.9
97.06519	14.1
97.10094	2.9
102.09168	2.9
105.07022	61.6
107.08593	36.1
109.06515	3.4
109.10145	51.7
117.07027	25.4
119.08568	49.2
119.09875	3.2
121.10109	26.0
122.08868	3.5
123.08025	2.9
123.11701	3.5
129.06964	11.2
131.08525	30.1
133.10133	33.2
135.08078	3.4
135.11650	19.2
137.09613	11.8
143.08568	11.5
145.10075	25.7
147.11696	25.5
149.09636	3.4
149.13326	2.7
155.08516	3.3
157.10135	7.0
159.11710	14.9
161.13297	5.6
163.11191	7.0
171.11708	4.9
173.11703	5.3
173.13228	6.1
183.11652	3.6
185.13211	5.2
194.23642	2.8
195.11833	3.4
197.13211	3.2
211.95023	2.6
230.82860	3.4
241.19531	5.1
243.15874	4.4
246.18791	3.4
259.20526	20.5
287.18613	12.1
333.24194	21.2
343.73471	2.9
458.92722	3.0
461.76895	3.3
487.34085	45.3
513.35693	34.5
531.36816	4.3
534.27441	3.7
545.38538	20.0
689.41882	3.2
716.31006	3.3
760.39240	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03709	2.2
55.05499	3.9
57.07067	44.6
67.05491	5.0
69.07037	4.4
71.08613	39.9
73.06538	11.9
76.75285	2.7
79.05482	6.4
81.07035	5.4
85.10164	17.8
87.04467	7.5
89.06013	100.0
97.10103	3.6
109.75447	3.4
115.58083	3.3
117.09129	3.8
133.08578	40.5
140.96928	3.0
142.97327	3.3
174.53041	2.7
177.11197	17.9
221.13791	4.3
233.80836	4.0
285.27634	4.6
293.29568	3.5
308.73584	3.2
329.30310	4.7
455.17255	3.6
648.84210	3.8
743.53876	5.2
760.57904	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	760.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01856	4.0
55.05510	16.6
57.03434	16.0
57.07076	2.8
61.02913	1.8
65.03905	2.1
67.05492	44.6
69.03381	1.7
69.07047	12.0
69.36851	1.4
69.63082	1.6
71.04980	3.1
71.17271	1.6
72.02303	1.7
73.02895	2.4
75.21018	1.7
79.05475	42.3
80.05820	2.1
81.03401	53.9
81.07040	41.7
83.04958	3.8
83.08594	11.9
85.02888	3.2
86.09706	2.7
87.04464	3.9
89.06021	24.2
91.05459	35.2
92.17049	1.6
93.07024	35.6
94.07364	2.1
95.04948	20.6
95.08589	29.9
97.02889	2.7
97.06509	4.3
97.10143	2.6
103.05434	3.2
105.07015	100.0
107.04926	8.0
107.08578	17.9
109.10119	13.1
117.07005	8.6
119.08565	28.9
121.06497	14.6
121.10117	15.4
123.11676	1.9
124.99963	3.2
125.09592	2.2
129.06976	10.8
131.08543	19.8
133.06401	2.3
133.08553	15.2
133.10121	11.9
135.11674	10.6
143.08475	2.9
145.10118	8.0
147.08038	31.4
147.11644	7.9
149.09586	9.9
149.13277	3.1
157.10103	8.5
159.11693	7.2
161.13208	2.5
173.09634	1.8
173.13255	2.4
173.71323	1.8
175.11093	3.8
177.11201	7.3
184.07281	10.6
193.12222	10.1
215.78929	1.9
225.12726	9.2
243.08249	2.2
258.79501	1.8
261.22021	2.2
267.15811	31.3
282.66504	2.0
335.25790	29.2
373.21548	2.4
403.39819	2.3
433.50061	1.8
435.32382	2.6
440.62589	2.1
441.19379	1.9
514.89764	1.9
527.37122	19.7
545.38373	29.0
563.39026	2.4
619.69873	2.7
712.16162	1.9
759.42566	4.3
760.42664	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	760.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01864	3.9
55.05509	34.9
57.03177	2.2
57.03428	27.3
57.07077	3.2
58.95706	2.1
61.02896	2.5
65.03918	2.6
67.05145	3.3
67.05499	78.5
68.13857	2.1
69.07065	17.6
71.08612	2.9
73.02903	4.9
79.05481	65.1
81.03407	100.0
81.07042	71.3
83.04978	6.1
83.08617	20.3
83.85675	2.3
85.02871	2.3
85.31835	2.3
86.09655	4.1
91.05466	48.3
93.07030	66.4
95.04954	37.2
95.08589	52.5
97.02888	5.8
97.06520	4.3
97.10145	10.7
104.21890	2.1
105.07025	31.3
107.04947	10.2
107.08569	29.1
109.06497	4.3
109.10150	20.2
111.08046	10.7
117.07020	16.2
119.08568	33.8
121.10146	21.6
123.08025	2.6
123.11661	4.3
125.00001	3.3
129.06946	17.6
131.08562	25.0
133.10081	15.1
135.11681	12.3
143.08582	3.6
145.10120	14.4
147.11642	14.7
149.09608	5.8
149.13264	5.7
155.08482	2.5
157.10069	12.1
159.11633	4.1
161.13229	3.9
164.00880	2.6
167.01154	2.9
173.13216	3.0
175.11162	10.3
184.07307	12.5
187.26747	2.8
193.12230	15.8
205.89444	2.7
261.22025	9.8
267.15857	54.5
278.69229	2.5
330.06305	2.7
335.25708	54.2
384.97601	2.3
453.33624	4.0
453.39331	3.2
466.20941	3.1
497.30859	2.7
527.37073	47.3
545.38440	46.4
563.39160	3.9
759.42432	10.8
760.43237	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.3
55.01863	14.2
55.05503	44.2
57.03430	23.6
57.07051	1.6
61.02917	3.0
66.91493	1.4
67.05145	2.8
67.05494	73.2
69.03407	11.2
69.07050	31.7
71.04974	5.8
79.05477	79.4
81.03394	15.3
81.07041	100.0
83.04969	22.2
83.08598	18.3
85.02879	6.1
85.06527	3.1
91.05454	43.4
93.07024	69.9
94.12270	1.6
95.04955	22.7
95.08590	25.2
97.02842	2.8
97.06500	21.2
97.10157	35.0
99.04443	2.2
99.08097	2.1
100.75935	1.8
103.05498	1.7
105.07008	32.7
105.56985	1.4
107.04953	15.0
107.08579	58.9
109.06517	12.4
109.10146	15.8
111.04401	14.7
111.08069	7.2
117.06989	20.8
119.08561	33.3
121.06464	10.4
121.10130	21.9
123.08037	23.5
123.11656	2.7
125.09608	24.3
129.06978	8.6
130.07800	2.0
131.08565	17.1
133.06432	3.1
133.10112	19.7
135.08041	8.7
135.11670	51.1
137.09581	6.2
141.06952	1.5
143.08562	8.6
145.06427	2.7
145.10109	28.0
147.08022	11.8
147.11678	7.7
149.09583	7.7
153.09064	2.9
153.12706	6.1
156.39020	1.5
157.02405	1.5
157.10107	5.9
157.96873	1.5
159.07977	2.1
159.11636	3.1
161.09624	12.6
161.13193	1.5
163.11172	21.0
169.10088	2.1
171.11615	2.2
173.09601	5.4
175.11209	3.3
181.12198	14.7
185.13229	1.8
185.30725	1.6
189.11215	12.0
191.10622	7.2
193.12277	1.9
223.13223	2.7
227.12718	15.7
245.18852	2.2
255.15813	61.0
273.18457	29.7
283.15329	3.3
291.19498	47.5
309.20432	3.1
345.89087	1.7
347.22012	7.4
365.23206	23.8
383.24155	2.9
425.24948	5.5
433.06570	1.7
484.90598	1.8
527.33588	12.4
545.34613	85.5
546.34930	2.5
563.35736	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05502	20.2
57.03431	4.9
59.04957	2.1
61.02903	12.4
67.05502	18.9
69.03403	3.6
69.07063	15.7
70.69791	2.2
79.05476	24.3
81.03418	9.4
81.07046	45.0
83.08589	4.5
85.02895	11.5
85.06510	2.9
91.05460	18.8
93.07017	22.1
95.04950	9.2
95.08576	17.2
97.02892	8.7
97.10152	10.2
105.07020	21.4
107.04916	5.1
107.08575	13.4
109.06504	5.2
109.10152	11.0
111.08025	2.8
117.07004	15.2
119.08565	23.8
121.06505	12.2
121.10118	10.6
123.08060	11.4
125.09578	3.5
127.03915	3.0
129.07016	4.0
131.08563	13.0
133.06541	2.9
133.10132	9.5
135.08041	9.3
135.11601	3.4
137.09578	3.2
143.08571	11.1
145.10121	16.9
147.08054	11.8
147.11687	5.0
149.09630	10.1
157.10022	5.2
159.08041	2.7
159.11610	4.3
161.09633	10.3
163.11119	4.6
165.09029	10.8
173.09596	2.9
195.46210	2.3
216.44566	2.1
231.52397	2.7
236.14894	3.9
253.47261	2.5
255.17342	3.9
273.18463	23.9
291.19424	33.1
365.23233	18.2
383.19644	13.8
401.20807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01868	1.1
55.05510	2.2
57.03436	3.3
61.02913	6.2
63.27411	0.5
67.05496	7.1
69.03419	2.8
69.07055	2.5
71.04964	0.6
73.02886	4.0
79.05479	7.7
81.03427	2.3
81.07048	6.2
83.80520	0.5
85.02890	4.8
91.03939	3.9
91.05464	7.2
93.07024	8.2
93.07479	0.4
95.04971	3.3
95.08611	3.5
97.02879	5.0
101.02381	3.0
105.07007	6.0
106.25522	0.5
107.08606	3.3
109.10154	1.1
117.07095	1.0
118.56448	0.5
119.08569	3.8
121.10147	2.6
123.08091	0.6
127.03940	1.2
129.07007	1.0
131.08572	0.9
133.10143	2.6
135.11668	1.1
143.08563	0.9
145.10126	2.0
147.11703	2.8
171.11702	1.2
185.04269	2.1
203.05350	0.9
243.08339	4.0
247.13068	2.2
301.09082	0.7
320.60751	0.6
348.52878	0.6
355.13962	0.6
465.20880	12.9
535.28516	6.8
537.23004	2.0
621.33191	0.8
759.42804	100.0
760.43182	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	760.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.7
55.05507	26.2
57.03447	9.5
61.02904	16.5
64.34611	2.5
65.39007	2.3
67.05492	30.8
69.03408	6.4
69.07057	19.8
71.05003	2.7
73.02893	5.8
79.05112	2.8
79.05486	37.7
81.03391	13.5
81.07039	62.9
83.04950	4.6
83.08595	11.7
85.02900	22.2
85.15816	3.1
91.03934	11.7
91.05456	34.1
93.07034	32.4
95.04935	23.0
95.08594	16.5
97.02846	11.7
97.10110	6.9
99.04483	3.4
105.07025	32.4
107.04950	14.8
107.08572	21.6
109.06508	6.1
109.10183	20.0
111.04490	3.1
111.08112	3.4
115.05403	4.2
117.06990	19.8
119.08556	41.2
121.06486	14.9
121.10107	16.7
123.08023	18.3
123.11668	2.9
124.11743	2.6
125.09627	5.2
127.03865	3.1
129.06985	6.3
131.08556	17.3
133.06461	5.4
133.10095	6.4
135.08052	13.8
135.11691	4.2
137.09573	5.9
137.74921	2.8
143.08516	15.8
145.10092	24.6
147.08046	23.2
147.11656	5.5
149.09636	12.1
157.10031	4.8
159.11618	3.8
161.09590	16.4
163.07462	3.6
163.11134	10.3
165.09050	21.0
171.11665	6.4
175.07480	3.5
175.11119	3.9
230.02321	3.2
255.17378	3.0
273.18417	37.0
291.19489	61.1
365.23169	38.4
383.19635	24.7
401.15900	4.2
401.20871	100.0
527.26312	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	759.3922
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
55.05505	6.7
57.03432	3.1
61.02908	8.7
67.05492	15.0
69.03417	3.1
69.07074	10.3
73.02896	2.7
76.56348	1.3
79.05464	13.5
81.03428	5.5
81.07038	17.8
83.04967	2.7
83.08611	1.5
85.02895	6.3
91.03964	1.9
91.05456	11.9
93.07013	17.1
95.04943	2.0
95.08600	5.5
97.02880	6.3
101.02384	1.5
105.07027	13.5
107.08588	7.6
107.39475	1.4
109.06522	3.0
109.10145	5.8
117.07011	3.2
119.08579	6.6
121.10123	5.4
127.03893	1.3
131.08569	3.4
133.10138	6.9
135.11665	2.6
137.09615	1.8
143.25369	1.6
145.10155	8.1
149.13110	1.9
163.11177	5.4
181.07712	1.7
222.98767	1.6
226.79884	1.4
228.66046	1.3
243.08368	1.9
315.19339	8.4
467.18869	10.3
498.53482	1.5
499.52402	1.6
533.27094	6.5
544.36670	2.3
562.37860	1.9
759.39081	100.0
760.39447	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	758.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01862	1.3
55.05507	21.6
56.34776	1.2
57.03439	7.7
57.03660	0.8
57.07051	2.1
61.02917	2.5
65.03900	1.6
67.05494	69.3
69.03417	2.1
69.07051	14.0
71.02339	0.9
71.04977	17.8
79.05476	39.2
81.07041	100.0
82.07371	1.1
83.04964	4.4
83.08603	6.4
85.02891	1.8
85.06532	7.2
86.09674	1.5
91.05459	30.9
93.07022	40.9
95.04937	4.7
95.08588	32.8
95.60801	0.9
97.02889	1.5
97.06522	2.5
97.10186	1.1
97.64087	1.0
105.07020	19.1
107.08578	23.3
109.10151	15.3
117.07002	5.6
119.08575	11.7
121.10107	16.3
123.11684	14.4
129.06894	1.6
131.08521	10.8
133.10107	19.4
135.10797	1.2
135.11661	11.5
145.10083	4.5
147.11678	4.9
149.13243	4.9
151.11171	6.6
157.10159	1.3
159.11668	4.3
161.13280	1.6
173.13277	2.3
184.07307	4.2
187.13271	2.5
187.14827	1.1
211.44531	1.0
301.20059	9.9
335.25739	20.0
365.66199	1.2
503.37299	55.1
504.37173	1.2
517.38654	1.4
529.38977	7.5
561.41425	69.4
732.66541	1.5
758.42511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03943	6.8
55.01857	5.7
55.05236	1.2
55.05506	34.1
57.03430	25.0
57.07053	3.3
61.02904	5.8
62.00214	0.7
65.03920	2.2
67.05493	63.6
69.03416	5.4
69.07057	20.0
71.04980	7.2
73.02880	1.6
79.05478	74.2
81.02929	2.1
81.03403	58.4
81.07040	72.7
83.04966	19.2
83.08604	25.1
85.02415	1.5
85.02889	26.0
85.03369	1.8
85.06538	4.2
91.05463	100.0
92.09242	1.3
93.07024	74.3
95.04948	34.8
95.08585	34.2
97.02881	6.3
97.06527	7.7
97.10137	7.1
99.04391	1.2
99.08105	3.1
103.05467	2.1
105.07014	94.7
107.04935	11.1
107.08585	40.3
109.06510	10.4
109.10140	14.9
111.04411	1.8
111.08067	8.6
113.05978	1.9
115.05413	3.4
117.07006	24.9
119.08559	75.5
120.08853	1.0
121.06490	2.1
121.10124	28.4
123.08044	5.5
123.11660	3.2
124.99999	1.3
125.09562	1.7
128.06226	3.4
129.06985	29.4
131.08549	38.5
133.06442	4.7
133.10112	47.1
135.08055	1.4
135.11647	15.1
137.09546	4.0
141.06993	2.0
142.07750	6.2
142.54761	0.9
143.08565	12.2
145.10109	20.5
147.08047	3.9
147.11679	46.6
149.09595	10.3
149.13242	6.9
155.08519	3.9
156.09210	1.0
157.10106	21.5
159.11664	16.6
160.29318	1.0
161.09660	1.2
161.13237	16.4
162.65598	1.1
163.11157	1.7
163.14784	1.6
165.12697	1.6
167.08505	1.6
169.10052	4.5
171.11639	12.7
173.13182	11.2
175.11168	15.3
175.14804	9.5
181.10042	1.9
182.05569	0.9
183.11649	4.5
184.07349	1.5
185.13159	10.0
187.14841	1.2
189.11259	1.2
189.16429	1.2
193.12219	28.1
195.11667	1.5
197.13234	3.9
199.14790	5.2
209.13400	1.1
211.13240	37.5
215.17885	1.1
217.15915	0.9
223.14688	1.2
227.12692	1.3
229.14261	1.1
231.21022	1.9
241.19466	13.1
257.19070	3.6
259.20523	43.9
265.01404	1.0
267.15817	15.1
269.17441	1.4
283.15332	4.4
285.16913	45.9
315.22995	5.1
333.24158	38.3
334.24731	1.0
351.25485	1.0
357.37088	1.0
371.25647	1.0
385.23447	1.0
397.55090	1.2
415.29602	1.4
433.30838	4.4
451.31946	6.5
469.32645	4.1
507.34769	1.2
515.37311	3.8
525.35803	26.7
543.36719	67.5
561.37262	1.9
576.91077	1.0
651.38715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01864	7.3
55.05505	39.9
57.03426	31.8
57.03653	3.1
57.07045	4.1
61.02921	6.9
65.03923	3.7
67.05494	100.0
69.03416	5.7
69.07063	33.8
79.05475	88.2
81.03394	46.1
81.07040	96.3
83.04980	23.3
83.08601	17.1
85.02903	8.4
85.06541	3.7
91.05459	51.5
93.07023	91.0
95.04967	16.5
95.08582	77.1
97.02876	12.0
97.06528	3.9
105.07015	46.2
107.04944	18.6
107.08582	44.3
109.06528	6.0
109.10144	29.5
111.04440	21.0
116.56506	3.1
117.07001	22.6
119.08523	26.5
121.06516	5.7
121.10120	34.5
123.11710	7.5
126.73428	3.7
129.07025	4.3
131.08546	33.0
133.06482	4.9
133.10115	18.1
135.08075	6.2
135.11676	28.7
136.43672	3.3
145.10103	24.9
147.11694	7.1
149.09636	15.1
149.13348	3.7
155.08574	4.9
158.46942	3.3
159.11673	5.3
163.11169	15.2
173.13225	7.2
181.12177	5.4
184.07310	4.4
191.10669	6.3
209.11758	16.9
227.12677	5.2
239.96326	3.4
243.21024	4.4
244.12578	3.6
261.22009	13.5
283.15253	36.5
301.16418	7.1
335.25726	71.9
525.35620	13.2
529.35144	7.0
543.36523	57.2
561.37915	28.8
648.80072	3.7
655.09729	3.9
758.42511	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	757.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05497	1.8
57.07056	2.1
61.02906	2.4
65.65559	1.6
67.05494	4.1
69.03432	1.7
69.07041	2.3
71.08611	2.5
73.02870	2.1
79.05472	7.6
81.07040	3.8
83.08592	2.1
85.02882	4.0
91.03952	3.3
91.05461	3.9
93.07021	2.3
95.08579	2.7
97.02895	2.5
98.87369	1.9
105.07008	2.2
110.90775	2.0
129.55931	1.8
130.95888	2.2
163.42963	1.9
179.33685	2.1
184.07399	2.7
185.96815	2.2
266.38489	2.1
274.09311	2.2
283.15097	3.2
291.85754	1.9
298.70258	2.4
497.30905	3.6
501.23273	13.2
585.45496	3.3
717.05389	2.2
757.46912	100.0
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
53.00294	2.4
53.03930	4.5
54.41888	1.4
55.01861	9.4
55.05505	29.0
57.03432	21.4
57.07056	2.6
59.04989	2.5
61.02906	11.1
64.23151	1.9
65.03913	2.6
67.05495	100.0
69.03412	3.9
69.06767	2.0
69.07059	29.9
69.50138	1.6
71.04957	8.0
79.05476	78.8
81.03393	10.7
81.07042	81.8
83.04970	15.9
83.08608	8.9
85.02872	9.2
91.05454	61.7
93.07026	76.1
95.04950	16.8
95.08592	60.4
97.02865	11.6
97.06509	10.7
97.10145	3.4
99.04459	2.4
105.07013	37.5
107.04945	18.1
107.08588	46.2
107.27230	1.9
109.06486	7.4
109.10138	31.5
111.04433	13.1
111.08050	4.1
113.05978	2.4
117.06994	21.9
119.08569	36.6
121.06548	5.9
121.10133	32.1
123.07999	2.6
123.11668	7.6
125.09603	2.2
129.06960	4.1
130.07689	2.0
131.04900	1.8
131.08566	31.0
133.06493	2.7
133.10100	23.4
135.08049	4.4
135.11671	23.9
137.09573	3.1
141.06914	2.4
143.08519	6.9
145.06459	2.9
145.10100	28.8
147.08086	3.9
147.11676	10.6
149.09581	8.0
149.13206	4.5
155.08501	6.8
157.10136	4.4
159.11650	11.6
161.09558	2.3
161.13289	3.9
163.11150	17.5
163.14763	2.4
169.10042	3.0
171.11613	3.8
173.09633	6.8
173.13211	4.4
175.10992	2.5
184.07263	3.5
185.13245	4.1
187.14783	2.4
191.10657	3.9
209.11705	15.3
215.62531	1.9
227.12721	3.7
229.14273	1.8
236.14790	3.2
259.20367	2.1
261.22061	3.7
273.22079	3.0
283.15317	50.5
301.16492	4.2
315.22986	2.8
335.25711	39.1
353.83386	2.0
433.30679	3.0
451.31894	10.2
469.32794	8.0
505.61383	2.3
525.35510	13.5
541.28442	2.0
543.36737	85.4
561.37579	26.1
715.23767	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	757.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
57.03428	2.0
57.07071	2.8
61.02893	2.2
64.33583	1.9
66.90107	1.7
67.05492	8.1
67.39519	1.8
69.07064	2.2
74.72369	2.0
79.05477	4.3
81.03411	1.9
81.07046	8.5
83.08591	2.2
85.02895	7.5
91.05485	2.7
92.80531	2.0
107.08572	2.4
109.88380	1.8
113.84756	2.4
122.24403	1.9
184.07356	3.8
243.44099	2.0
283.15210	3.5
389.26602	2.0
439.87769	2.1
441.21152	2.3
497.30804	4.2
501.23053	9.6
647.40698	2.3
757.46887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.2
53.03943	1.2
55.01875	1.2
55.05508	2.2
57.03424	2.2
57.07057	0.2
59.57304	0.2
61.02914	5.0
64.64178	0.2
67.05491	7.2
69.03414	2.9
69.07057	3.7
71.01351	0.4
71.04983	0.3
73.02906	3.2
79.05475	7.1
81.03405	3.5
81.07043	6.9
83.04985	1.3
83.08595	0.5
85.02892	4.5
87.04424	0.3
91.03945	2.3
91.04435	0.2
91.05463	6.4
91.05998	0.4
93.07021	6.0
95.01321	0.4
95.04945	2.2
95.08594	4.5
97.02873	4.3
97.06537	1.2
97.10154	0.5
99.04449	0.4
99.08100	0.3
101.02387	1.6
105.04498	0.3
105.07014	6.1
107.04925	1.7
107.08562	2.2
109.02914	0.3
109.06529	1.2
109.10145	1.3
117.06988	1.9
119.08570	3.7
121.10120	0.4
127.03930	1.1
129.07010	1.3
131.08563	1.6
133.10126	4.4
135.08035	0.4
135.11690	0.5
143.08627	0.3
145.10057	1.7
147.08018	0.2
147.11670	3.3
149.09634	0.4
149.13303	0.2
151.11299	0.3
159.11708	1.0
161.09755	0.2
161.13284	1.0
163.11162	0.4
169.10011	0.3
170.80145	0.2
171.11723	1.3
179.14311	0.9
181.10132	0.2
185.04259	0.5
189.12755	0.4
203.05258	0.4
224.03882	0.2
228.68758	0.3
243.08292	3.1
247.13136	1.3
275.20084	0.5
281.17383	0.4
299.14932	1.2
303.15793	1.0
315.19205	4.8
335.25873	1.2
336.26361	0.4
371.22137	1.1
465.20859	10.8
533.27185	8.5
533.34937	0.4
757.41180	100.0
758.41400	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	757.2182
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03937	0.1
54.81972	0.1
55.01867	0.2
55.05500	0.2
57.03421	1.7
61.02910	0.3
68.99780	0.3
69.03421	1.4
71.04610	0.2
71.04980	7.1
75.04457	0.2
81.03398	0.8
83.04964	0.4
85.02892	9.6
97.02873	1.0
107.04936	0.2
109.02838	0.2
111.00791	0.7
111.04440	0.3
121.02850	1.6
127.03895	0.9
129.05449	0.7
133.02814	0.3
135.04414	0.3
137.02299	1.2
145.05000	0.2
147.04362	0.4
150.12578	0.2
153.01790	2.3
163.03856	0.3
165.01765	1.4
174.18571	0.2
183.02882	0.4
185.06017	0.2
213.05383	1.2
231.06587	0.3
241.04875	0.8
245.04454	0.2
258.05173	0.7
259.06082	0.2
269.04355	0.2
287.05441	100.0
288.05728	1.1
441.53607	0.2
449.10712	17.0
485.23819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01864	0.5
55.05507	0.7
55.41125	0.5
66.46443	0.4
67.05491	0.9
68.02604	0.5
68.99765	2.0
69.03416	0.7
69.07050	0.8
69.83327	0.4
70.36648	0.4
79.05473	1.0
81.03385	2.5
81.07026	2.2
85.02908	0.8
91.05464	5.8
93.07058	0.5
95.04939	0.9
95.08595	1.0
97.02850	0.5
97.06490	1.0
103.05447	0.8
105.07033	0.9
107.04939	2.6
111.04396	0.9
115.05455	0.9
119.04922	11.5
119.08560	1.0
121.10111	0.5
123.04422	5.5
127.03879	0.9
131.04897	2.1
131.08569	0.5
133.10118	0.6
135.04398	6.6
137.02324	8.6
143.04956	0.5
147.04381	28.8
149.05971	1.1
157.02838	0.5
159.04440	1.2
161.05928	0.9
163.03877	5.3
169.06506	0.9
171.04376	1.0
173.05911	0.6
175.03888	8.6
177.05470	7.3
181.06522	0.5
185.05937	1.0
187.03848	5.2
189.05365	0.5
197.06020	3.4
199.03934	2.1
199.07410	0.6
203.03363	8.7
205.12131	0.6
213.05542	0.6
215.03336	3.1
217.04881	0.8
219.02910	0.6
221.05891	3.1
225.05533	0.7
227.03381	6.6
229.01326	1.1
229.04907	0.8
231.06377	0.9
239.06973	1.9
243.02812	5.0
243.06346	0.8
245.04478	2.9
247.02277	0.6
249.05470	2.4
250.06250	0.7
253.04892	0.9
255.02859	1.2
255.06479	6.8
259.09647	0.7
261.03903	5.9
267.06415	8.0
271.02319	100.0
272.02637	1.1
273.03867	27.7
279.06506	0.6
289.03363	13.0
289.08279	0.8
313.08502	0.9
331.09549	0.6
349.07224	1.1
359.09116	0.6
361.07022	1.1
365.10229	0.6
375.08911	0.8
377.10214	9.6
381.09686	0.7
391.08041	49.2
393.09604	8.3
425.66541	0.5
501.11227	0.6
510.27393	0.6
516.26245	0.5
527.09753	1.8
603.71857	0.7
619.12030	1.2
637.13208	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
53.84718	4.1
55.01864	8.6
55.05503	29.5
56.51610	4.1
57.03429	10.2
67.05499	48.1
69.03427	5.0
69.07050	17.7
79.05482	56.3
81.03407	53.4
81.07056	60.9
83.04971	19.0
83.08593	11.2
85.02905	22.3
91.05472	65.8
92.63461	4.0
93.07021	57.9
94.64165	4.0
95.04967	31.8
95.08569	34.2
97.06551	19.9
97.10174	7.5
99.45354	3.8
105.07019	62.0
107.04966	18.2
107.08588	33.2
109.06512	19.7
109.10162	9.5
111.08046	6.2
117.07007	10.9
119.08582	37.0
121.06471	10.8
121.10141	21.5
123.08119	5.8
123.11767	4.9
129.07014	18.9
131.08522	36.7
133.10120	30.7
135.08046	7.2
135.11703	9.7
137.09656	4.6
145.10133	23.1
147.11688	21.8
149.09561	9.4
157.10135	16.7
159.08154	5.1
159.11711	18.6
163.11203	6.4
175.11208	10.9
184.07289	9.9
193.12146	18.9
197.13460	4.7
211.13293	19.3
257.19040	5.9
267.15872	8.4
275.20068	57.7
278.19916	5.1
285.17010	6.4
315.39301	4.6
349.23553	37.9
541.35248	77.6
559.36334	100.0
577.36731	6.4
687.33942	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	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01866	18.1
55.05507	49.5
57.03216	1.5
57.03433	25.8
57.07068	3.5
59.04979	3.0
61.02922	3.4
61.64578	1.3
65.03903	2.0
67.05498	56.7
69.03419	3.5
69.07055	22.1
71.04974	8.7
73.02876	2.1
79.05476	87.2
81.03405	18.9
81.07039	65.7
83.01326	10.8
83.04977	14.9
83.08614	19.2
85.02882	9.8
91.03921	2.1
91.05463	90.7
93.07025	100.0
95.04956	15.9
95.08101	1.9
95.08596	41.7
97.02866	7.8
97.06523	7.9
97.10153	7.0
97.70592	1.7
100.52124	1.4
102.72955	1.6
103.05451	1.7
105.04482	1.5
105.07014	97.3
107.04927	11.0
107.08585	44.7
109.06519	16.5
109.10155	14.6
111.08079	2.7
115.05418	2.4
116.06163	1.6
117.06992	39.5
119.08559	70.8
121.06477	6.3
121.10117	28.9
123.08065	11.5
123.11678	2.5
125.09561	3.5
129.06964	19.3
131.08542	33.0
133.09183	2.7
133.10110	51.1
134.57820	1.9
135.08018	6.4
135.11658	27.3
137.09578	1.7
143.08549	18.4
145.06502	1.9
145.10114	42.5
147.11659	45.1
149.09593	6.0
149.13248	9.9
153.12721	3.3
155.08551	2.3
157.10121	15.6
159.11653	23.2
161.13229	26.5
163.11140	30.4
169.10106	2.9
171.11633	15.1
173.13222	12.7
175.14810	9.1
183.11674	2.8
185.13234	15.7
191.10503	2.1
195.11725	2.6
199.14833	3.7
209.11600	3.6
213.16379	2.5
227.12712	9.3
231.21202	3.7
241.19463	18.0
259.20532	57.2
267.23322	1.6
283.15350	53.1
297.22046	7.6
315.23108	6.4
333.24213	36.9
341.92148	1.7
431.29373	2.3
449.30469	6.2
467.31522	2.5
484.82455	1.6
485.32718	1.9
513.36035	1.8
523.34137	12.5
541.26770	2.8
541.35101	75.6
559.36035	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34501	3.4
55.05507	23.4
57.03418	16.5
57.04041	4.7
60.73294	4.4
62.62113	4.7
67.05492	60.2
69.03422	7.5
69.07049	28.8
74.59195	4.3
79.05490	53.1
81.03396	48.1
81.07047	70.3
83.01356	4.6
83.04986	27.2
83.08621	18.6
85.02898	21.3
91.05469	51.5
93.07030	45.0
95.04939	32.9
95.08598	35.7
97.06477	5.6
105.07011	70.1
107.04948	10.0
107.08579	30.2
109.06518	10.2
109.10176	10.5
111.08074	8.6
117.07007	9.2
119.08540	37.8
121.06503	19.9
121.10106	23.7
123.11659	4.9
129.06973	9.8
131.08560	38.4
133.06537	6.3
133.10110	31.7
135.08028	5.0
143.08563	8.8
145.10129	23.7
146.10536	4.9
147.11676	33.0
149.09604	19.1
157.10091	8.9
161.09589	5.4
161.13333	6.6
163.11113	17.2
173.13281	7.4
175.11140	18.2
184.07355	6.6
193.12271	17.2
211.13258	9.6
257.18854	6.4
267.15915	9.5
275.20059	66.3
285.17062	18.3
301.96518	5.7
302.00125	4.5
349.23712	79.0
492.94217	5.2
541.35095	76.4
559.36249	100.0
572.12048	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	6.1
53.03937	3.8
55.01873	7.1
55.05507	34.9
57.03432	20.4
57.07064	3.3
58.60971	0.5
59.04984	4.3
61.02665	0.6
61.02917	8.2
65.03934	2.3
67.05495	71.4
69.03416	4.9
69.07058	16.8
71.01336	2.6
71.04974	3.3
71.08621	0.6
73.02902	4.0
79.05479	48.4
81.03416	7.0
81.07043	77.1
83.04963	3.5
83.08610	21.8
85.02904	6.7
85.06524	3.6
91.03931	1.1
91.05466	46.5
92.09402	0.5
93.07029	60.8
95.04961	11.1
95.08591	45.7
97.02876	9.3
97.06509	6.3
97.10152	4.0
98.00780	0.5
99.00803	35.5
99.01454	1.2
99.04440	1.2
99.08063	1.0
100.05473	0.6
103.05468	3.3
104.16023	0.6
105.04478	0.8
105.07021	39.4
107.04950	10.9
107.08582	32.8
107.09294	1.3
109.02870	16.2
109.06493	4.4
109.10146	20.6
111.04424	2.9
111.08072	7.4
115.03900	4.7
115.05489	0.6
117.06994	9.3
119.04939	0.6
119.08564	24.2
119.09393	1.2
121.06495	13.7
121.10126	18.4
123.04422	3.2
123.08051	3.5
123.11687	7.8
125.09602	1.0
127.03896	5.2
128.06210	2.6
129.06966	2.4
131.08551	12.6
133.06491	3.0
133.10112	63.2
135.08038	4.1
135.11676	12.9
137.05959	2.7
137.09608	2.5
137.13246	0.9
139.07504	5.2
143.08537	8.3
145.06477	1.0
145.10144	7.8
147.07994	2.3
147.11612	4.3
149.13263	6.1
151.11182	17.2
159.11664	6.9
161.09599	28.4
161.13242	4.8
163.11205	0.8
163.14769	3.4
165.09157	0.9
169.10023	0.7
171.08034	6.7
171.11597	0.8
173.13222	5.4
175.14809	0.9
177.16479	0.7
179.10638	13.1
187.14821	2.4
189.09059	12.4
197.11691	3.9
201.16318	0.8
207.10089	4.4
225.11194	15.9
243.12248	2.9
243.21014	4.5
261.22092	16.4
266.19235	0.6
281.13766	2.8
299.14850	100.0
300.15247	0.9
314.53857	0.6
315.23181	2.2
317.24670	2.7
335.25760	77.7
336.26178	0.6
449.30020	1.0
467.31525	4.8
485.32330	2.5
513.35541	1.0
515.37152	1.3
531.36469	1.1
541.35077	10.8
559.36224	37.8
577.37085	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	5.6
53.03928	3.9
55.01863	5.6
55.05504	35.8
57.03428	23.2
57.07061	4.4
59.04980	2.8
61.02914	7.2
65.03933	1.3
66.49296	0.6
67.05493	72.9
69.03420	4.2
69.07054	15.1
71.01328	1.5
71.04970	3.0
71.08595	0.8
73.02900	1.7
79.05472	51.8
81.03412	6.6
81.07038	75.5
83.04961	5.7
83.08607	19.7
85.02885	6.1
85.06535	3.3
91.03930	1.3
91.05462	42.8
92.09399	0.8
93.07022	69.3
95.04935	10.7
95.08579	50.5
96.59231	0.6
96.91885	0.8
97.02862	9.7
97.06505	6.1
97.10153	4.5
99.00793	29.5
99.04462	0.9
99.08060	1.7
103.05466	1.4
105.04498	0.9
105.07014	34.8
107.04948	5.7
107.08578	30.6
109.02866	15.2
109.06505	6.8
109.10135	21.6
109.39690	0.7
111.04358	1.0
111.08090	5.2
115.03918	4.4
117.07001	8.7
119.08564	21.1
121.06487	12.5
121.10118	18.9
123.04350	1.2
123.08062	2.9
123.11673	7.0
125.09624	0.8
127.03839	6.1
128.06244	1.0
129.06943	1.2
131.08536	14.0
133.06490	1.2
133.10107	57.2
135.08040	0.8
135.11670	13.6
137.05954	1.6
137.09602	1.4
137.13280	1.5
139.07510	3.9
143.07597	0.9
143.08528	7.8
145.10114	10.7
147.08049	1.3
147.11627	6.6
149.13231	6.8
151.11159	16.2
159.11617	5.9
161.09590	26.3
161.10861	1.3
161.13255	3.9
163.11166	0.9
163.14774	3.5
165.09035	0.8
171.08047	6.6
173.13245	5.6
175.14813	1.6
177.12634	0.7
179.10670	11.6
185.13326	0.8
187.14781	2.7
189.09059	9.7
197.11740	3.2
207.10153	3.3
225.11174	13.9
243.12180	1.7
243.20987	5.9
261.22073	18.0
279.23193	1.0
281.13864	2.5
299.14847	79.0
315.23141	3.3
317.24695	3.2
335.25735	100.0
336.25934	1.6
401.13251	0.8
449.30872	1.0
467.31155	5.5
485.32510	2.7
513.35583	3.2
515.37360	1.0
531.36755	2.9
541.35016	11.3
559.36218	56.0
560.36731	1.0
563.87274	0.8
577.37341	1.5
768.50964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
57.07083	7.3
61.02909	5.3
67.05479	2.8
71.08653	3.3
71.72327	2.0
73.02894	3.6
79.05470	3.5
81.03430	5.4
81.07021	9.8
85.02885	3.5
91.05482	2.9
95.08604	5.5
97.02861	5.0
107.04691	2.1
140.50507	2.2
145.17464	2.5
166.32875	2.3
191.10692	2.3
196.45572	2.0
221.31270	2.2
245.88254	2.2
256.25424	2.4
280.24265	2.5
281.13681	4.9
303.68146	2.8
389.96896	2.3
457.76468	2.5
497.30872	4.7
499.21603	12.2
504.55869	2.8
634.30096	2.3
650.40210	2.9
755.45398	100.0
766.75897	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	756.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.5
55.05511	30.6
57.03425	18.6
67.05495	33.2
69.03416	6.2
69.07046	13.8
71.04968	3.2
72.56889	2.3
73.02932	2.5
79.05488	39.1
81.03401	100.0
81.07037	37.8
83.04968	9.7
83.08604	26.9
85.02872	5.2
87.00826	3.0
90.96884	2.6
91.05462	31.6
93.07019	41.4
94.29440	2.7
95.04942	32.3
95.08603	25.1
97.02898	5.3
97.06519	15.8
97.10146	25.7
99.04510	3.2
100.01742	2.4
105.07011	24.3
107.04934	22.8
107.08590	27.5
109.06516	14.8
109.10146	17.6
111.04423	4.7
111.08080	3.2
111.63909	2.5
115.07828	2.5
115.19868	2.6
117.07005	11.5
119.04993	2.9
119.08553	24.7
121.06496	17.6
121.10139	17.7
123.08047	4.0
123.11716	3.6
125.09566	21.8
129.07002	15.5
131.08542	24.3
133.06474	4.7
133.10146	11.9
135.08104	5.5
135.11719	10.6
137.02319	13.6
137.09557	2.6
143.08540	4.2
143.51180	2.8
145.06479	6.2
145.10118	5.0
147.08046	6.1
147.11684	15.9
149.09627	11.1
149.13211	2.7
153.09125	4.9
154.20372	2.7
157.10118	10.9
159.02763	2.6
159.07999	2.6
161.09578	3.3
163.03900	4.5
163.07968	2.5
163.11165	2.7
165.09077	6.0
171.11671	3.8
173.13217	3.9
175.11098	10.2
177.12825	2.5
189.11208	5.8
189.16173	2.8
193.12212	28.3
195.11684	3.4
201.16386	2.8
205.12138	3.5
233.15254	5.0
245.15785	2.8
267.15903	40.8
271.02530	3.6
273.14795	12.1
274.22882	3.0
284.98984	3.5
349.21704	5.8
367.22681	13.2
385.23715	26.4
403.24759	11.6
441.26279	10.2
459.27356	96.6
471.19742	2.6
477.28427	88.6
491.29950	12.5
513.45776	2.9
708.85840	2.9
767.78064	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	754.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
53.03931	7.2
55.01871	4.1
55.05505	25.0
57.03429	12.4
57.07050	2.1
65.03918	1.3
67.05490	55.6
69.03403	2.0
69.07055	17.9
71.04968	2.3
73.06554	1.3
79.05473	84.3
81.03391	6.9
81.07037	56.7
83.04967	12.7
83.08608	8.0
85.02869	1.6
85.06552	4.6
91.05460	100.0
92.08741	1.0
93.07021	89.0
95.04945	23.6
95.08582	38.5
97.06509	4.6
97.10154	4.1
99.08099	1.3
105.04446	4.0
105.07010	86.6
107.04946	9.8
107.08578	30.1
109.06509	6.3
109.10141	8.2
111.08086	1.2
115.05489	1.2
117.06990	19.5
117.64537	0.9
118.64188	0.9
119.08559	61.7
121.06485	1.6
121.10127	16.4
123.08050	5.6
123.11686	1.2
128.06244	2.4
129.06973	22.8
131.08534	21.8
133.06453	1.5
133.10109	34.5
135.08076	0.9
135.11681	12.0
137.09576	1.6
141.06993	1.4
142.07756	1.5
143.08559	14.0
145.10101	21.9
147.07965	1.8
147.11667	47.7
149.09601	1.5
149.13219	7.3
157.10136	6.8
159.11674	12.9
161.09602	4.0
161.13239	25.1
163.11186	1.5
169.10106	4.1
171.11656	22.5
173.13248	10.1
175.14825	6.6
177.12819	1.3
183.11728	2.4
185.13260	6.1
189.12747	4.2
195.11691	1.1
199.14859	5.0
207.13799	8.9
208.80794	1.1
213.16515	1.7
215.17938	1.1
217.19621	1.1
231.21117	2.4
241.19446	18.1
257.19031	1.5
259.20520	41.2
279.15778	9.4
281.17395	39.9
285.22079	1.4
315.23206	1.7
333.24185	28.7
359.10510	1.1
429.31461	1.3
447.32410	5.5
465.33682	6.6
483.34637	2.3
521.35748	1.4
539.37231	59.0
557.38269	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	754.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03941	3.1
54.22975	0.6
55.01870	9.6
55.05511	18.5
57.03439	6.2
57.07059	0.6
61.02896	1.0
65.03922	1.0
67.05499	24.8
68.99773	0.6
69.03414	1.1
69.07057	19.0
71.04992	1.0
79.05480	26.9
81.03400	7.8
81.07043	33.0
83.01334	3.9
83.04984	8.1
83.08618	5.4
84.94118	0.6
85.02901	1.3
85.06541	1.0
91.05469	37.7
93.07032	28.6
95.01321	4.5
95.04962	9.4
95.08594	17.1
97.06515	12.3
97.10159	1.3
99.04437	0.7
103.05472	1.1
105.07021	49.8
107.04951	13.1
107.08592	14.3
109.06504	4.5
109.10181	5.4
111.04443	0.9
111.08070	1.2
117.06997	10.7
119.08559	23.1
119.09389	1.1
121.06497	3.2
121.10148	6.7
123.08018	4.9
125.09656	1.0
129.06985	3.0
130.07787	0.8
131.08557	15.0
133.06496	0.8
133.10115	24.0
135.08061	2.8
135.11678	7.1
137.09608	1.1
139.07533	0.7
141.06943	0.6
143.08565	2.5
145.06468	1.0
145.10112	15.6
147.08083	1.1
147.11668	6.4
149.09613	2.9
149.13197	0.9
154.07747	0.6
155.08546	1.1
157.10190	1.2
159.11676	6.2
161.13229	1.5
163.11131	9.6
169.10074	0.9
171.11636	1.1
173.09639	0.9
173.13255	1.2
177.12837	1.4
179.14287	6.2
181.12222	0.7
187.11099	1.4
193.12244	0.6
219.17422	3.0
229.71227	0.7
270.12158	0.7
275.20047	24.3
283.15372	17.5
331.15741	0.7
349.23770	10.5
363.99487	0.7
496.67242	0.7
539.33447	1.4
557.34692	100.0
558.34937	3.4
771.98621	0.8
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
53.00295	1.7
53.03938	3.7
55.01862	8.9
55.05507	43.4
57.03213	1.5
57.03437	22.9
57.07062	8.2
58.48702	1.5
59.04964	2.2
61.02908	7.9
61.62016	1.4
65.03927	2.7
67.05143	4.1
67.05501	100.0
69.03414	3.8
69.07067	23.1
71.01318	1.8
71.04984	3.2
71.08634	3.0
75.32295	1.4
79.05484	76.4
81.03415	11.9
81.07044	86.8
83.04977	9.5
83.08613	18.3
85.02876	12.2
85.06511	1.5
86.09686	2.3
91.05470	43.8
92.08645	2.1
93.07033	75.3
95.04953	29.5
95.08594	55.6
97.02892	8.5
97.06527	3.8
97.10157	15.8
105.07021	30.8
107.05006	12.1
107.08589	40.9
109.06525	7.1
109.10136	26.7
111.08066	2.1
114.55415	1.6
117.07001	19.0
119.08549	19.3
121.06487	8.2
121.10106	20.4
123.08107	3.4
123.11723	3.5
125.09618	11.2
129.06982	3.0
131.08560	22.3
133.10144	10.0
135.08052	2.4
135.11711	6.8
143.08551	3.4
145.10091	14.1
147.11722	9.2
149.13289	4.1
157.10133	4.0
159.11658	12.6
161.13284	2.0
169.10109	3.6
173.11676	2.5
173.13173	3.2
177.12787	2.9
178.58897	1.9
184.07347	6.9
189.11215	7.3
205.12216	3.8
223.13306	32.7
227.12727	2.3
229.14288	3.7
261.22101	10.6
280.78705	1.9
297.16937	42.7
313.27170	3.4
318.06540	1.9
335.25760	52.0
389.10541	1.9
389.63733	1.9
489.35495	7.0
529.57977	2.2
539.36938	4.3
557.38226	48.9
610.95416	2.1
632.20331	2.0
715.59949	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	753.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
54.25285	3.0
55.01866	16.2
55.05497	21.4
57.03423	7.2
67.05495	27.8
69.07051	4.8
79.05476	50.6
81.03419	4.1
81.06596	5.4
81.07040	100.0
83.04965	15.4
83.08607	14.5
91.05467	27.6
93.07025	30.5
95.04970	15.5
95.08588	14.9
97.06525	4.1
97.10110	3.9
99.04469	2.8
105.07036	15.5
107.04953	7.4
107.08578	12.4
109.06500	44.1
109.10160	5.3
111.04434	5.6
117.07021	15.5
119.08557	31.2
121.06468	3.4
121.10100	6.5
123.08100	6.2
123.89881	3.5
125.09605	6.4
129.06979	3.4
131.08545	14.2
133.06494	4.8
135.11737	4.4
143.08549	4.4
145.10127	22.3
147.08034	13.7
147.11604	3.7
147.97559	3.5
161.09612	13.4
163.11154	14.7
181.12088	4.2
204.88658	3.3
257.32254	3.9
273.18414	19.3
283.15320	27.6
291.19449	50.8
347.22375	4.6
365.23303	6.1
555.33197	7.9
573.34180	39.7
682.29620	4.6
771.67102	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	752.603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.3
55.05474	1.4
57.03430	5.6
57.07064	5.3
58.06590	29.8
59.07367	10.9
60.08155	10.8
67.05490	3.4
69.07017	1.9
71.08624	3.1
75.04476	4.3
79.05472	3.0
81.07042	3.2
83.08575	0.6
84.08115	0.5
85.02877	2.8
85.10131	1.5
87.04454	3.7
91.05453	1.4
93.06999	2.2
95.04941	0.5
95.08587	3.4
97.06431	0.4
100.11213	0.7
103.03894	0.5
105.05457	0.6
105.07022	0.5
107.08565	1.3
109.10122	0.5
113.05969	0.6
117.06997	0.5
119.08498	0.5
121.10104	0.3
130.08594	0.8
131.06976	1.5
131.08490	0.5
144.10178	14.8
162.11246	5.2
172.45850	0.3
179.02353	0.4
200.12871	0.7
218.13922	0.8
236.14890	100.0
237.15118	0.7
252.89917	0.4
298.90927	0.4
313.27261	0.6
401.01682	0.4
405.63586	0.4
434.36261	0.7
456.36801	9.3
474.37820	16.9
475.38318	0.5
478.35251	3.8
496.36246	5.0
507.89185	0.4
734.59167	83.1
735.59875	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	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
53.03930	4.1
55.01857	1.7
55.05506	13.4
57.03431	24.1
57.07070	49.4
58.58118	0.6
61.02902	0.8
61.71421	0.6
62.72284	0.6
67.05493	21.2
69.03421	1.1
69.07059	11.6
71.04976	1.0
71.08247	1.3
71.08618	31.6
75.04477	0.8
75.28290	0.7
77.55173	0.6
79.05480	11.5
81.03406	98.9
81.07042	24.0
83.04973	6.2
83.08609	26.4
85.06544	0.9
85.10172	18.6
89.06026	1.8
91.04946	1.2
91.05464	17.7
93.07021	9.0
95.04955	25.6
95.08589	25.4
95.48199	0.7
97.02938	2.1
97.06509	1.1
97.10152	7.2
105.07037	14.7
107.04947	8.4
107.08596	5.1
109.06487	3.3
109.10162	13.2
111.04461	1.0
111.08054	5.6
111.11716	1.1
115.05447	1.0
117.06969	1.4
119.08566	14.4
121.06493	1.4
121.10099	7.0
123.04427	1.1
123.08043	0.9
123.11669	4.5
125.09595	1.4
129.07011	8.9
131.08557	9.8
133.06485	3.9
133.10112	5.1
135.08014	0.9
135.11647	1.2
137.09634	1.2
137.13184	0.7
145.10074	1.5
147.08060	2.8
147.11668	7.8
149.09604	4.8
154.50143	0.8
156.22325	0.8
157.10081	10.3
163.11142	1.2
165.12761	1.7
175.11159	10.3
193.12227	29.7
211.13158	1.5
239.23724	1.3
249.14648	1.4
250.16484	0.8
257.24619	1.7
267.15872	100.0
268.16125	1.5
311.41983	0.7
313.27322	96.6
434.30750	0.8
434.71265	0.9
505.38834	73.1
506.39087	0.9
523.39746	1.4
546.38489	0.9
547.39679	1.1
641.46735	0.7
737.76367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.8
53.03943	1.6
55.01855	1.4
55.05317	0.7
55.05513	12.1
55.92583	0.8
57.03168	1.4
57.03431	21.2
57.07069	44.6
58.89028	0.7
67.05494	22.2
69.03403	1.5
69.07064	10.3
71.04986	0.9
71.08618	31.5
73.09797	0.9
78.45052	0.9
79.05482	10.5
81.03403	94.0
81.07035	20.7
83.04969	4.9
83.08607	24.9
85.02882	1.6
85.10173	17.8
91.05466	16.7
93.07030	9.5
93.48338	0.8
95.04947	27.9
95.08591	27.4
97.02856	3.5
97.06554	1.3
97.10158	6.4
105.07020	14.3
106.00394	0.8
107.04946	7.5
107.08599	5.6
109.06519	3.5
109.10138	9.0
111.04420	1.7
111.08071	6.0
115.03673	0.9
117.07005	1.2
119.04948	1.3
119.08579	13.2
121.06508	1.4
121.10129	5.2
123.04344	1.4
123.08061	1.9
123.11702	3.7
128.74191	1.0
129.06985	10.9
131.08565	8.0
133.06490	3.5
133.10127	5.0
134.57561	0.9
142.07762	2.1
145.10104	4.0
147.08035	1.8
147.11674	8.6
149.09570	6.6
157.10086	10.6
157.72308	0.9
163.11270	1.0
165.12756	1.6
175.11198	11.4
178.84747	1.0
193.12238	27.1
239.23692	1.8
249.14752	1.5
257.24744	3.5
267.15869	94.6
309.17017	1.0
313.27341	100.0
348.79080	1.0
417.77847	1.1
505.38812	86.8
523.39008	1.7
547.39722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01857	6.5
55.05507	20.4
57.03419	11.3
61.02906	2.1
67.05194	2.0
67.05503	40.6
69.03415	2.9
69.07053	11.3
69.70333	1.5
71.04977	1.9
78.89805	1.3
79.05045	3.1
79.05475	54.4
81.03399	9.0
81.07039	43.0
83.04520	1.8
83.04962	15.3
83.08601	9.0
85.06507	1.6
91.05466	49.9
93.06439	1.9
93.07023	59.7
93.07566	3.4
95.04958	19.3
95.08576	24.9
97.06507	3.4
97.10124	3.3
103.05432	2.0
105.07015	44.7
107.04968	8.9
107.08591	21.8
108.64948	1.8
109.06517	8.0
109.10141	8.6
111.08049	2.0
117.07002	16.4
119.08582	27.3
121.06464	12.0
121.10126	11.2
123.08032	8.0
125.09566	2.0
128.06175	2.5
129.06992	14.3
131.08546	16.2
133.06517	2.8
133.10127	13.1
135.08052	7.6
135.11629	2.8
141.06990	3.0
143.08553	10.9
145.10117	17.2
147.08029	3.3
147.11649	29.6
149.09630	3.2
149.13310	1.6
155.08543	2.2
157.10112	4.1
159.11667	9.5
161.09624	4.2
161.13206	10.7
163.11163	6.3
171.11688	15.5
173.09601	2.6
173.13251	7.7
175.11139	2.2
189.12715	2.6
191.14270	2.4
207.13715	13.5
219.13849	2.2
221.64111	1.8
239.17842	2.1
247.20616	2.3
251.60774	1.7
257.18997	8.6
275.20016	42.3
281.17447	22.7
291.19617	3.0
293.21066	6.5
349.23581	26.8
366.23096	2.1
537.35608	2.1
555.36761	100.0
571.35730	2.1
572.36731	2.4
573.37463	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	751.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.3
53.03944	4.2
55.05504	29.1
55.33657	3.1
55.61424	3.0
57.03425	15.2
57.07069	91.4
61.02913	6.1
61.08834	2.9
67.05499	68.1
69.07062	30.4
71.08624	44.2
79.05482	54.3
81.07037	82.9
83.08610	23.1
85.10167	16.9
87.04466	4.2
89.63161	3.6
91.05470	51.2
92.08769	4.7
93.07027	65.0
95.08588	56.2
97.02874	3.9
97.10154	4.2
105.07017	73.0
107.08572	31.2
107.30026	3.8
109.10136	23.3
116.39025	3.4
117.06996	19.0
119.08580	55.9
119.55673	3.7
121.10111	17.4
129.06996	17.4
131.08530	32.0
133.10132	32.3
135.11694	7.0
143.08546	7.9
145.10109	20.2
147.11731	25.6
157.10141	15.4
159.11655	14.7
161.13226	19.7
169.10190	4.0
171.11688	7.9
172.26070	3.5
173.13193	16.9
175.14780	13.5
185.13199	3.7
187.14798	4.3
241.19438	26.1
259.20572	49.3
313.27362	100.0
333.24164	34.7
343.12537	3.5
499.09357	3.8
513.16003	4.1
571.46875	7.0
578.72845	4.5
585.60394	3.8
589.47888	33.1
640.23535	3.8
679.48877	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	752.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87307	0.8
53.03940	5.2
55.01873	14.6
55.05503	15.9
57.03424	4.3
65.03928	1.3
67.05492	35.6
69.07062	21.6
71.04985	1.6
76.56615	1.0
79.05047	2.0
79.05478	35.8
81.03396	7.5
81.07041	35.6
83.04964	10.5
83.08617	5.3
85.06520	1.2
88.85207	0.9
91.05463	48.3
93.07031	36.4
95.01319	5.3
95.04958	12.5
95.08586	23.5
97.06516	22.9
97.10142	2.2
97.24478	0.9
105.07019	52.0
107.04939	13.6
107.08569	13.3
109.06508	2.1
109.10161	4.2
109.83322	0.9
111.08059	1.4
117.06992	11.7
119.08569	28.3
121.06497	2.0
121.10115	2.3
123.08053	2.4
125.09621	1.0
126.32371	0.9
129.06934	7.8
131.08527	11.5
133.10127	25.0
135.11693	4.4
137.09636	1.6
139.07581	0.9
141.06946	1.2
143.08549	2.4
145.10117	11.8
147.10565	1.6
147.11661	19.7
149.09641	5.3
149.13216	1.6
151.11197	2.0
157.10130	1.7
159.11658	8.2
161.13202	7.7
163.11130	4.4
169.10127	1.6
169.87625	1.1
171.11650	10.3
179.14265	6.0
185.13208	1.1
187.11148	1.9
189.12773	1.7
207.13773	4.0
275.19995	25.2
279.15955	1.8
281.17349	23.1
349.23624	12.5
387.31180	1.2
458.94882	1.0
537.35333	1.5
555.36755	100.0
556.36371	1.3
573.37775	2.1
660.07538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.3
55.05486	1.0
57.03433	5.1
57.07068	5.3
58.06593	30.1
59.07373	9.8
60.00962	0.3
60.08153	8.3
67.05495	3.3
69.07031	0.5
71.08617	3.0
73.02881	0.3
75.04466	2.8
79.05473	2.4
81.07047	2.8
83.08577	0.5
84.08086	0.6
85.02911	2.5
85.10136	1.7
87.04453	4.2
89.13985	0.3
91.05472	4.3
93.05457	0.4
93.06993	1.9
95.04895	0.3
95.08599	3.3
97.06423	0.3
100.11172	0.4
102.05474	0.6
105.05458	0.5
105.07002	3.0
107.08554	0.3
109.10114	0.6
113.05971	1.1
116.10680	0.3
117.06966	0.6
119.08566	0.7
123.11671	0.3
129.06923	0.4
130.08601	0.6
131.07001	1.3
131.08510	0.4
133.10072	0.7
134.38707	0.3
144.10188	15.4
162.11218	5.7
167.36307	0.3
200.12747	0.5
218.13837	1.3
236.14894	100.0
237.15224	0.7
313.27405	0.7
369.30011	0.4
412.37616	1.3
456.36801	8.5
474.37869	16.0
476.33795	2.5
494.34772	4.5
610.16949	0.4
732.57617	90.0
733.57568	5.2
775.84143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81552	0.3
55.05476	2.1
56.11575	0.4
57.03419	4.9
57.07079	4.5
58.06591	33.7
59.07370	10.3
60.08151	8.9
65.03886	0.4
67.05480	3.5
69.07014	0.8
69.17060	0.4
71.08629	5.4
75.04465	3.1
79.05441	1.0
81.06995	3.0
83.08568	0.9
84.08129	0.9
85.02860	2.2
85.10127	0.6
87.04450	4.7
91.05437	2.0
93.05527	0.4
93.07014	0.6
95.08580	2.3
102.05493	0.7
105.06998	0.8
107.08539	0.7
109.10156	0.5
113.05948	1.8
119.08530	0.6
121.98274	0.5
123.11691	0.6
130.08601	0.6
131.06985	1.0
144.10175	15.0
156.82881	0.4
162.11234	5.9
164.25130	0.4
218.13869	1.0
236.14886	100.0
351.28311	0.5
412.37842	1.0
450.35867	0.9
456.36826	10.0
457.36447	0.5
474.37851	14.1
494.34805	2.9
512.35852	5.3
732.57507	11.0
733.57977	0.8
750.58636	71.2
751.59082	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	750.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72752	1.6
53.03929	2.5
55.01858	12.1
55.05507	23.2
57.03431	23.3
57.07068	69.4
59.04990	2.4
61.02917	9.2
65.47923	1.9
67.05486	46.7
67.05804	3.3
69.07052	19.1
71.01332	4.6
71.04984	4.7
71.08614	38.8
77.46171	2.2
78.36970	2.0
79.05471	35.3
81.03403	40.0
81.07039	58.9
83.01325	2.6
83.04971	17.4
83.08598	24.2
85.02887	11.2
85.06509	2.1
85.10175	22.1
87.04465	4.6
91.05463	25.1
92.09367	4.4
93.07031	43.5
95.04942	16.7
95.08580	48.8
97.02889	13.3
97.06516	11.8
97.10158	4.5
99.04391	2.2
105.07022	14.7
107.04947	29.9
107.08569	18.2
109.06511	13.8
109.10129	17.5
111.04433	42.9
111.08117	3.3
113.05961	2.1
113.29819	2.3
117.06986	19.4
119.08565	11.9
121.06490	12.8
121.10109	16.8
123.08049	12.6
123.11660	3.1
125.05986	9.1
129.06932	2.6
131.04939	2.2
131.08571	14.4
133.06369	2.4
135.08006	4.0
135.11667	14.1
137.09521	3.8
141.41498	2.0
145.10121	36.7
147.07982	3.8
153.12717	14.2
155.08534	5.4
163.11153	44.8
164.60413	2.5
167.74649	2.3
173.09634	11.7
181.12120	3.7
191.10706	9.8
209.11731	8.8
218.24365	2.4
223.13264	32.4
227.12663	4.6
241.14326	29.8
255.21284	2.6
257.24615	2.7
265.14319	11.9
283.15378	27.3
313.27338	100.0
315.17960	46.7
329.50708	2.6
349.77780	2.5
503.37112	13.6
521.38269	82.4
553.40869	66.6
564.25629	2.2
589.33173	2.6
663.43262	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	750.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57206	2.2
53.03942	2.7
54.82114	2.5
55.01868	5.4
55.05506	20.1
57.03426	18.8
57.07066	6.0
59.16336	2.5
67.05495	72.8
69.07064	19.9
71.08624	4.9
77.14025	2.7
79.05476	100.0
81.03400	4.5
81.07045	57.6
82.66738	2.6
83.04976	10.5
83.08593	10.9
87.04466	2.8
91.05460	66.2
92.08618	7.8
93.07025	82.4
95.04955	11.4
95.08587	49.3
97.06519	18.0
105.07032	37.1
107.04962	5.9
107.08589	40.3
109.06493	3.3
109.10140	13.7
115.05418	5.0
117.07008	46.2
119.08558	21.3
121.06477	3.6
121.10126	35.5
123.08017	5.4
129.06987	16.1
131.08571	43.5
133.10120	4.2
135.08025	18.9
135.11676	5.6
137.75084	2.6
138.48801	2.6
141.07013	15.7
145.10152	6.8
147.11667	3.9
149.09612	4.7
155.08548	4.1
157.10112	10.5
159.11642	5.8
173.13232	6.3
183.11649	6.2
183.84375	2.9
201.12808	4.6
261.21997	4.0
293.17413	53.3
300.32626	2.7
335.25772	63.3
553.38770	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14965	1.4
55.05497	3.4
61.02899	7.6
67.05485	9.6
69.03401	2.8
69.07059	3.2
73.02895	3.6
79.05471	8.3
81.03395	1.9
81.07048	6.4
85.02894	4.0
87.48149	1.5
91.03946	1.6
91.05448	13.5
93.07019	11.6
95.08600	2.8
97.02889	2.0
105.07013	10.0
107.08575	2.9
109.10135	3.6
119.08597	3.2
125.19316	1.6
131.08519	2.0
133.10056	5.3
135.11671	1.7
147.11699	2.0
159.11650	1.9
165.51886	1.7
237.11023	1.9
243.08551	2.0
345.76892	1.6
455.18661	11.0
507.66171	1.8
535.28961	4.1
731.39270	7.9
749.40637	100.0
763.22418	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.96832	0.5
55.05505	1.2
57.03437	2.7
57.07071	1.1
61.02917	7.4
61.74320	0.5
67.05497	10.3
68.18191	0.6
69.03428	4.5
69.07056	2.5
71.01331	0.8
71.04984	2.7
71.08602	1.0
73.02898	5.3
79.05478	7.5
81.03418	4.0
81.07053	7.4
83.08609	1.0
85.02903	7.6
91.03941	4.3
91.05471	5.6
93.07040	7.5
94.13325	0.6
95.04953	0.9
95.08585	4.8
97.02857	5.5
97.06528	0.8
99.04405	2.0
101.02377	2.8
103.03911	0.8
105.07024	3.3
107.08587	3.6
109.02870	0.9
109.10136	4.6
117.07034	0.8
118.31118	0.6
119.08581	3.4
121.10140	2.9
127.03933	1.5
131.08545	1.5
135.11682	1.3
137.09570	0.9
145.10207	0.9
146.10536	0.7
148.07353	0.6
173.11707	0.9
177.58696	0.6
178.63675	0.7
185.04240	1.0
185.92291	0.6
195.00294	0.9
242.34554	0.6
243.08478	0.9
253.14307	1.3
471.21933	6.1
519.29413	9.3
699.38354	1.4
749.44366	100.0
750.44525	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	749.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
57.03437	2.8
61.00583	1.9
61.02923	4.5
66.74783	1.5
67.05509	11.9
69.03407	1.9
69.07059	2.8
71.04986	2.5
73.02913	3.0
74.17699	1.8
76.56802	1.6
79.05489	8.7
81.03431	2.3
81.07056	8.3
83.08588	1.9
85.02914	3.7
91.05471	9.7
93.07046	11.0
95.08607	4.2
97.02895	3.6
97.06497	1.8
105.07043	2.6
109.10168	2.6
119.08592	2.5
137.09628	2.7
159.96461	2.3
178.18544	2.2
185.81723	1.9
316.69357	2.4
336.81815	2.0
471.21964	10.6
519.29602	2.6
539.27826	2.7
749.44446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
57.03434	1.5
61.02918	7.6
62.23257	1.0
65.37047	0.8
67.05502	6.5
69.03426	4.0
69.07054	1.8
73.02910	1.7
79.05491	5.9
81.03414	2.1
81.07055	5.9
83.08622	2.2
85.02458	1.2
85.02908	6.6
91.03928	2.1
91.05482	5.7
93.07027	4.7
95.04978	1.8
95.08586	4.9
97.02879	5.5
101.02403	1.4
105.07024	5.2
107.08598	1.8
109.10155	1.5
117.07001	1.3
119.08604	1.5
121.10145	1.9
129.06970	1.1
133.10146	1.6
193.12178	1.3
195.00458	1.4
236.49696	1.0
243.08516	2.3
251.12573	2.5
266.15884	1.1
335.25787	1.4
469.20343	9.2
519.29309	4.2
747.42767	100.0
748.43036	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
55.65048	2.0
57.03436	3.7
61.02919	4.3
67.05499	9.9
69.03400	2.7
69.07059	4.5
73.02906	3.4
79.05479	10.3
81.07049	13.1
85.02893	3.3
91.05462	4.4
91.08952	2.4
93.07040	4.0
95.08602	9.9
97.02962	2.6
105.07004	3.4
107.08601	2.5
129.99678	2.4
467.19003	3.0
467.53558	2.8
725.15320	3.4
738.11920	3.2
747.42694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01871	19.6
55.05500	12.8
57.03429	24.2
58.34271	2.0
58.94166	2.0
61.02893	2.5
63.72980	1.8
66.00945	2.3
67.05489	28.2
69.03415	4.8
69.07050	4.1
71.04973	5.5
72.12163	2.2
78.66592	1.8
79.05478	52.0
81.03400	100.0
81.07039	35.0
83.04961	14.2
83.08611	17.6
85.02886	32.1
91.05470	40.8
93.07027	27.1
95.04946	30.5
95.08570	17.5
97.02888	3.5
97.06551	4.3
97.10136	3.1
98.71673	2.0
103.05446	4.0
105.07014	56.8
106.38377	2.2
107.04942	34.4
107.08594	17.9
109.02898	3.0
109.06511	8.9
109.10148	9.0
111.08047	9.0
113.05991	2.2
115.05449	13.4
117.06979	14.8
119.04920	2.7
119.08566	25.3
120.28371	2.1
121.06497	4.6
121.10099	18.6
123.08046	3.5
125.09602	3.4
128.06192	4.6
129.05469	2.5
129.06993	30.2
131.04909	11.6
131.08528	21.7
133.06467	50.0
133.10095	15.4
135.08023	3.6
135.11743	3.3
137.05969	2.7
141.06958	2.9
142.07819	2.6
143.08536	10.2
145.06480	3.3
145.10121	3.7
147.08032	7.9
147.11717	10.3
149.09615	11.3
151.07559	2.8
155.08575	9.7
157.06485	8.2
157.10092	21.5
159.11694	2.6
161.09550	2.3
166.07814	3.2
169.10075	2.9
169.70004	2.2
171.07991	3.0
171.11710	12.0
173.09604	10.6
173.46767	2.4
175.11134	8.1
189.12688	3.2
193.12218	23.8
199.11214	11.0
211.13301	8.8
217.12190	23.8
267.15857	79.4
285.16867	11.4
291.15866	22.7
323.57819	2.6
326.42029	2.4
346.69653	2.3
391.22525	3.9
409.23691	3.1
457.25647	4.9
483.27521	30.8
501.28381	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.82261	0.5
54.91289	0.4
55.05497	2.0
57.03427	2.7
57.07067	0.6
60.89752	0.4
61.02915	6.0
63.26337	0.4
67.05489	6.2
69.03412	2.9
69.07062	1.1
71.04977	0.8
71.08620	0.4
73.02901	4.7
73.05303	0.4
79.05473	3.9
81.03397	5.2
81.07041	6.0
83.08599	1.1
85.02889	9.2
91.03935	3.6
91.05461	5.0
93.07033	4.4
95.04986	1.9
95.08579	3.6
97.02876	5.2
99.04418	0.7
101.02378	2.7
103.03904	0.6
105.07031	4.0
105.93098	0.5
107.04895	0.5
107.08609	2.1
109.02863	0.9
109.06523	0.5
109.10155	0.9
111.08071	0.5
111.57810	0.4
117.07006	0.7
119.08567	2.8
121.10136	2.3
123.08016	0.5
127.03944	0.5
129.06973	0.6
131.08562	0.7
133.10168	2.1
145.10110	0.6
147.11765	0.8
157.10135	0.9
185.04236	0.5
193.12289	1.0
203.05310	0.8
211.13287	0.5
221.01620	0.4
243.08287	3.6
251.12643	0.7
365.94818	0.4
405.05786	0.5
469.20425	9.2
519.29437	5.0
747.42761	100.0
748.43152	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.4
53.03942	1.3
55.01867	2.2
55.05510	6.9
57.03439	6.6
57.07064	2.1
59.69707	0.5
61.02919	8.9
65.72466	0.4
67.05495	18.7
67.05852	0.8
68.05815	0.7
69.03426	4.7
69.03751	0.5
69.07055	5.6
69.24603	0.6
71.01348	0.7
71.04986	0.7
71.08618	0.9
72.50788	0.4
73.02898	4.4
79.05479	10.4
80.05815	0.7
81.03402	10.4
81.07043	18.4
83.01369	0.5
83.04961	3.6
83.08606	6.3
83.54532	0.6
85.02892	11.7
85.06515	0.5
87.04481	0.5
87.82677	0.5
91.03944	4.5
91.05469	7.5
93.07023	10.3
95.04945	4.5
95.08581	11.4
96.08918	0.5
96.87755	0.5
97.02872	6.8
97.06488	0.8
97.10168	1.0
99.04469	1.9
101.02364	2.2
105.07016	5.8
107.04927	0.8
107.08593	4.9
109.02892	0.6
109.06534	2.5
109.10159	5.3
110.10441	0.7
111.08073	1.2
116.26354	0.5
117.07037	1.3
119.08554	5.9
121.06550	0.5
121.10142	3.9
123.08054	0.7
123.11724	1.0
127.03922	2.1
129.07051	2.0
131.08575	1.1
133.10147	2.6
135.11684	2.5
145.10144	1.3
147.11684	3.6
157.10153	2.1
158.10458	0.6
161.13286	0.6
163.11076	3.6
164.15742	0.5
164.17152	0.5
175.11143	0.6
179.26459	0.5
185.04109	0.9
185.30710	0.5
193.12238	3.8
203.05251	0.8
211.11606	0.5
211.13214	4.0
212.13516	0.7
221.31850	0.5
243.08447	2.5
249.10989	0.6
263.23505	0.8
264.57550	0.6
267.15976	0.8
285.16940	6.1
286.17242	1.3
332.83813	0.5
335.25943	0.5
337.27338	7.7
338.27652	4.0
467.18866	9.3
519.29230	4.2
529.38971	1.1
530.39221	1.1
547.39758	9.2
548.40167	8.5
548.48004	0.8
648.82733	0.6
745.41211	100.0
746.41254	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	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21032	0.2
53.00293	0.3
53.03937	1.3
54.61974	0.2
55.01846	0.3
55.05501	1.9
56.20470	0.2
56.96362	0.2
57.03418	2.8
57.03640	0.2
57.07066	0.5
59.78185	0.2
61.02919	7.6
64.12247	0.3
67.05493	7.7
69.03412	4.8
69.07058	1.8
70.05296	0.3
71.01331	0.4
71.04969	0.4
73.02904	4.5
79.05479	5.1
81.03403	3.0
81.07043	6.7
82.03732	0.3
83.08592	0.4
85.02895	8.9
85.06518	0.3
91.03940	5.4
91.05455	4.1
93.07031	5.6
95.04951	0.6
95.08582	5.6
95.26323	0.3
97.02872	6.8
97.10139	0.4
99.04451	1.4
101.02360	2.1
103.03920	0.4
105.07011	3.1
107.04988	0.3
107.08598	2.5
109.02885	0.7
109.10130	2.1
111.08110	0.4
115.03923	0.4
117.07028	0.4
119.08581	2.1
121.10143	2.0
123.08050	0.3
123.11748	0.4
127.03936	1.5
131.08571	1.7
133.10097	0.6
135.11679	0.7
147.11731	1.3
149.13269	0.6
161.13248	0.4
175.11058	0.3
185.04170	0.7
193.12241	0.9
203.05304	0.4
238.18834	0.3
243.08441	2.8
251.12534	1.9
261.22153	0.3
307.15134	0.5
308.12109	0.3
335.25629	0.4
448.10150	0.4
449.40024	0.3
469.20306	3.3
519.29315	8.6
524.46008	0.3
747.42761	100.0
748.42847	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84421	0.3
53.03936	1.3
53.22259	0.2
55.01863	1.4
55.05504	2.4
57.03431	3.4
57.07061	0.5
61.02917	10.2
61.39143	0.3
64.74149	0.3
65.03933	0.4
67.05498	8.8
69.03410	5.4
69.07059	2.2
71.01357	0.5
71.04996	0.8
73.02900	6.7
75.04444	0.4
79.05476	7.3
79.81818	0.3
79.82344	0.3
81.03401	3.4
81.07040	8.1
83.01341	0.4
83.04973	1.7
83.08617	0.7
85.02892	9.2
91.03933	6.1
91.05468	4.4
91.83494	0.3
93.07027	8.4
95.04958	1.3
95.08590	7.4
96.08887	0.5
97.02872	7.8
97.06544	0.5
99.04438	1.7
101.02386	2.6
105.07030	2.1
107.04970	0.7
107.08593	3.5
109.02897	1.7
109.06534	0.5
109.10151	3.1
111.08094	0.5
117.07036	1.2
119.08524	2.3
121.10095	3.0
123.08057	0.4
123.11743	0.4
127.03907	2.3
129.07057	0.5
131.08582	1.4
131.48555	0.3
133.10167	1.6
135.11705	1.8
145.10158	2.1
147.11694	0.5
149.13268	0.3
157.10139	0.4
163.11157	1.5
181.66107	0.3
186.51563	0.3
207.96599	0.3
209.11812	0.5
243.08290	2.6
249.10835	0.5
295.15674	0.4
296.10211	0.3
335.25867	0.7
467.18951	3.9
519.29333	8.5
533.82629	0.4
720.28687	0.4
745.41205	100.0
746.41681	4.2
772.13672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05510	35.0
57.03425	17.8
57.07073	11.6
58.78246	2.4
61.02905	3.5
67.05496	100.0
69.07059	24.4
71.04979	15.4
71.08619	7.3
76.50928	3.1
79.05476	42.7
81.03397	47.6
81.07043	62.4
83.04979	15.3
83.08588	20.5
85.02891	21.4
89.02108	3.1
91.05473	35.4
93.07029	36.1
95.04945	18.6
95.08585	40.3
97.06525	5.5
97.10169	11.1
105.06987	20.7
107.04951	5.8
107.08620	24.5
109.10133	41.6
110.16235	2.7
111.08073	5.2
117.06957	5.6
119.08597	25.8
121.10132	14.6
129.07024	4.5
131.08580	14.4
133.10101	14.1
135.10007	2.8
135.11736	4.0
137.09575	4.8
145.10110	4.5
147.11659	14.3
157.10143	6.5
163.11218	4.1
173.11674	4.1
175.11119	7.0
193.12279	23.5
211.13306	21.4
267.15924	3.1
279.73993	3.2
285.17014	32.6
287.18439	5.2
335.25751	6.4
337.27383	35.1
467.37256	17.4
489.35535	19.6
505.38516	21.8
529.38239	5.0
547.40009	74.3
744.45276	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.7
55.05511	6.2
57.03424	4.6
57.07061	1.3
61.02909	7.3
67.05492	12.1
69.03414	5.2
69.07059	3.4
73.02895	6.0
79.05468	8.4
81.03387	5.6
81.07047	11.8
83.08622	1.7
84.06577	0.8
85.02888	6.7
88.32246	0.7
91.03941	3.7
91.05473	5.9
93.07021	8.4
95.04959	1.2
95.08587	7.7
97.02866	8.7
97.10234	1.0
99.04426	1.1
101.02359	1.5
103.55273	0.8
105.07019	1.7
107.08574	5.5
109.02913	0.8
109.10197	3.7
116.41246	0.7
117.07021	1.3
119.08566	1.7
121.10114	1.7
125.09612	1.6
127.03940	1.2
131.08557	1.2
133.10118	1.1
135.11703	3.2
147.11710	1.4
161.76303	0.8
163.11078	1.9
227.10629	0.8
227.12801	4.2
242.44183	0.9
243.08434	3.6
245.13963	1.0
249.10947	14.7
305.13745	1.0
313.27338	0.8
335.25662	1.2
467.18942	5.2
519.29413	9.6
745.41248	100.0
746.41479	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40836	0.9
53.00293	1.3
53.03923	2.0
55.01852	1.1
55.05507	17.1
57.03424	9.9
57.07072	2.8
59.04985	1.6
61.02908	2.7
63.99888	0.9
65.03918	2.1
65.70161	1.1
67.05495	100.0
69.03410	2.1
69.07053	14.2
71.04980	27.5
71.08620	1.0
71.52838	0.9
73.02902	1.0
79.05052	2.0
79.05478	34.3
81.03398	1.7
81.07040	40.1
83.04968	5.2
83.08604	10.0
85.02879	2.1
85.06524	2.6
91.05465	30.4
93.07025	50.9
94.70712	1.0
95.04932	7.3
95.08590	36.1
97.02849	2.4
97.06506	5.6
105.07019	9.6
107.08584	22.0
109.06483	2.6
109.10146	64.1
111.08068	1.6
111.55183	1.0
117.07014	5.4
119.08564	18.8
121.02866	1.2
121.10111	17.5
123.11648	1.1
131.08568	8.9
133.10107	7.6
135.11664	15.0
137.09602	12.4
143.08524	1.3
145.10129	7.0
147.11671	2.3
149.13245	4.7
149.88957	1.1
150.61592	1.0
159.11713	2.6
161.13237	1.7
166.29277	1.0
173.11699	8.8
173.13222	4.1
185.13252	1.3
211.13338	1.2
213.14821	1.8
255.16061	1.5
261.22141	1.2
282.21536	1.2
287.18484	16.0
335.25711	13.0
362.42108	1.2
471.34619	4.6
489.35672	68.7
490.35968	2.4
497.36481	1.4
503.36996	2.0
505.38876	2.1
515.37341	15.0
547.39929	58.8
548.40424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56670	2.7
53.03946	5.3
55.01857	11.8
55.05515	34.8
57.03426	33.2
57.07079	3.9
61.02913	4.7
67.05499	100.0
69.03413	5.0
69.07059	36.7
71.04964	5.7
79.05482	92.3
81.03423	13.6
81.07046	71.1
83.04971	15.3
83.08607	17.1
85.02911	8.3
91.05477	72.3
93.07030	96.6
93.53145	3.1
95.04984	7.7
95.08607	37.9
97.02885	6.3
97.06513	14.0
97.10162	8.3
105.07005	57.3
107.04969	4.2
107.08588	54.6
109.06512	7.4
109.10149	19.3
109.85690	3.4
117.06980	24.1
119.08561	45.6
121.10136	20.4
129.06969	5.4
131.08563	16.7
133.10104	33.9
135.11684	51.1
143.08537	17.1
145.10046	23.7
147.11707	20.9
149.09642	6.1
149.13197	3.5
151.11174	6.3
157.10103	12.0
159.11667	14.7
161.13258	16.2
163.11214	4.1
171.11746	5.0
173.13266	6.4
175.14879	4.5
226.38145	4.5
253.14297	4.8
255.15854	41.2
259.20563	19.2
275.19818	4.3
293.21155	5.5
333.24301	17.8
335.25919	18.6
449.28827	28.7
513.35449	17.6
514.26440	4.0
547.36243	4.5
576.81702	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05511	36.7
56.13283	2.3
57.03431	29.8
57.07061	13.8
61.02924	4.4
65.03916	3.1
66.04653	2.8
67.05495	100.0
69.03425	3.8
69.07049	30.6
71.04964	10.9
71.08596	5.2
79.05477	55.1
81.03394	65.7
81.07040	80.3
83.04961	19.1
83.08615	31.6
85.02898	29.0
85.06518	4.8
88.66311	2.7
91.05465	48.6
93.07024	50.3
95.04938	30.2
95.08585	55.1
97.02882	2.5
97.06523	5.1
97.10137	5.1
105.06997	31.1
107.04943	3.4
107.07969	2.7
107.08558	20.7
109.06504	4.4
109.10135	54.0
111.08089	12.6
113.05992	2.7
116.32805	2.7
117.07034	4.2
119.08559	36.9
120.49896	2.6
121.10157	22.3
123.11659	10.2
129.06985	15.2
131.08528	16.3
133.10132	16.1
135.11681	12.4
135.19400	2.6
137.09557	3.3
145.10155	6.1
147.11684	17.0
148.25439	2.8
149.09570	5.4
157.10089	19.9
161.13228	2.9
163.11169	3.7
163.14732	3.0
175.11148	10.4
184.07191	2.8
192.39655	2.7
193.12212	32.9
204.37752	2.8
211.13240	36.6
236.15099	3.0
255.15843	5.3
267.15836	11.4
274.11496	2.9
285.16888	40.5
335.25818	10.4
337.27231	43.1
467.37161	9.6
489.35464	16.9
505.39157	20.1
529.38635	12.5
547.39838	90.3
744.45215	4.1
745.40790	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01862	10.3
55.05257	1.7
55.05507	21.8
57.03437	16.3
57.07072	1.9
57.29405	1.3
61.02913	1.6
62.88042	1.4
67.05499	68.4
69.03410	3.0
69.07059	20.6
71.04970	6.1
79.05478	48.4
79.36981	1.5
81.03395	7.4
81.07042	68.5
83.04959	8.3
83.08596	7.8
85.06532	7.2
91.05466	83.2
93.07027	55.5
95.04944	11.2
95.08601	21.0
97.02856	2.0
97.06522	3.7
97.10166	2.5
99.04482	2.0
101.18035	1.6
105.07021	81.8
107.08578	49.4
109.06484	6.8
109.10150	69.6
115.07481	1.6
117.06990	13.2
117.83909	1.7
119.08575	34.0
121.10135	16.7
123.08063	2.0
123.11755	12.3
125.09572	2.2
127.07523	2.9
129.06952	8.6
131.08551	21.0
133.10112	100.0
135.11696	11.1
137.09599	2.3
143.08504	6.1
145.10091	12.8
147.11670	23.6
149.13242	3.8
151.11159	32.4
157.10080	7.1
159.11690	10.5
161.09695	1.6
161.13200	11.5
169.12227	2.7
171.11652	10.4
173.13229	3.6
175.14764	3.8
183.11720	2.4
185.13222	4.0
215.12621	2.4
241.19553	13.0
253.14314	66.3
255.15714	2.2
259.20575	34.6
271.15359	29.3
277.21628	2.5
309.50488	1.7
315.23074	3.1
333.24182	35.2
511.33997	10.4
529.35254	38.3
547.36023	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	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01859	12.9
55.05505	35.5
57.03439	33.4
64.12698	2.9
67.05494	84.7
69.03417	11.5
69.07059	32.2
69.57884	2.4
71.04971	6.5
79.05479	84.8
81.03394	12.8
81.07040	79.5
81.07477	5.5
83.04971	19.6
83.08609	16.9
85.02895	4.1
85.06553	5.1
86.09699	5.8
91.05452	57.0
91.05931	4.0
93.07023	96.4
95.04962	17.2
95.08580	22.2
97.06497	21.9
97.10159	12.1
99.08075	4.8
104.83197	2.9
105.07027	39.4
107.04989	5.3
107.08584	64.2
108.89931	2.8
109.06474	3.6
109.10136	15.3
111.08077	3.9
117.07014	18.8
119.08558	25.7
121.06531	3.7
121.10132	18.6
123.08048	3.7
131.08580	21.0
133.10121	18.3
135.08083	4.1
135.11667	51.6
143.08612	3.9
145.10109	17.2
147.11685	6.1
149.09627	12.1
149.13232	6.9
157.10052	3.0
159.11659	15.7
163.11191	12.4
173.13191	5.0
181.12134	3.7
184.07425	12.3
186.49133	3.1
212.88368	3.0
255.15834	41.2
269.17441	15.4
275.19980	13.0
349.23578	6.2
357.73343	3.3
380.74045	3.4
435.27643	26.2
449.28900	100.0
529.35065	24.0
547.35828	6.9
673.37592	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	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	30.9
57.03419	21.9
57.07052	5.3
60.99687	4.2
61.02906	4.3
64.47736	5.3
66.30381	4.2
66.90329	4.0
67.05487	65.6
69.07048	32.0
79.05470	73.7
81.03394	8.5
81.05406	4.1
81.07037	100.0
83.04941	8.7
83.08614	11.3
86.09694	5.7
89.66394	5.2
91.05460	52.8
93.07030	54.4
95.04944	9.7
95.08578	29.9
97.06512	7.2
97.10137	19.3
97.51256	4.4
105.06985	45.8
107.04951	5.7
107.08578	36.0
109.06499	20.6
109.10126	11.3
117.06978	25.4
119.08538	33.0
121.06506	5.9
121.10107	11.6
121.77381	4.8
125.09608	5.0
129.06964	7.6
131.08565	20.3
133.10098	28.6
135.08051	6.5
135.11661	27.9
141.06903	6.1
143.08592	5.5
145.10118	19.7
147.11688	18.7
159.11609	6.2
161.13260	5.6
163.11153	9.5
184.07292	9.4
184.32884	4.6
201.02888	4.8
253.14256	6.4
255.15851	42.6
267.85849	4.8
275.20038	26.9
285.22125	9.2
349.23590	8.8
367.24777	5.8
444.71347	5.1
447.82492	5.1
529.35199	60.2
546.85870	5.3
547.36267	42.6
589.83093	5.1
639.05371	5.2
750.63824	5.3
752.64655	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	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.2
53.03937	8.7
55.01871	14.0
55.05511	31.6
57.03428	25.8
57.07074	3.2
61.02910	4.3
67.05494	98.1
69.03416	5.5
69.07057	36.4
71.01338	3.5
71.04975	4.3
77.79459	2.1
78.57838	2.2
79.05477	83.0
81.03410	17.2
81.07043	66.3
83.04971	17.7
83.08616	13.0
85.02888	3.0
85.06561	4.6
86.09660	2.9
91.05465	58.0
93.07027	100.0
93.31591	2.6
95.04960	13.9
95.08579	28.5
97.02874	2.1
97.06511	19.2
97.10157	14.2
105.07010	41.5
107.04933	15.0
107.08579	61.2
109.02927	3.1
109.06490	4.6
109.10136	15.9
111.08076	4.6
111.88970	2.1
117.07000	23.0
119.08577	24.2
121.06477	5.3
121.10136	14.7
123.08088	4.1
123.11747	3.0
125.09626	3.6
131.08569	19.6
133.10083	22.9
135.11665	65.1
141.06985	3.7
143.08546	3.0
145.10121	20.9
147.11739	9.2
149.09625	13.1
149.13248	8.5
157.10104	2.5
159.11668	5.4
163.11179	8.2
172.12212	2.2
173.13132	2.5
181.12225	4.8
184.07205	2.4
227.12779	9.4
229.19603	3.0
247.20418	3.0
255.15869	57.8
257.18961	4.1
269.17435	5.1
275.20056	20.3
342.99374	2.1
346.23901	2.2
349.23648	14.8
379.32959	2.2
435.27591	22.4
449.28860	66.8
450.29453	3.0
529.35156	35.9
547.36200	11.0
629.53485	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	742.582
Annotation	JCer-1
Peak:m/z	Relative Intensity
53.00280	0.7
53.03928	1.8
55.01847	0.4
55.05260	0.5
55.05503	8.7
56.05032	4.8
57.07057	4.5
58.06563	0.8
60.04509	2.8
65.03924	0.7
65.16609	0.4
67.04269	0.4
67.05144	0.7
67.05491	16.6
68.04996	0.6
69.03392	1.8
69.07054	9.7
69.47706	0.4
70.06571	2.8
71.08598	1.9
79.05473	15.5
80.04995	3.8
81.03393	0.4
81.05767	2.4
81.07035	14.6
82.06563	9.3
83.08596	5.7
84.08102	0.6
85.02898	3.3
85.10167	0.4
86.06033	0.5
90.15633	0.3
91.05455	11.0
93.05760	0.5
93.07018	13.8
94.06542	25.3
95.04922	2.0
95.06767	0.7
95.07325	12.1
95.08575	10.8
96.08105	7.6
97.02889	0.6
97.06498	0.4
97.10149	2.9
105.07014	8.9
107.08566	5.4
108.08092	3.9
109.10133	4.0
110.09663	0.7
111.11703	0.6
117.07013	0.4
119.08553	8.9
121.08868	0.8
121.10126	4.7
122.09653	3.4
123.11649	1.7
124.11198	0.5
131.31653	0.4
133.10124	4.8
135.10422	0.7
135.11642	3.1
137.13264	0.7
147.11670	0.6
149.13211	0.9
161.13162	0.7
222.59402	0.5
232.35600	0.4
233.20496	0.4
233.22630	2.1
234.22020	0.4
245.22598	4.2
250.25206	8.8
262.25235	100.0
280.26294	7.4
282.27869	0.4
300.28943	4.0
532.50696	5.8
544.50751	32.9
545.50458	0.5
546.52484	5.7
562.51813	24.5
595.92072	0.5
604.65540	0.4
724.57135	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01864	5.8
55.05264	2.5
55.05507	43.6
57.03168	2.3
57.03430	32.8
57.53296	1.3
58.77088	1.1
61.02909	7.9
61.61745	1.4
65.03925	1.8
67.05493	80.6
69.03409	6.1
69.07054	26.6
71.04976	7.9
73.02893	2.9
79.05476	74.3
81.03399	85.4
81.07041	81.3
83.04961	27.5
83.05779	1.3
83.08602	28.1
85.02895	40.5
85.06532	3.2
91.03928	1.9
91.05457	63.4
92.09324	5.1
93.07025	65.8
95.04948	37.3
95.08585	56.7
97.02859	7.7
97.06501	7.5
97.10143	6.9
102.66247	1.3
105.07014	48.5
107.04951	9.7
107.08576	32.5
109.06506	7.3
109.10142	19.2
111.04420	1.6
111.08066	14.2
113.05987	1.9
117.07005	7.0
119.08566	29.9
121.06516	2.1
121.10106	24.6
123.08020	1.7
123.11691	2.9
125.38260	1.6
129.07010	18.0
131.08551	22.4
133.06424	1.8
133.10112	21.6
135.11682	8.9
137.13242	2.1
142.07777	3.4
143.08540	1.6
145.10144	11.6
146.55219	1.7
147.08054	2.9
147.11646	21.6
149.09613	7.9
149.13226	2.7
157.10080	20.3
159.11714	5.8
159.59677	1.4
161.13194	2.8
165.12695	5.4
175.11148	18.5
193.12199	41.9
211.11340	3.1
211.13268	62.5
249.25531	1.9
261.22092	8.8
267.15848	16.0
285.16919	71.4
301.25180	1.5
317.24680	1.9
335.25726	61.4
336.26343	1.6
364.56485	1.6
435.32291	2.4
457.04163	1.5
527.36993	11.7
545.38312	100.0
546.38611	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
54.81456	1.9
55.01864	16.3
55.05262	3.5
55.05508	49.1
57.03429	29.2
57.07068	7.3
57.52668	1.6
58.85011	1.6
61.02913	17.0
61.18263	1.6
61.45481	1.5
65.03933	1.7
67.05495	93.7
67.45450	1.9
69.03417	4.7
69.07057	36.1
70.29443	1.8
71.04972	2.5
71.08587	1.8
73.02905	3.5
79.05475	48.0
81.03408	14.0
81.07041	98.4
83.01331	16.8
83.04967	22.2
83.08615	34.9
85.02901	14.6
85.06519	2.1
85.96851	1.8
91.03949	2.9
91.05454	33.4
92.08665	7.3
93.07034	56.8
95.04967	14.8
95.08588	69.3
97.02894	7.7
97.06514	9.4
97.10155	12.5
99.04456	3.3
105.07022	22.2
107.04955	12.6
107.08578	31.6
109.06519	15.7
109.10149	35.3
111.08064	4.5
117.07038	7.0
119.08539	19.0
121.10130	14.6
123.08067	9.8
123.11700	8.3
127.53201	1.9
129.07016	4.3
130.69020	2.1
131.08566	4.2
133.10100	13.3
135.11656	22.8
137.13226	2.6
145.10107	20.8
147.08044	1.8
147.11708	7.2
153.12701	3.4
161.13333	4.3
163.11166	28.1
173.09589	2.1
175.14752	2.8
181.12328	2.9
191.10565	3.4
209.11652	2.6
227.12746	3.8
263.23630	9.7
267.15366	1.9
283.15338	97.3
285.17114	2.4
335.25681	7.9
337.27332	100.0
527.36920	3.8
545.38269	95.5
546.38306	3.0
622.54108	1.9
741.43372	3.9
742.43512	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09492	1.7
53.03953	2.1
53.98819	1.6
55.01870	3.0
55.05510	34.6
57.03438	24.2
57.07074	2.5
59.19640	2.2
61.02903	3.9
64.91483	2.1
67.05495	77.1
69.03433	4.5
69.07052	23.9
71.04963	4.6
71.93204	2.0
73.81825	1.8
79.05475	69.5
81.03403	65.4
81.06594	4.3
81.07043	86.1
83.04990	15.4
83.08616	22.4
85.02909	26.8
85.06493	2.1
91.05462	56.4
93.06512	2.4
93.07027	67.4
95.04957	30.9
95.08586	55.4
96.28797	2.0
97.02889	3.6
97.06478	4.7
97.10146	8.9
99.08089	2.8
105.07018	46.0
107.04947	5.1
107.08593	33.1
109.06489	4.6
109.10150	14.8
111.08083	4.7
113.05986	2.1
115.05465	2.8
116.69168	2.2
117.07011	13.7
119.08571	35.1
121.10114	37.9
123.08037	3.0
123.11663	3.4
126.24273	2.1
129.06985	13.3
131.08536	24.7
133.10126	21.2
135.11679	17.9
142.07773	3.4
145.10130	5.1
147.08051	4.4
147.11708	25.8
149.09596	10.7
149.13303	2.5
157.10094	20.0
159.11671	12.0
160.93320	2.3
161.13193	5.3
175.11179	11.2
193.12224	28.8
211.13290	32.3
259.20715	2.3
261.22101	3.6
267.15857	15.9
272.10965	2.4
285.16907	39.8
335.25739	61.7
438.99619	2.7
503.37000	10.5
527.37109	16.6
545.38251	100.0
546.39014	2.7
752.40637	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01863	4.6
55.05506	38.7
57.03437	21.5
57.03650	2.3
57.07066	3.7
61.02935	3.2
62.96010	2.5
67.05145	3.1
67.05496	75.7
68.10665	2.1
69.03426	5.3
69.07053	33.4
71.04977	5.3
71.08585	2.2
79.05057	3.2
79.05481	59.8
81.03403	72.4
81.07043	63.6
83.04963	17.2
83.08604	31.4
85.02897	22.9
91.05469	45.0
93.07021	61.9
95.04967	25.4
95.08587	47.2
97.06522	10.2
97.10131	9.6
97.16855	2.1
105.07013	29.9
107.04937	3.8
107.08578	35.3
109.10146	16.0
111.08092	4.8
112.22318	2.5
116.26047	2.3
117.06995	10.6
119.08554	26.1
121.10125	26.1
129.06981	15.0
131.08525	23.0
133.06552	3.0
133.10101	16.3
135.11655	14.8
145.10074	9.3
147.11649	21.5
149.09627	5.4
151.11172	2.7
157.10136	16.9
159.11664	2.6
163.11142	4.0
175.11195	14.4
193.12192	35.7
208.23746	2.8
211.13231	24.2
261.22058	3.4
267.15839	11.2
285.16904	30.9
335.25748	59.5
336.26050	5.2
391.01108	3.0
406.85660	2.5
503.37408	30.8
527.37158	12.7
545.38257	100.0
645.41693	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	742.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.5
53.03930	3.6
55.01850	3.0
55.05505	45.1
57.03426	27.3
57.07054	8.7
61.02905	4.7
62.74921	1.9
63.06748	2.4
65.03921	2.3
67.05495	71.7
69.03411	3.4
69.07053	38.0
71.04964	2.9
71.08596	4.0
79.05476	62.1
81.03400	83.1
81.07040	84.0
83.04969	23.1
83.08614	37.1
85.02912	22.5
85.03337	3.1
85.10182	3.5
86.43181	2.3
88.81013	2.9
91.05461	49.2
93.07023	62.1
95.04950	29.9
95.08588	47.1
97.02869	3.6
97.06536	3.2
97.10147	18.1
99.91141	2.3
103.05444	2.7
105.07018	37.9
105.09090	2.2
107.04923	9.9
107.08586	37.1
108.53822	2.2
109.06515	3.8
109.10143	18.9
110.74139	2.3
111.04430	4.3
111.08061	11.7
117.06975	9.7
119.08572	29.5
121.06488	3.1
121.10105	22.5
123.08065	3.2
123.11688	4.4
129.06975	14.6
131.08534	26.5
133.10117	19.9
135.11681	10.7
145.10091	11.6
147.08028	2.5
147.11694	18.3
149.09631	4.2
157.10080	15.7
161.13191	3.3
163.11134	2.5
175.11151	10.6
193.12230	31.8
193.23996	2.6
211.13266	34.9
252.76303	2.8
261.21973	3.1
267.15820	13.4
273.27271	2.5
284.15768	2.4
285.16858	28.8
298.26410	2.5
335.25766	48.3
336.26010	4.5
338.46198	2.7
503.37289	64.0
527.37207	12.0
545.38257	100.0
772.08209	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	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	7.1
55.05493	36.6
57.03420	12.7
67.05500	76.1
69.07051	24.4
73.82479	5.2
79.05473	73.3
81.03411	8.0
81.07049	100.0
82.99574	5.8
91.05453	83.4
93.07024	95.4
95.04954	7.3
95.08578	38.7
97.06489	13.9
105.07024	64.5
107.08595	57.7
109.10160	11.4
117.06974	14.4
119.07811	6.4
119.08530	45.7
121.10110	34.7
121.61871	6.0
131.08527	27.8
133.10083	37.5
135.11748	11.6
143.08551	7.0
145.10078	10.5
147.11679	38.1
149.13174	21.1
159.11674	12.9
161.13252	25.3
171.11674	7.0
173.13286	5.9
175.14742	9.3
185.13217	6.4
241.19400	13.7
259.20499	40.7
269.17416	38.5
333.24112	22.9
335.25592	10.0
354.81046	6.2
514.92975	8.6
527.37457	42.7
545.38245	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	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.9
55.05503	41.2
57.03432	18.0
57.07059	5.5
57.21024	2.0
61.02913	5.6
65.03944	2.3
67.05496	69.7
67.79053	2.2
69.07056	20.5
71.08629	2.9
75.60567	2.4
79.05474	45.8
81.03406	11.1
81.07043	65.3
83.01320	10.1
83.04980	13.6
83.08613	29.4
85.02878	12.6
91.05460	27.3
93.07024	45.6
95.04961	15.5
95.08593	50.5
97.02915	5.2
97.06518	5.9
97.10182	4.5
104.03671	2.5
105.07011	18.3
107.04942	10.3
107.08579	19.1
109.06526	10.3
109.10151	17.3
117.06991	5.6
118.45200	2.4
119.08565	16.6
121.06538	3.2
121.10135	14.4
123.08077	11.3
123.11747	5.0
126.40063	2.7
129.06964	3.0
131.08537	4.8
133.10115	6.5
135.07979	3.7
135.11705	12.7
145.10126	14.8
147.11725	2.6
155.18031	2.4
163.11090	24.5
209.11763	4.2
283.15344	100.0
337.27338	68.5
344.97385	3.1
415.55466	2.6
467.85568	2.9
545.38202	47.3
729.93951	2.9
742.45044	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	742.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93588	3.4
55.05273	4.5
55.05504	42.5
57.03430	9.9
67.05497	68.6
69.03417	5.7
69.07063	40.8
79.05479	63.2
81.03414	10.2
81.07044	44.9
83.04952	18.0
83.08593	8.1
91.05451	42.4
93.07037	70.0
95.04948	10.9
95.08588	9.1
97.02902	7.5
97.06500	10.0
97.10150	19.1
105.07003	28.4
105.54444	4.5
107.04942	8.5
107.08574	32.6
109.06525	5.5
109.10142	18.9
117.06989	8.4
119.08540	24.5
125.09592	6.5
125.93150	4.8
131.08560	7.6
131.53856	4.5
133.03491	4.1
133.10132	9.9
135.11684	27.2
143.08522	6.9
145.10075	17.4
147.08014	6.8
157.10120	5.7
184.07156	5.0
203.00998	4.3
223.13268	19.9
228.65428	4.8
253.89914	5.3
255.15790	34.5
273.18481	11.0
275.20056	5.7
291.19467	100.0
323.40790	4.7
365.23126	30.5
545.34650	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	2.3
53.03951	2.5
53.78140	2.1
55.01860	5.9
55.05503	24.2
56.52582	2.1
57.03428	8.9
61.02907	13.1
63.26136	1.9
65.07416	2.1
67.05490	28.6
69.03411	3.5
69.07056	16.3
71.04979	3.0
73.02895	5.0
79.05479	35.4
81.03397	15.0
81.07036	60.7
83.04967	15.7
83.08609	13.7
85.02889	20.4
91.03936	3.8
91.05475	25.0
93.07031	33.0
95.04942	15.1
95.08570	26.6
97.02880	5.7
97.06513	13.8
97.10117	21.5
99.04402	2.9
99.08030	2.5
105.07006	19.1
107.04924	5.6
107.08575	18.6
109.02866	2.2
109.06512	8.9
109.10153	10.0
111.04432	15.4
111.08070	10.2
117.06989	9.1
119.08560	19.2
121.06461	9.8
121.10138	14.3
123.08034	24.7
123.65062	2.3
125.09608	26.7
131.08533	15.9
133.06439	3.5
133.10112	13.2
135.08057	4.6
135.11664	9.6
137.02327	11.6
137.09593	4.5
143.08565	4.3
145.10094	16.1
147.07993	10.6
151.11203	3.0
153.12724	4.8
157.10107	4.2
159.11649	4.4
161.09587	5.1
163.03902	3.1
163.11151	13.9
165.09062	4.8
173.09608	4.2
175.11142	11.0
177.55183	2.2
181.12180	5.1
189.11214	14.6
191.10645	3.6
193.12207	4.6
214.81239	2.8
227.12819	3.0
231.19972	2.3
273.18430	28.8
291.19504	50.5
309.20367	3.8
352.54208	2.7
365.23160	100.0
383.24194	71.1
413.72824	2.4
644.24982	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	742.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50754	3.8
55.01860	19.3
55.05513	43.4
57.03426	33.5
61.02913	19.8
64.79047	3.9
67.05495	100.0
69.03410	9.3
69.07059	53.2
73.02899	4.7
77.15916	3.7
79.05488	62.0
81.03408	52.2
81.07050	90.4
83.04950	15.6
83.08606	21.6
85.02888	36.7
91.03928	9.1
91.05472	53.5
92.06656	3.9
92.09368	6.1
93.07024	53.4
95.04939	29.4
95.08588	49.8
95.22078	4.4
97.02873	22.8
97.05961	3.7
97.06524	17.8
97.10151	16.0
99.04417	5.4
105.07031	42.2
107.04935	22.6
107.08593	35.8
109.02871	4.7
109.06503	6.0
109.10149	52.7
111.04530	3.7
111.08037	5.2
117.07033	20.0
119.08548	40.0
121.10149	21.3
121.54109	4.9
123.08051	8.3
123.11641	7.0
125.09634	5.0
128.58615	4.9
129.05417	4.9
129.06958	7.6
131.08565	26.2
133.10124	33.7
135.08037	4.3
135.11639	15.7
137.09564	6.1
145.10101	24.4
147.08090	4.6
147.11696	16.0
149.09564	14.0
151.07530	5.7
157.10089	7.0
159.11710	16.2
161.13252	4.4
163.11206	6.5
169.10170	4.0
171.11653	7.1
173.11772	5.5
173.13200	4.7
189.11026	4.0
193.12328	6.3
206.58034	4.8
229.14392	47.4
243.15971	5.2
267.15918	7.6
275.19937	23.9
349.23706	75.7
367.24872	5.7
545.33789	4.8
634.54144	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	742.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
53.03930	1.5
55.01863	8.2
55.05240	0.9
55.05504	23.9
57.03434	6.5
61.02911	11.0
65.03941	0.8
65.21497	0.8
67.05495	28.1
69.03413	6.5
69.07055	17.5
71.04978	2.1
73.02909	1.5
79.05469	29.6
80.36916	0.8
81.03386	12.2
81.07037	47.9
83.04964	10.9
83.08597	14.2
85.02888	12.8
85.06525	1.6
87.29269	0.9
91.03944	4.9
91.05464	15.9
93.07022	21.0
95.04957	13.9
95.08578	12.7
97.02881	5.5
97.06516	8.4
97.10143	23.6
99.04452	1.9
99.08112	1.0
105.06998	12.4
107.04965	8.3
107.08575	20.6
109.02901	1.0
109.06503	4.9
109.10146	9.1
111.04434	9.9
111.08080	6.5
117.07001	9.3
119.04915	1.0
119.08558	19.0
121.06493	5.6
121.10107	11.1
123.08036	17.9
123.11683	1.4
125.09604	20.5
127.03874	2.2
129.06990	4.3
131.04921	1.1
131.08528	7.9
132.69179	0.9
133.06476	2.2
133.10118	6.9
135.08063	5.6
135.11659	10.3
137.02284	7.3
137.09572	6.3
143.08574	4.0
145.04942	1.7
145.06525	1.4
145.10120	11.3
147.04362	1.2
147.07999	6.9
147.11682	5.2
149.09613	4.3
149.13263	1.7
153.08981	1.6
153.12694	6.7
157.10130	3.8
159.08012	1.2
159.11685	4.4
161.09599	4.4
163.03873	5.2
163.06108	1.2
163.11147	14.9
165.09132	2.0
171.10187	1.5
171.11647	4.3
173.09637	2.0
175.11235	2.2
177.12747	1.1
181.12189	7.0
185.13266	1.2
189.11194	11.8
189.12759	1.3
191.10718	4.4
193.12198	3.9
223.13237	1.3
227.12823	6.2
255.17371	1.1
259.09537	1.0
273.18399	15.9
291.19510	30.7
309.20676	4.0
347.22165	4.2
365.23169	42.7
383.24203	100.0
509.27277	1.5
527.28229	3.3
545.29468	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	740.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.05510	24.3
57.03424	5.8
57.07050	1.9
66.35890	2.2
67.05142	2.9
67.05492	58.6
68.09281	2.0
69.07045	16.2
79.05054	2.9
79.05473	46.2
81.03370	2.7
81.07040	53.7
83.04959	4.0
83.08598	11.3
91.05462	27.9
91.52849	2.0
93.07020	42.9
95.04932	12.8
95.08575	33.1
97.10120	3.4
105.07013	16.8
107.08563	13.2
109.10127	13.1
110.10122	2.2
119.08542	18.7
121.10103	3.5
129.06950	10.3
133.10120	10.6
135.77281	2.1
145.10118	9.9
147.11687	16.6
157.31046	2.3
161.13240	3.2
171.11565	8.1
207.13686	3.1
236.14778	3.9
281.17300	21.8
337.27289	30.3
408.72815	2.5
423.63934	2.3
543.40326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.0
53.03938	4.0
55.01852	5.9
55.05262	1.6
55.05505	25.3
57.03431	17.2
57.07059	5.6
59.05005	1.1
61.02900	4.4
63.18218	0.9
64.33911	0.9
65.03926	1.7
67.05492	74.8
69.03405	1.8
69.07055	20.7
71.04967	4.1
73.02885	1.6
79.05476	65.3
81.03392	3.6
81.07040	73.0
83.04961	7.4
83.08603	16.5
85.02896	1.9
85.06505	1.3
91.05464	26.6
92.09312	1.4
93.07027	81.1
95.04937	12.4
95.08586	77.6
97.02880	6.4
97.03487	1.0
97.06507	7.0
97.10140	3.5
99.04446	5.4
105.07011	19.8
107.04945	12.9
107.08580	48.4
109.06493	4.8
109.10133	16.7
111.04432	1.9
111.08101	1.1
117.06997	12.9
119.08551	19.4
121.06477	9.2
121.10126	27.6
123.08025	1.8
123.11666	3.6
125.05964	2.4
130.07748	1.1
131.08531	7.1
133.10112	8.6
135.08060	2.3
135.10645	2.1
135.11671	57.5
138.71074	1.0
145.10100	41.4
147.11696	2.0
149.09619	4.1
149.13249	4.1
155.61603	1.0
156.63925	1.2
159.11630	1.8
161.13161	1.2
163.11147	61.9
170.56735	1.1
181.12152	8.8
182.95509	1.2
225.57527	1.1
227.12744	44.8
243.20897	1.6
261.22113	7.7
283.15375	45.2
284.01425	1.3
313.27228	2.0
335.25751	100.0
336.26193	1.1
543.36682	75.7
544.36755	4.1
550.73053	1.2
563.50311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01864	15.9
55.05503	41.2
57.03428	36.1
57.07059	7.1
59.04993	3.0
60.08139	2.2
61.02904	11.8
62.41246	2.0
64.30412	1.5
65.03909	2.5
67.05496	80.2
69.03407	2.3
69.07059	23.1
71.04958	4.1
73.02876	3.4
79.05478	71.1
81.03419	13.7
81.07040	77.2
83.01318	19.9
83.04967	20.8
83.08605	25.5
85.02891	17.5
85.06524	2.5
86.09673	8.0
91.03906	2.1
91.05469	44.5
93.07025	90.1
95.04951	16.8
95.08590	56.5
97.02858	9.0
97.06509	6.3
97.10133	3.7
99.04422	2.2
103.11068	1.9
105.07030	26.8
107.04939	14.3
107.08588	41.1
109.06499	14.6
109.10139	20.8
111.04411	2.8
111.08049	2.7
117.06990	20.9
119.08566	26.4
121.06471	3.5
121.10127	27.2
123.08068	12.2
123.11660	6.7
124.99989	6.9
125.09650	2.0
129.06926	2.8
131.08553	14.8
133.10092	16.1
135.08005	2.3
135.11684	27.5
137.13280	1.9
139.11325	2.0
143.08604	2.1
145.10115	24.9
147.07973	2.4
147.11620	2.4
149.13254	8.4
151.14938	2.3
153.12686	4.1
159.11671	4.0
161.13274	3.8
163.11162	24.8
173.09564	2.2
173.13248	2.8
181.12128	2.4
184.07362	13.2
185.07655	3.1
187.14760	2.2
191.10619	3.8
201.16292	2.2
202.46547	1.7
209.11711	7.6
209.34669	1.7
227.12738	3.7
236.14857	2.4
243.21025	6.5
261.22177	16.1
283.15363	100.0
317.24698	7.5
333.24255	2.0
335.21915	3.8
335.25748	78.9
336.26245	2.7
409.78925	2.4
469.33051	2.0
525.35425	3.2
543.36768	66.5
690.49402	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01861	14.3
55.05243	2.8
55.05505	49.8
57.03428	35.2
57.07064	3.9
58.06083	1.6
58.37045	1.7
59.04988	3.0
61.02904	9.3
64.33243	1.8
67.05495	77.2
68.27165	1.8
69.07053	19.9
70.14864	2.1
71.04975	3.7
71.08619	1.9
73.02872	2.6
75.07961	2.1
76.19405	1.9
79.05476	70.0
81.03407	15.1
81.07040	86.5
81.59825	2.3
83.01334	12.1
83.04960	20.1
83.08611	28.8
85.02893	12.8
85.06525	2.7
91.03953	2.5
91.05460	44.4
93.07031	96.2
95.04955	13.9
95.08589	65.7
97.02866	4.1
97.06522	4.7
97.10149	4.1
103.27841	2.2
105.07011	32.1
107.04966	13.0
107.08591	42.4
109.06537	9.4
109.10126	25.5
111.04403	2.9
111.11699	2.3
117.07013	15.8
119.08567	27.7
121.06521	3.5
121.10129	38.2
123.08064	11.9
123.11724	4.9
131.08553	20.9
133.10114	12.1
135.11658	34.6
145.10130	34.0
147.11697	4.4
149.09616	4.3
149.13245	8.2
153.12778	2.4
159.11653	8.7
161.13264	3.2
163.11125	27.9
163.14783	4.3
173.09589	3.6
173.13223	9.6
178.07877	2.3
181.12379	3.3
184.07303	3.1
189.11284	2.2
191.10670	2.7
192.74643	2.0
193.12132	2.1
209.11613	4.7
227.12695	4.8
237.86151	2.1
243.21153	4.1
261.22073	15.2
272.46085	2.4
283.15375	91.1
316.49292	2.5
317.24850	2.9
335.25763	100.0
449.69882	2.5
454.73315	2.2
465.04709	2.5
469.33347	2.5
524.77234	2.2
525.35291	4.6
543.36749	83.1
615.15924	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.8
64.67706	3.9
65.10761	2.8
67.05496	58.1
69.03418	4.5
69.07052	20.4
72.95673	2.9
76.92371	3.6
79.05470	47.7
81.03421	5.6
81.07040	66.1
82.68296	3.4
83.04967	17.3
83.08607	15.0
85.06553	4.1
91.05466	49.2
92.09264	3.7
93.07025	52.9
95.04971	8.8
95.08582	26.8
97.06499	7.2
105.07014	53.0
107.04948	4.7
107.08580	33.4
109.06516	7.9
109.10142	6.0
117.06997	17.7
119.08572	32.0
121.06493	5.5
121.10130	18.7
123.07999	4.0
129.06958	6.5
131.08563	33.5
133.10103	28.1
135.11690	6.4
143.08559	6.2
145.06441	3.5
145.10141	20.4
147.11652	21.6
149.09601	7.5
149.13269	7.7
157.10127	14.7
159.11694	13.9
160.65408	3.2
161.13249	4.7
163.11104	6.0
171.11700	4.9
173.13269	5.5
175.11201	4.6
175.14828	6.6
183.08047	3.8
185.34280	3.7
195.35039	3.5
201.12714	4.1
257.18832	4.4
259.20535	15.9
267.16016	15.1
269.17493	7.5
275.20029	24.0
349.23663	13.3
499.33804	5.4
525.35565	30.4
543.36688	100.0
556.17316	3.7
561.37860	15.1
733.75262	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	739.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52176	1.1
55.05506	2.4
56.31164	1.3
57.03430	1.6
57.07081	5.6
61.02921	5.9
67.05499	5.5
69.03406	4.7
71.08610	2.4
73.02895	2.3
75.42664	1.1
79.05477	1.5
81.07048	2.0
85.02911	5.6
91.03985	1.5
91.05501	3.2
92.79768	1.4
93.07068	1.5
95.08589	4.9
97.02879	5.8
105.07045	2.1
109.10197	1.5
114.61934	1.1
118.99417	1.3
119.08627	1.4
120.63995	1.2
122.23000	1.2
127.03899	1.3
131.08627	1.3
133.10149	1.8
145.97681	1.2
152.62431	1.6
181.83650	1.3
258.36230	1.5
262.68872	1.2
313.27521	2.6
324.14441	1.5
483.18607	7.8
497.30984	3.1
507.20615	1.3
642.44000	1.5
739.42340	100.0
740.43073	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	739.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.03933	8.6
53.09982	1.0
55.01867	63.5
55.05508	13.7
56.96307	1.0
57.03418	8.3
57.07059	3.0
59.04983	13.2
59.90923	1.0
61.02911	5.0
63.61229	1.1
65.03920	1.3
66.49960	1.3
67.05145	1.3
67.05492	34.2
68.99756	1.5
69.03416	65.5
69.07056	22.8
71.04963	6.5
73.02893	6.9
76.66869	1.4
79.05472	21.7
81.03394	31.6
81.07042	45.4
83.04962	2.1
83.08605	7.0
85.02892	70.9
87.00812	39.1
87.04447	8.7
91.05453	22.2
92.37199	1.2
93.07020	50.8
95.04947	6.6
95.08585	60.5
97.02879	22.5
97.06512	100.0
97.10146	4.9
99.04438	13.0
99.08092	2.3
105.01852	24.0
105.07022	55.2
105.17166	1.2
107.08578	63.5
109.02869	22.2
109.06496	5.4
109.10145	45.7
109.10789	1.0
111.08063	14.5
113.09586	2.0
115.07549	70.4
117.01797	1.6
117.07020	9.1
119.08560	68.5
121.06418	1.7
121.10123	52.3
123.08072	14.3
123.11683	13.0
125.05960	8.2
125.09604	56.8
127.03891	34.7
129.01816	2.1
129.06981	5.7
131.08549	29.2
133.10117	57.5
135.08018	2.4
135.11673	29.5
137.02319	7.7
137.09595	8.7
137.13220	5.1
139.11179	5.9
141.09081	19.9
142.07730	2.3
143.06992	10.0
143.08540	16.6
143.10632	2.9
144.09296	2.3
145.04965	13.4
145.10115	57.8
147.11661	72.5
149.09592	5.4
149.13228	30.8
151.11172	7.2
155.08514	2.3
156.09329	2.7
157.10121	23.7
158.10880	2.1
159.02824	9.9
159.10349	2.2
159.11673	49.8
160.12022	1.2
161.09601	2.7
161.13200	31.7
163.03864	2.3
163.11165	6.6
163.14771	11.0
165.09081	5.8
165.12671	1.7
167.10635	5.0
169.10095	5.9
170.10884	1.5
171.11670	18.2
172.12389	1.7
173.13231	32.4
175.14769	17.9
177.12791	2.2
177.16373	17.4
181.09979	1.4
183.11655	5.1
184.12477	1.9
185.13203	15.3
187.14804	34.5
189.03918	1.4
189.16339	16.9
191.14278	5.4
191.17950	5.2
197.13264	6.6
199.14766	16.9
201.16380	17.6
203.14319	5.2
203.17976	8.4
205.12230	2.1
205.15848	20.2
207.17349	2.5
209.13301	1.6
209.15350	3.2
211.14893	5.4
213.16368	15.1
215.06917	1.9
215.14377	4.7
215.17953	11.3
217.15829	8.3
217.19394	2.2
219.17336	5.2
221.15260	1.6
223.14810	1.4
225.16342	2.7
227.17900	8.1
229.19510	8.1
231.04922	9.0
231.17360	10.2
233.15324	2.7
233.18993	2.9
241.19484	2.4
243.17447	1.8
245.18907	2.6
249.05965	3.1
249.18433	5.0
255.21007	2.1
259.09662	2.0
267.21213	1.6
269.22482	1.4
295.24072	2.9
329.28271	2.4
335.27158	2.8
341.28210	10.8
359.29407	10.5
379.29770	10.8
397.30896	15.3
407.32913	9.8
415.31985	2.9
419.33121	22.5
425.33954	9.8
437.34052	62.6
455.35156	66.6
473.36230	14.7
721.39539	1.9
739.34930	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	738.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
57.03426	0.7
57.07055	2.2
58.06593	0.4
58.47226	0.3
60.08151	8.1
65.15985	0.2
67.05467	1.6
69.07070	0.7
71.07361	4.1
71.08605	2.2
71.27669	0.3
79.05490	0.6
81.03393	3.7
81.07021	1.3
83.08586	1.3
85.10155	0.5
86.09691	42.0
91.05441	1.1
93.07031	0.4
95.04932	0.7
95.08585	1.2
98.98424	3.0
104.10740	3.0
105.07004	0.4
107.08563	0.3
109.10188	0.5
119.08573	0.5
124.99979	28.5
184.07307	100.0
187.05560	0.3
193.12228	0.6
204.50247	0.3
223.72456	0.3
256.53668	0.3
267.15823	3.1
311.30408	0.3
313.27325	2.7
358.77115	0.3
385.58932	0.3
505.38773	2.7
626.83612	0.3
688.45416	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	738.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.9
53.08776	1.7
55.01863	3.7
55.05500	12.5
57.03424	24.1
57.07067	5.6
57.51015	2.0
67.05495	47.9
69.07054	9.9
71.04951	2.2
79.05479	49.1
81.03403	2.5
81.07043	35.7
83.04949	5.1
83.08593	3.1
85.02874	4.1
85.06488	2.0
86.35574	2.4
87.87578	2.3
91.05458	37.4
92.08775	3.4
93.07031	39.2
95.04935	13.0
95.08590	27.1
97.06488	4.0
105.07011	24.0
107.08573	15.2
109.10149	4.6
113.05965	10.6
117.07043	3.3
119.08574	15.0
121.10121	8.3
128.06181	2.6
129.06981	4.5
129.93520	2.1
131.08553	5.4
133.10107	8.2
135.11719	4.2
145.10098	2.8
147.11644	12.9
149.13274	2.5
171.11639	8.7
207.13742	4.9
255.15799	3.3
281.17474	14.7
283.15085	26.3
335.25797	17.6
368.84497	2.4
379.82635	2.4
391.28000	3.1
395.20490	19.3
500.03406	2.3
541.38818	56.8
651.44373	100.0
738.51105	87.3
756.80396	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
55.05507	12.0
62.97559	5.3
66.27901	4.9
67.05492	25.2
69.03429	11.5
69.07050	26.5
75.19650	6.4
79.05482	22.2
79.71526	5.4
81.03409	13.3
81.07043	41.9
83.08622	6.0
85.02889	35.4
89.52393	5.3
91.05472	23.1
93.07018	42.4
93.20872	5.6
95.08601	49.6
100.12756	5.6
101.28954	6.8
105.07028	33.1
107.08573	57.6
109.06462	6.9
109.10144	37.7
117.07003	7.1
119.08584	49.6
121.10094	54.7
123.11665	7.4
127.03877	11.2
129.17722	7.0
131.08563	11.0
133.10109	64.2
135.11684	38.0
140.87091	6.2
145.10106	30.7
147.11652	26.5
152.45946	5.5
157.10115	10.0
159.11670	35.6
161.13249	30.7
162.58316	6.3
173.13187	13.4
175.11304	5.8
175.14894	8.9
179.10655	10.7
187.14769	24.6
189.16405	10.7
191.17929	31.0
201.16338	6.7
204.14040	5.9
207.13716	6.7
213.16354	5.8
227.17902	9.4
229.19543	11.8
231.20975	13.3
255.21179	6.9
267.54337	6.0
271.24060	8.9
314.37564	6.4
437.34152	100.0
440.78949	6.1
455.35181	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	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.2
53.03933	7.3
55.01870	8.1
55.05505	27.9
57.03432	26.4
58.57446	1.6
61.02916	3.6
66.14362	1.8
67.05502	33.3
69.03434	4.2
69.07056	14.3
70.05469	1.9
71.01344	2.2
71.04980	4.2
79.05476	30.8
81.03402	100.0
81.07041	36.4
83.04969	8.6
83.08604	26.5
85.02900	3.2
85.06559	2.0
89.44361	2.0
91.05460	40.7
93.07024	28.7
95.04950	27.7
95.08605	18.1
97.02884	9.4
97.06512	22.3
97.10158	4.6
99.00808	21.5
99.01431	2.6
105.07020	32.6
107.04953	11.9
107.08555	18.1
109.02884	15.6
109.03504	2.0
109.06509	8.3
109.10154	9.2
111.04420	15.0
111.08065	9.6
115.03893	4.3
115.05451	2.5
115.74110	2.1
117.03313	2.0
117.07022	8.6
119.08549	24.5
121.06485	11.8
121.10152	10.0
123.04410	2.4
123.08015	4.0
123.11701	4.0
125.09647	4.5
127.03894	4.7
129.07001	9.8
131.08583	11.6
133.06456	8.6
133.10118	50.1
135.04425	2.9
135.08072	2.6
135.11719	3.1
137.02332	36.4
137.05905	2.2
141.35478	2.4
142.07835	3.1
143.08521	8.6
145.10147	5.0
147.08014	4.4
147.11658	10.8
149.09630	8.3
149.13319	2.2
151.11159	14.5
157.10124	10.8
161.02400	2.5
161.09602	22.9
163.03896	17.5
171.08084	3.1
173.02348	4.1
174.83698	1.9
175.11166	8.3
179.10669	17.4
189.09117	18.1
189.10939	2.4
191.23294	2.3
193.12190	23.0
207.10213	4.0
211.13254	2.7
215.07076	12.0
219.13786	8.7
225.11188	10.2
259.09665	15.8
267.15860	71.1
278.26953	2.3
299.14862	57.5
445.25500	3.4
463.26425	3.0
472.30127	2.5
473.25372	25.2
491.26321	98.5
509.12140	2.6
509.27448	4.8
532.99573	2.6
557.16046	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	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
55.01874	15.4
55.05511	91.6
55.05745	11.8
58.39247	9.5
64.32977	9.9
67.05491	71.7
69.03397	12.3
69.07043	21.7
69.19125	9.6
73.02927	10.0
73.87013	10.4
75.80203	8.7
79.05471	92.2
81.03435	22.4
81.07047	72.4
83.08610	23.2
91.05452	85.5
93.07029	75.8
95.04947	23.6
95.08604	54.1
105.07003	100.0
107.04955	15.2
107.08580	54.3
109.02870	18.5
109.06532	16.5
109.10173	17.3
114.36282	11.0
117.07003	23.1
119.08540	60.1
121.10100	13.4
129.07001	38.6
131.08548	53.9
133.10095	75.0
137.09586	10.9
143.08572	23.5
145.10080	22.9
147.11674	18.1
147.18459	12.2
155.08621	18.3
157.10132	11.1
159.11595	13.0
161.09593	22.7
161.13190	15.3
171.11696	15.6
185.09653	10.9
257.25641	11.8
296.20123	12.1
299.14868	23.6
410.61890	11.0
419.29587	12.8
437.29880	13.9
465.29895	16.3
483.31088	13.0
539.33514	72.9
557.34875	87.8
620.28198	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	0.3
55.05506	13.6
57.03421	0.2
58.48407	0.1
61.02913	0.1
61.61591	0.1
65.03929	0.6
68.99782	0.2
69.03418	1.7
71.04957	0.2
73.02897	0.3
73.06158	0.3
73.06541	6.5
76.03143	0.1
79.05464	0.2
80.93983	0.2
81.03404	1.9
85.02889	4.1
87.00814	2.4
91.05460	0.7
92.08618	0.3
97.02863	2.0
99.04432	0.6
102.12022	0.1
105.01851	0.8
107.04924	0.4
109.02856	1.3
109.10235	0.2
111.04403	0.2
119.08646	0.1
121.02824	3.1
121.03709	0.2
121.04073	0.2
121.31800	0.2
122.42494	0.2
127.03909	1.8
129.06996	1.2
131.04880	0.2
131.08534	1.7
131.55148	0.2
137.02295	0.7
143.04939	0.7
145.02817	0.2
145.04916	0.2
147.08069	0.2
149.02324	100.0
150.02679	0.9
157.06506	0.3
159.02861	0.2
161.05951	3.8
163.03896	1.5
164.04247	0.3
167.03351	1.7
175.07516	13.2
185.05920	0.3
203.07001	11.8
221.08057	4.4
275.12756	4.2
293.13782	34.6
294.14114	0.2
311.05374	0.2
685.22888	0.2
738.16614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01866	8.1
55.05486	17.1
56.22917	3.9
56.55874	3.8
57.03423	5.4
59.05000	4.0
63.53298	3.8
67.05479	36.0
69.03421	51.0
69.07043	21.9
71.04980	8.8
79.05464	22.7
81.03408	48.3
81.07026	41.6
83.04967	19.2
83.08599	8.0
85.02883	80.4
87.00813	33.8
91.05462	23.2
93.07012	33.5
95.04939	6.3
95.08582	57.0
97.02879	18.1
97.06525	10.2
97.10126	4.5
99.04409	10.9
105.01833	25.5
105.06998	46.4
106.02888	4.7
107.08576	39.2
109.02848	34.4
109.06481	8.0
109.10155	52.7
109.33932	4.8
111.04424	6.2
111.08077	18.9
118.68810	5.1
119.08572	48.8
121.10142	35.1
123.11685	10.6
127.03903	49.8
131.08539	21.8
133.10112	49.8
135.08035	9.4
135.11656	21.1
137.02332	7.0
137.09605	62.0
143.08530	5.3
145.04970	11.0
145.10110	32.0
147.11658	33.6
149.09599	6.6
149.13266	20.9
149.62511	4.4
156.09348	4.6
157.10132	17.5
158.10898	4.8
159.02841	8.8
159.11664	37.4
161.09650	7.8
161.13223	24.4
163.03876	19.7
163.11057	6.7
165.09071	21.6
171.11609	20.6
173.13271	22.6
175.14711	8.0
177.16348	7.4
183.08105	4.8
183.11584	6.5
185.13185	8.8
187.14793	5.8
189.12831	5.4
189.16351	9.3
197.13237	6.6
199.14917	8.9
201.16328	8.0
213.12766	8.5
215.14362	8.2
215.17917	9.4
227.17818	7.0
231.04919	7.7
233.33165	5.5
257.04266	4.6
395.29269	9.0
435.32391	26.9
453.33569	100.0
465.69229	6.2
471.34686	72.1
656.34363	4.9
719.39398	25.0
737.40576	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82026	1.2
57.03419	1.6
57.07045	1.9
58.06587	14.5
59.07362	2.5
59.38862	1.2
60.08146	2.0
67.05495	2.2
68.14386	1.2
68.34828	1.3
74.09699	1.6
74.94627	1.6
75.04459	1.4
79.05447	1.3
99.69910	1.3
104.81671	1.4
144.10184	2.6
236.14886	30.0
237.15190	2.7
244.93076	1.7
320.25284	1.8
360.93207	1.6
474.37506	2.3
482.30597	6.6
735.58612	7.5
736.52515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01861	6.9
55.05513	39.4
55.28775	3.4
57.03416	17.1
57.77120	3.4
58.03691	3.4
62.77605	4.0
66.26980	3.5
66.73364	4.4
67.05495	81.5
69.03410	18.8
69.07045	27.7
71.04969	4.3
72.76135	3.6
79.05478	89.4
81.03410	33.6
81.07048	94.9
83.04967	25.9
83.08620	7.2
85.02862	5.1
91.05463	90.7
92.08561	9.6
92.69398	4.1
93.07026	100.0
95.04972	29.7
95.08594	45.9
97.02850	8.1
97.06512	15.9
99.04441	4.7
105.07021	78.9
107.04939	17.3
107.08584	31.5
109.06526	8.8
109.10123	15.5
117.06989	26.0
119.08572	49.8
121.06516	6.1
121.10133	15.6
129.06984	26.6
131.08525	24.2
133.10121	26.4
143.08559	8.5
145.10139	25.4
147.11713	30.8
149.13228	8.0
156.09329	4.8
161.09595	7.6
161.13205	8.2
171.11620	18.4
173.04410	4.9
207.13812	9.9
268.63419	4.2
275.20105	16.5
281.17426	28.1
349.23712	17.3
475.30521	57.7
555.36432	23.1
619.34247	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	736.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.28817	4.3
55.01866	9.0
55.05500	34.2
57.03421	27.4
57.07069	74.7
58.06583	8.3
61.02919	9.7
66.56217	5.2
67.05493	69.6
69.07047	27.4
71.04974	6.7
71.08611	46.3
77.58414	4.7
79.05479	62.7
81.03407	26.5
81.07042	71.9
83.04948	38.1
83.08601	18.7
85.02891	8.6
85.10166	25.3
87.30778	4.5
88.27630	4.8
90.95066	4.4
91.05468	43.5
93.07020	75.0
95.04926	16.8
95.08597	63.3
97.02851	11.4
97.10111	8.1
105.07027	26.6
107.04955	27.0
107.08573	23.3
108.09428	5.0
109.10127	10.9
111.04407	6.4
117.06996	31.5
119.08543	24.3
121.06467	7.8
121.10088	12.5
123.08056	5.8
130.36346	5.2
131.08574	12.6
135.11670	22.6
141.06911	7.3
143.08559	6.9
145.10107	30.0
147.08090	5.4
149.09584	6.3
153.12788	10.9
153.73080	5.5
163.11205	45.8
169.10054	7.1
181.12265	8.7
190.14577	4.8
191.10651	7.0
205.85501	5.2
209.11728	32.3
215.28528	4.9
227.12788	8.7
236.14946	12.5
265.14008	6.0
279.15909	6.8
283.15469	36.3
301.16452	64.9
313.27319	91.6
335.25684	11.9
521.38269	89.7
539.39209	100.0
596.59705	5.8
736.42645	7.5
736.59912	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	734.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30466	0.8
52.34084	0.7
53.00291	4.6
53.03927	1.1
55.01862	4.8
55.05505	24.0
55.05761	1.7
57.03427	20.4
57.07067	44.2
59.05003	2.9
61.02914	6.7
65.03922	0.9
67.05492	21.5
69.03426	1.7
69.07056	10.8
71.01348	3.1
71.08241	1.7
71.08614	31.9
73.02918	1.4
79.05476	9.6
81.03395	6.1
81.06593	1.4
81.07041	29.6
83.04951	3.6
83.08608	21.5
84.01511	0.7
85.02895	7.2
85.06532	1.6
85.10168	15.1
91.03926	1.3
91.05461	23.5
93.07030	16.9
94.16328	0.8
95.04926	5.0
95.08587	21.7
97.02872	8.2
97.06513	4.5
97.10161	6.6
99.00790	24.1
103.05436	1.3
105.07011	17.4
107.04954	6.0
107.08585	7.6
109.02868	14.5
109.06511	1.8
109.10140	16.1
111.04424	1.1
111.08067	4.7
111.11739	1.0
115.03916	4.4
117.06974	3.6
119.08578	8.1
121.06491	8.4
123.04379	3.5
123.08049	1.4
123.11685	6.9
127.03900	4.2
128.06216	1.4
129.07010	1.3
133.06525	1.1
133.10115	42.0
135.08072	1.0
137.05984	1.5
137.09650	1.3
139.07509	3.9
143.08554	7.9
151.11156	12.2
161.09587	23.8
171.08052	4.4
175.27792	0.9
179.10654	11.4
189.09038	12.5
197.11719	3.5
207.10133	4.4
225.11185	11.1
236.14847	4.6
239.23671	2.0
243.12271	3.8
257.24777	1.8
281.13782	6.6
299.14850	100.0
313.27310	96.9
314.27628	1.1
369.14673	0.9
432.04507	1.1
537.37781	60.7
561.68964	1.0
649.47528	0.9
734.59625	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	734.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46342	0.1
54.81837	0.1
56.68760	0.1
77.38605	0.1
79.05475	0.8
80.06728	0.1
89.03898	4.1
107.04942	1.8
113.50681	0.1
115.03936	0.1
117.03366	5.7
120.08099	0.9
125.86835	0.1
135.04399	17.9
136.04709	0.2
141.92537	0.1
145.02835	13.1
146.03174	0.3
163.03882	100.0
164.04213	1.8
166.08609	0.1
166.77763	0.1
181.04863	0.1
242.25673	0.1
261.73849	0.1
289.56705	0.1
323.85605	0.1
341.08676	2.4
359.09659	1.7
480.98788	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	733.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
61.02917	5.7
67.05490	8.8
69.03417	2.7
73.02908	5.4
79.05468	2.8
80.44704	1.2
81.03409	1.8
81.07048	7.3
82.86665	1.1
85.02905	7.4
91.03946	1.7
91.05467	2.9
93.07029	6.9
95.08598	2.3
97.02882	6.0
105.07031	2.5
107.08589	2.5
118.67348	1.3
133.10110	3.0
184.07338	1.5
237.10938	2.2
415.85944	1.3
455.18796	2.7
519.29364	7.0
733.41119	100.0
734.41473	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	733.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
61.02917	5.7
67.05490	8.8
69.03417	2.7
73.02908	5.4
79.05468	2.8
80.44704	1.2
81.03409	1.8
81.07048	7.3
82.86665	1.1
85.02905	7.4
91.03946	1.7
91.05467	2.9
93.07029	6.9
95.08598	2.3
97.02882	6.0
105.07031	2.5
107.08589	2.5
118.67348	1.3
133.10110	3.0
184.07338	1.5
237.10938	2.2
415.85944	1.3
455.18796	2.7
519.29364	7.0
733.41119	100.0
734.41473	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	732.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.7
53.03941	1.2
54.82044	1.0
55.05506	1.1
62.40921	0.9
63.62611	0.8
67.05478	1.4
79.05464	5.3
79.98493	0.9
81.07027	2.2
85.07191	0.9
87.04440	2.2
89.06018	18.9
91.04951	1.0
91.05453	5.4
92.08682	1.0
93.07026	2.1
95.04934	1.9
95.08583	1.2
102.19024	0.9
103.05437	4.5
103.17594	1.0
105.07014	100.0
119.08498	1.3
121.06502	9.4
129.07004	1.5
131.08551	4.0
133.08586	5.3
147.08034	1.2
165.09030	1.4
170.61044	1.0
177.11201	1.8
191.88957	1.0
207.24792	0.9
221.13573	1.2
225.12682	2.0
250.69562	1.0
251.14223	5.4
313.17969	1.9
329.19064	2.2
373.21405	1.8
377.32520	0.9
384.10468	1.0
403.23160	4.5
507.29187	10.0
516.13330	1.1
611.35724	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	733.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87352	0.3
53.03942	0.9
55.01863	0.5
55.05504	3.0
57.03430	3.1
61.02915	4.4
67.05495	6.2
69.03424	3.7
69.07059	2.3
71.01332	0.8
71.04978	0.6
73.02902	4.5
73.05023	0.4
79.05470	6.5
81.03406	2.5
81.07030	5.4
81.36138	0.4
83.04973	0.7
83.08624	0.5
85.02895	4.8
91.03945	2.5
91.05450	4.6
93.07018	8.8
93.45147	0.5
95.04968	0.8
95.08579	3.4
97.02866	4.3
97.06532	0.8
97.10141	0.8
99.04425	0.6
101.02382	1.8
105.07001	3.8
107.08581	5.1
109.02852	0.6
109.10160	1.5
117.07006	1.1
119.08572	3.6
121.10123	1.0
124.76104	0.5
125.09592	0.8
127.03895	0.7
129.05502	0.5
131.08585	0.9
133.10139	2.2
135.11678	5.2
143.08565	0.6
145.10114	0.4
147.11697	1.1
159.47467	0.4
161.13235	0.8
171.33829	0.4
185.04204	0.5
185.13348	0.6
199.14864	0.5
221.11604	2.1
243.08440	2.7
255.15919	0.6
256.35391	0.5
259.20425	0.9
267.87289	0.5
298.63394	0.5
301.09125	1.0
315.10590	0.8
317.20959	0.7
373.23300	0.7
439.19266	8.2
465.21017	0.9
469.20538	0.5
511.21417	0.6
535.28650	6.8
571.36194	0.7
635.33533	0.5
731.62311	0.5
733.41187	100.0
734.40839	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	732.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82284	2.4
53.03937	13.1
54.81537	4.1
55.01869	30.7
55.05512	27.5
57.03435	44.1
61.02912	15.1
67.05495	58.1
69.03415	7.9
69.07043	8.1
73.02890	5.4
79.05479	81.6
81.03405	74.5
81.07043	43.6
83.04960	32.3
83.08614	13.4
85.02896	100.0
91.03909	5.1
91.05469	75.3
93.07026	49.0
95.04958	40.1
95.08588	22.1
97.02869	8.0
97.06509	15.4
97.10127	15.9
105.07021	74.9
107.04945	37.3
107.08588	20.1
109.06494	14.4
109.10152	14.6
111.08036	4.3
112.44085	3.1
115.05436	16.0
116.04676	13.1
116.92570	3.5
117.07017	31.7
119.08562	25.0
121.06492	14.4
121.09346	3.0
121.10089	28.6
123.08056	5.4
124.07589	3.7
125.09558	6.8
128.06198	5.4
129.05469	49.6
129.06956	48.4
131.08540	46.2
133.06479	54.2
133.10110	20.6
135.08035	16.8
135.11711	4.6
137.05971	7.1
137.09654	3.7
141.06964	14.2
142.07709	5.7
143.06966	5.7
143.08540	22.0
145.06412	4.3
145.10097	8.0
147.08032	6.8
147.11664	7.7
149.09589	17.7
151.07478	4.1
155.08553	16.8
157.08615	11.5
157.10088	29.2
161.09584	3.7
161.13196	4.1
163.11108	3.8
165.07004	4.5
166.07768	5.2
167.08601	4.2
169.10126	5.4
171.11629	25.4
173.09615	8.2
174.60023	3.2
175.11121	6.3
181.10060	13.9
187.11221	5.3
189.12819	4.0
193.12175	16.3
199.11150	20.9
199.13121	7.2
211.13219	13.7
215.14311	5.3
217.12236	5.7
223.13380	5.5
223.90543	3.5
227.12653	4.7
267.15985	4.7
285.16870	23.0
301.16510	41.1
309.16959	17.8
320.16107	4.8
325.16513	3.8
373.23639	20.9
403.19244	3.6
517.27814	4.9
535.28766	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	732.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
54.81890	1.5
55.01870	11.4
55.05506	10.0
57.03436	6.8
59.99089	3.9
61.02917	8.7
62.89804	1.4
67.05500	2.1
68.99766	2.0
69.03419	35.2
69.07130	1.8
71.04984	7.6
73.02902	8.1
73.06539	58.8
79.05476	2.8
81.03407	37.9
81.07060	2.2
85.02895	100.0
86.06049	2.6
87.00820	29.0
91.03943	2.2
91.05476	2.4
94.51729	1.8
97.02884	31.8
97.06490	2.4
99.04456	13.9
101.44773	2.2
105.01855	32.5
105.07041	2.0
106.06543	73.5
109.02872	37.9
110.50762	1.6
115.08689	3.0
117.01866	2.6
123.04437	2.2
126.70834	1.7
127.03905	58.9
129.01819	3.8
132.04771	14.2
134.06021	11.8
137.02254	2.1
145.04979	15.6
157.13370	8.9
159.02934	13.3
162.65976	1.9
163.03938	2.0
175.05347	2.7
191.11812	6.5
208.05234	5.0
213.03891	3.9
213.48373	1.7
217.10033	39.3
231.04984	19.5
249.06036	11.4
264.81659	2.0
280.11142	3.1
344.46887	1.9
355.15109	6.5
527.35022	2.4
589.39581	2.1
627.20526	7.9
732.25763	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	730.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37690	5.7
52.38932	6.7
54.45516	5.4
55.05492	5.3
56.40232	6.0
57.07074	51.3
58.06052	5.9
60.86011	5.9
67.05490	13.9
69.07063	14.7
71.08617	30.4
73.06543	6.8
74.56052	5.6
79.05486	10.6
81.07035	13.4
83.08659	7.6
85.10168	15.8
86.09706	7.0
87.04469	7.5
87.14940	6.4
89.06022	100.0
91.05473	8.8
93.07042	10.6
96.82822	6.5
107.08591	6.2
109.61847	5.6
112.79661	6.5
119.08535	10.3
122.61686	7.6
133.08585	33.5
151.68071	6.5
158.15779	6.3
177.11263	23.3
184.07408	7.8
221.13657	8.0
290.38242	6.4
299.29434	9.6
556.23560	7.5
730.56274	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	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31744	0.7
55.05513	1.7
57.03429	1.5
61.02920	5.4
64.04029	0.9
67.05499	7.5
69.03423	1.8
69.07066	1.2
73.02908	5.4
79.05463	1.7
81.07040	8.9
81.75092	1.1
85.02901	4.9
91.05474	2.4
93.07043	5.6
95.08587	4.5
97.02874	2.4
97.20755	1.0
99.04463	1.0
101.02348	1.2
104.52517	1.0
105.06982	1.6
107.08601	2.1
109.10130	1.1
123.11728	1.3
127.03893	1.2
131.08571	1.6
135.49930	1.1
139.27805	1.1
149.13348	1.4
176.90692	1.1
360.86188	1.3
407.88495	1.4
453.21097	9.9
519.29028	2.2
731.43280	100.0
732.44012	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	729.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43567	0.3
55.05493	0.7
57.03415	1.7
58.07934	0.4
61.02908	0.6
67.05508	3.2
67.48591	0.4
69.03403	2.8
69.07056	0.8
79.05447	0.7
81.03403	2.6
81.07040	3.3
83.08578	0.9
85.02910	5.2
85.03335	0.6
85.06535	1.1
87.00800	3.1
91.05447	1.6
93.07003	2.1
95.08586	2.8
97.02872	2.3
98.98299	0.4
99.04443	0.6
105.01843	2.0
107.05022	0.4
107.08546	0.7
109.02862	1.7
109.10155	4.7
117.07034	0.5
119.08553	2.4
122.07278	1.0
123.11653	0.7
127.03878	2.4
137.09615	12.2
138.77875	0.4
145.10057	0.4
149.09523	0.6
159.50146	0.4
164.46315	0.4
165.09090	100.0
166.09439	0.6
205.12186	0.7
293.28461	1.8
299.78970	0.5
313.26337	0.6
427.35657	0.7
445.36658	3.6
491.48209	0.5
568.15656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
54.82492	1.1
54.91651	0.9
55.05509	2.7
55.76934	1.0
57.03432	2.1
57.87509	1.0
59.05013	1.2
61.02917	4.5
61.51580	1.0
66.20396	1.1
67.05499	5.6
69.03422	4.9
69.07064	2.2
71.04975	1.2
73.02900	4.6
79.05491	4.7
83.05017	1.5
83.08604	2.7
85.02901	8.0
91.03929	2.3
91.05460	8.4
93.07040	6.0
95.04991	3.8
95.08587	5.8
97.02889	6.3
97.06535	1.8
101.02361	1.4
105.07048	2.7
107.08612	4.3
109.10198	2.3
118.59669	1.0
119.08576	4.5
121.10136	2.0
127.03877	1.0
129.07001	1.2
131.08566	2.6
133.10127	2.1
136.76892	1.1
139.80838	1.1
149.09647	2.6
163.11179	1.2
165.09152	1.4
175.11174	1.8
192.42738	1.2
193.12256	1.4
283.15158	4.7
469.20416	12.7
492.46268	1.3
500.58923	1.3
501.23071	12.2
538.51282	1.3
580.18079	1.3
729.36560	100.0
730.37463	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	728.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86042	0.9
55.05492	1.6
57.03418	5.5
57.07059	4.9
58.06588	35.2
59.07366	12.5
60.08148	9.5
67.05485	6.9
69.07045	1.3
71.08594	2.0
75.04455	2.4
79.05461	5.4
81.07018	4.5
83.08517	1.1
85.02855	1.4
85.10166	1.6
87.04427	6.4
91.05459	1.7
93.07009	2.9
95.04932	1.7
95.08575	2.6
98.28703	1.3
100.13634	1.1
107.04889	1.4
115.52634	1.0
119.08566	1.2
121.10121	1.1
144.10191	13.5
162.11203	6.7
208.22920	1.3
236.14882	100.0
390.24649	1.8
422.25946	1.5
440.26007	2.7
456.36975	8.2
474.37796	17.9
628.47894	15.7
647.64001	1.2
678.49219	48.7
696.50256	16.2
713.69971	1.3
728.53387	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	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96508	0.4
53.00288	1.0
53.03928	1.5
55.01866	8.2
55.05236	0.6
55.05502	16.3
57.03422	13.4
57.07062	1.5
61.02911	2.8
62.68620	0.6
63.81971	0.7
65.03921	2.3
67.05490	69.9
68.71950	0.5
69.03413	3.4
69.07052	18.6
71.04978	5.4
71.08617	1.1
71.54733	0.6
73.02903	1.3
79.05006	0.9
79.05471	36.2
81.03396	5.7
81.07037	67.2
83.04961	8.3
83.08618	7.2
85.02903	3.8
85.06518	5.5
91.05459	44.2
93.07021	39.9
95.04946	8.1
95.08585	31.1
97.02868	2.4
97.06507	4.7
97.10131	1.3
99.04411	1.2
105.07014	41.3
107.08573	43.0
109.06512	6.8
109.10143	66.3
111.08076	0.9
113.05973	3.1
117.07020	4.8
119.08551	10.4
121.10121	9.4
123.08059	1.3
123.11688	12.3
125.09627	0.7
127.07529	4.1
131.08533	8.3
133.10103	66.6
134.10481	0.7
135.11655	7.2
143.08545	2.8
145.10110	5.0
147.11670	2.5
149.13261	2.9
151.09970	1.4
151.11154	30.3
151.12334	1.1
158.18001	0.6
159.11646	2.8
161.09685	2.1
161.13222	2.8
163.14734	0.8
164.32759	0.6
169.12225	4.1
173.13263	3.1
173.40826	0.7
177.16382	0.7
177.88631	0.5
181.72324	0.6
187.14729	0.7
193.67020	0.6
215.12732	1.3
236.14813	0.6
237.32266	0.6
242.01598	0.8
243.20976	3.0
249.15797	0.6
253.14287	100.0
254.14685	1.0
261.22055	8.8
271.15329	23.8
313.27292	1.0
317.24762	1.3
335.25726	42.6
431.53821	0.7
457.32855	0.8
513.35498	7.5
531.36713	52.4
532.36853	1.3
619.92798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
53.03929	3.7
53.51628	0.7
55.01854	4.0
55.05505	32.0
56.57726	0.7
57.03431	24.1
57.07053	5.0
61.02903	4.5
65.03919	1.0
67.05492	76.0
69.03411	1.8
69.06720	1.2
69.07057	25.6
69.40189	0.7
71.01336	3.5
71.04979	5.4
73.02896	1.2
76.82101	0.7
79.05473	91.3
81.03402	7.0
81.07037	59.4
82.93197	0.9
83.04961	12.5
83.08587	8.3
84.24485	0.8
85.02877	4.4
85.06557	6.3
91.05457	85.2
93.07021	100.0
94.07339	0.9
95.04942	10.2
95.08582	34.8
97.02898	1.4
97.06507	13.3
97.10143	12.3
99.08038	2.9
103.05466	1.4
105.04460	1.2
105.07012	82.0
107.04918	1.6
107.08574	61.1
108.58653	0.8
109.06503	4.5
109.10145	16.5
110.33353	0.8
111.08060	4.0
114.18604	0.9
115.05435	1.8
117.06997	25.5
119.08556	66.2
121.06484	1.4
121.10121	26.6
123.08002	2.1
123.11658	3.9
125.09605	2.0
128.06145	1.7
129.06978	12.0
130.07794	2.0
131.08539	29.6
131.09541	1.1
133.10104	54.4
135.08095	3.6
135.11670	57.1
137.09656	2.9
139.11201	1.0
141.06973	1.2
142.07787	1.1
143.08536	12.3
145.10110	32.6
147.08012	0.8
147.11662	46.0
149.09607	1.7
149.13237	7.5
150.89549	0.9
151.11160	1.2
153.12662	1.2
155.08530	1.9
157.10135	10.5
159.11652	19.5
161.13231	25.0
163.11119	6.4
163.14775	3.7
169.10112	2.0
171.11646	13.4
173.13242	13.3
175.14793	11.2
181.10033	0.9
181.12207	7.6
183.11671	4.4
185.13235	10.8
187.14752	4.4
189.12804	1.3
197.13280	1.6
199.14761	6.6
211.03447	0.9
211.14792	1.2
213.16367	1.0
215.17859	1.3
231.17500	1.2
231.21063	5.1
241.19450	29.3
253.14200	8.0
255.15845	56.1
259.20505	71.1
261.22183	1.7
285.28952	1.1
315.23148	6.2
333.24158	32.2
387.79865	0.9
421.30951	4.9
439.31818	3.9
495.34549	3.9
503.37234	1.5
513.35669	66.7
514.36700	1.3
531.36865	21.7
736.41455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38895	4.3
53.03926	6.5
55.01894	5.7
55.05503	14.0
57.07069	8.1
59.04002	5.3
59.44423	5.1
61.02903	5.2
61.13280	5.2
67.05491	10.0
69.03423	23.4
69.07048	31.7
69.11722	5.2
79.05476	21.7
81.03407	25.8
81.07043	27.8
83.08618	23.0
85.02895	30.0
87.00814	13.6
90.80353	5.9
91.05460	38.4
93.07026	22.5
95.08577	34.5
97.02858	12.8
105.01837	7.3
105.07014	36.4
107.08576	29.1
109.02897	22.0
109.10139	10.9
117.07011	6.7
119.08572	23.8
121.06496	9.7
121.10136	13.4
125.09633	6.4
127.03872	30.1
129.06970	9.8
131.08578	12.4
133.10133	24.6
142.46347	5.6
143.08562	7.8
145.10135	11.1
147.08063	7.0
147.11661	9.3
149.09637	7.7
157.10147	12.4
165.09094	7.1
173.09636	8.0
177.76021	5.8
289.72186	5.3
381.71124	6.7
427.35593	28.8
445.36768	100.0
463.37610	28.9
467.82230	9.4
520.05505	7.1
522.52386	6.1
531.29309	21.6
744.75909	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	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.3
53.03930	3.6
55.01862	2.0
55.05508	20.2
57.03431	20.3
57.07063	4.1
59.09185	0.8
61.02902	6.2
65.03918	1.3
67.05493	74.0
69.06712	1.3
69.07057	26.0
71.04955	1.6
73.02871	1.4
79.05477	57.5
81.03395	1.5
81.07039	96.2
81.31892	0.9
83.04961	6.8
83.08596	12.8
85.02885	2.2
85.06512	1.7
91.03970	1.3
91.05460	28.4
93.07026	74.5
95.04961	9.9
95.08584	46.7
97.06515	9.0
97.10118	1.3
99.08105	1.5
99.86167	0.9
105.07014	17.4
107.08583	36.2
107.38156	1.0
109.06472	4.2
109.10137	15.4
111.08123	2.7
117.06993	10.1
119.08591	10.4
121.10117	29.8
123.07959	1.2
123.11642	3.9
131.08545	13.3
133.10104	10.6
135.08040	1.0
135.11661	10.9
137.13232	1.5
145.10106	5.3
147.11676	4.5
149.13220	22.2
159.11633	11.9
161.13177	1.6
161.16298	0.9
173.13177	1.7
175.14827	1.1
177.12704	3.9
195.13795	2.1
243.21019	1.7
261.22070	7.7
269.17419	40.9
317.24521	1.3
335.25754	53.1
387.48694	1.0
391.19791	1.0
410.43094	1.1
469.20352	1.1
529.38788	100.0
725.44019	5.6
726.44897	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	726.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03164	1.4
53.00298	2.0
53.03929	1.8
54.82260	1.8
55.01861	12.2
55.05514	18.6
57.03414	10.4
67.05493	36.3
67.52316	1.8
69.07054	20.9
79.05475	35.2
81.03396	9.5
81.07041	36.1
83.04969	8.6
83.08601	3.5
85.02853	1.9
90.50577	1.7
91.05460	37.9
93.07015	42.0
95.04961	4.2
95.08599	18.2
97.06493	21.0
97.10165	3.9
105.07016	43.2
107.04934	15.8
107.08572	24.2
109.06570	2.1
109.10106	3.6
111.08115	2.5
117.06969	4.2
119.08551	22.1
121.06495	2.1
121.10155	3.7
127.07561	1.9
129.06944	2.5
131.08546	11.3
133.10124	26.1
135.11685	22.8
137.43791	2.0
145.10129	10.0
147.11682	10.0
149.09584	4.4
159.11699	3.4
163.11163	3.6
179.14317	7.1
181.12112	2.2
184.07172	2.1
255.15860	30.8
275.20041	28.9
349.23547	10.2
369.18216	1.9
529.35144	100.0
530.35504	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	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01867	11.8
55.05504	39.0
57.03430	29.4
57.07061	3.2
61.02914	52.9
67.05490	82.1
69.03424	21.6
69.07051	35.6
71.04966	8.9
73.02896	23.0
79.05472	86.7
81.03393	23.9
81.07035	95.1
83.04958	15.3
83.08607	17.1
85.02892	57.7
85.06532	3.2
91.03934	31.8
91.04880	2.6
91.05455	82.2
92.08743	2.7
93.07021	100.0
95.04955	16.1
95.08574	47.2
97.02875	33.3
97.06528	13.4
97.10136	5.8
99.04430	3.6
99.08060	3.4
103.23705	1.6
104.26367	1.9
105.07007	79.2
107.04939	10.3
107.08572	57.2
109.02827	3.2
109.06495	9.1
109.10121	18.7
111.08052	6.9
114.37689	2.0
115.03954	2.8
117.06998	28.5
119.08560	60.8
121.06517	2.8
121.10108	35.7
123.04394	2.0
123.08050	6.9
123.11701	7.0
125.09587	3.5
127.03893	15.2
129.05507	2.5
129.06973	12.4
130.07692	2.3
130.23994	1.9
131.08546	30.2
133.06474	2.5
133.10104	59.8
135.08040	10.0
135.11687	23.6
137.09631	2.2
142.07748	1.7
143.08525	13.5
145.04922	15.0
145.10085	23.0
147.11655	40.7
149.09627	11.6
149.13203	20.9
151.11118	1.7
155.08528	2.5
157.10066	12.3
159.11667	37.0
161.09644	2.2
161.13223	27.2
163.06024	7.8
163.11095	7.2
165.09129	2.5
171.11658	15.4
173.04326	1.9
173.13246	14.1
175.14803	6.3
177.12711	10.4
179.14226	2.0
183.11636	2.3
185.13268	8.5
187.14822	3.8
195.13785	7.4
199.14821	6.8
241.19501	11.4
257.19135	2.8
259.20493	41.5
269.17401	53.8
275.20041	12.5
281.17349	1.9
291.96515	1.8
349.23676	23.7
351.25198	67.4
401.16003	2.0
478.54535	1.8
495.29019	2.7
605.07965	1.9
638.56506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.5
53.03930	5.5
53.22039	0.8
55.01863	6.7
55.05500	28.2
57.03172	1.6
57.03428	27.0
57.07058	2.5
61.02912	42.0
65.03925	2.4
67.05490	65.8
69.03411	16.1
69.06710	1.5
69.07052	32.8
71.01336	1.2
71.04980	9.5
71.08578	0.8
73.02902	16.2
75.04469	1.8
75.42188	1.0
77.65007	0.8
79.05470	81.0
81.03396	17.5
81.07034	84.6
83.04964	16.2
83.08595	18.1
83.20381	0.9
85.02881	44.5
85.06538	4.6
87.04447	1.4
91.03938	26.6
91.05453	71.0
93.07018	100.0
94.81888	1.0
95.04948	16.5
95.07998	1.9
95.08579	42.5
97.02866	26.7
97.06499	15.4
97.10140	4.1
99.04414	5.1
99.08062	5.8
101.62743	1.2
103.03935	1.0
103.05439	1.8
105.04499	1.8
105.07008	67.6
107.04936	8.3
107.08568	62.0
109.02872	2.4
109.06478	6.3
109.10130	18.1
111.08067	7.5
115.03902	1.5
115.05429	4.7
116.06182	1.0
117.06998	23.4
119.04855	1.2
119.08556	50.8
121.06472	6.6
121.10105	36.7
123.08061	4.3
123.11671	6.2
125.09583	1.8
127.03879	12.1
128.06207	1.7
129.05409	1.9
129.06985	10.7
131.08528	33.2
133.06496	2.0
133.10100	44.8
135.08038	5.5
135.11658	26.2
137.09622	3.8
139.11179	1.4
141.06975	1.9
142.07750	1.2
143.08539	12.5
145.04947	8.5
145.10107	23.8
147.08046	2.1
147.11656	30.5
149.09598	12.1
149.13226	22.2
151.11227	1.4
155.08537	1.6
157.10057	8.7
159.11629	23.9
161.09604	2.1
161.13203	15.9
163.06004	8.4
163.11113	5.3
163.14796	2.4
169.10074	1.8
171.11565	12.4
173.13220	10.8
175.14769	6.1
177.12752	7.8
179.14294	1.6
180.08911	1.0
183.11629	1.9
185.13191	8.9
187.14790	2.2
189.12762	1.0
191.14317	1.5
194.87512	1.0
195.13777	6.4
197.13200	1.6
199.14801	6.9
213.16376	2.0
217.15823	1.6
231.21088	1.9
234.94803	1.1
241.19405	11.0
247.20602	1.4
255.15814	1.6
257.18973	4.5
259.09937	1.0
259.20514	32.6
269.14517	2.2
269.17407	54.1
275.20010	14.0
277.21625	1.9
281.17319	1.6
289.29330	1.2
333.24231	4.8
349.23676	27.0
351.25223	61.6
363.25238	1.1
413.21548	1.8
431.22601	1.6
441.26071	1.7
459.26685	1.4
477.28363	1.7
495.29254	4.9
719.02472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86662	0.6
55.01858	0.9
55.05512	6.5
55.05740	0.9
57.03440	1.1
57.07058	3.3
59.04981	0.6
61.02906	0.7
67.05141	0.9
67.05491	19.8
68.99756	0.6
69.03421	4.7
69.07051	8.2
71.04985	1.2
73.02915	0.8
79.05476	7.6
80.31329	0.5
81.03379	4.6
81.07043	15.5
83.04965	0.9
83.08605	8.4
85.02895	7.4
87.00814	1.4
91.05448	5.6
92.16022	0.6
93.07014	10.6
95.04945	1.4
95.08586	14.3
97.02872	3.8
97.06518	3.2
97.10143	3.5
99.04433	0.9
105.01829	0.8
105.07011	9.4
105.80798	0.6
107.04939	1.3
107.08564	12.2
109.02875	3.1
109.06496	0.9
109.10146	65.8
111.04437	0.8
111.08067	0.9
117.07011	1.4
119.08575	6.7
121.06501	6.6
121.10124	6.5
123.08042	0.9
123.11675	3.1
127.03895	3.7
127.10291	1.2
127.11169	23.4
131.08534	5.4
133.06447	0.8
133.10130	6.2
135.08035	3.7
135.11691	3.3
137.02336	1.1
137.05908	1.3
137.13237	2.9
143.08542	5.2
145.06386	1.2
145.10106	7.8
147.08018	3.6
147.11691	7.3
149.09608	2.4
149.13248	1.5
155.08563	1.5
157.10120	1.5
159.02802	0.8
159.08034	2.7
159.11679	3.7
161.09584	2.9
161.13216	2.7
163.11160	1.4
165.09073	1.3
169.10095	1.2
171.11615	1.4
173.09613	10.2
173.13208	0.7
175.11179	1.4
175.14787	0.7
181.09962	0.6
183.11665	1.4
185.09560	1.1
185.13275	1.4
187.11121	0.9
187.14890	1.0
189.09032	2.2
191.10600	7.5
197.13249	1.3
201.16531	0.7
206.68452	0.7
209.11586	4.3
211.11180	1.3
211.14926	1.0
225.16403	0.9
227.14322	4.7
229.15753	2.6
235.58815	0.7
239.17908	1.1
257.18912	0.9
267.17340	4.4
285.18408	5.6
289.17914	0.9
297.21982	0.9
301.18039	1.4
302.18750	1.0
303.19632	5.3
316.68875	0.7
333.24146	0.7
343.22629	2.5
357.24323	0.9
411.83701	0.8
441.33658	6.0
459.34586	15.2
477.35684	100.0
478.36014	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	724.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04209	3.7
53.19055	4.1
54.82083	5.7
55.05499	26.6
57.03423	21.4
57.04022	5.1
57.07071	6.1
59.12183	5.3
61.02892	4.7
66.38612	4.9
67.05207	4.6
67.05498	59.1
69.07045	20.1
75.00210	4.5
75.59646	4.4
76.06805	4.4
79.05479	59.7
81.03399	100.0
81.07043	70.4
83.04992	7.3
83.08601	24.2
85.02872	7.9
91.05461	22.1
93.07026	46.1
95.04964	30.3
95.08588	36.6
97.02892	4.8
105.07008	29.7
107.08580	27.4
109.10165	22.1
111.08103	6.7
119.08534	22.6
121.10104	12.5
129.07079	8.6
131.08554	11.3
133.10092	8.5
147.11604	5.3
147.50572	4.8
149.09583	5.7
157.10077	6.0
157.42273	4.8
159.14458	6.1
173.13425	6.1
193.12236	10.4
261.22198	7.9
267.15912	57.9
282.97568	5.8
319.82053	5.5
335.25650	41.9
527.37329	31.1
545.38202	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	724.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02426	3.8
53.03944	4.1
54.81740	3.8
55.05502	26.1
57.03428	33.2
59.04977	4.6
60.17630	4.5
67.05493	90.0
67.43789	4.2
69.07057	27.3
75.91227	4.4
79.05475	100.0
81.03394	18.6
81.07048	89.9
83.04967	41.4
83.08627	5.6
87.00282	5.0
91.05453	94.5
93.07027	71.7
95.04927	24.9
95.08584	53.0
97.06597	4.5
98.51308	4.4
99.01208	4.3
105.07014	70.9
107.04952	21.2
107.08589	23.5
109.10165	18.7
109.65672	4.2
117.06973	5.8
119.08541	38.3
121.10131	19.4
122.16219	4.3
129.06964	11.2
131.08556	31.0
133.10100	41.1
135.11694	8.9
145.10077	8.6
147.11667	19.7
149.09639	7.5
150.32043	5.5
157.10130	28.4
193.12209	7.4
261.22202	6.2
267.15814	99.2
335.25781	44.4
444.02121	5.0
474.69647	5.5
527.37213	87.2
551.33057	5.5
683.39673	5.2
714.09393	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.8
55.01859	3.4
55.05505	18.3
57.03172	1.1
57.03430	16.9
59.04975	0.7
59.88689	0.6
61.02897	0.9
62.04155	0.6
63.33367	0.6
65.03925	1.1
67.05146	1.0
67.05495	23.1
69.03409	7.2
69.07062	6.9
70.02951	0.6
70.10742	0.7
71.04967	3.8
71.27464	0.7
71.86578	0.7
73.02893	0.7
79.05481	25.1
81.03403	100.0
81.06598	1.3
81.07043	30.9
83.04973	15.2
83.08608	24.6
85.02895	16.9
85.06524	1.5
91.04883	1.1
91.05462	30.1
93.07026	19.8
95.04948	36.2
95.08596	11.4
97.02866	4.7
97.06506	5.1
97.10136	6.5
99.08104	0.8
105.07011	26.3
107.04945	8.7
107.08590	11.0
109.06503	9.1
109.10151	5.4
111.04412	1.7
111.08070	10.2
113.05957	0.8
114.38471	0.7
115.05416	1.8
117.06997	4.2
119.04942	0.8
119.08566	21.3
121.06464	4.7
121.10122	13.0
123.08035	3.6
123.11649	0.8
125.09636	5.1
129.06972	16.8
131.04922	1.0
131.08530	14.1
133.06458	6.0
133.10127	9.9
135.08035	1.4
137.02315	1.5
137.09604	2.7
139.11064	0.8
142.07750	5.4
143.08592	1.4
145.06490	6.1
145.10114	4.2
147.08049	5.2
147.11671	14.3
149.09619	8.7
157.10114	16.1
159.08043	1.3
159.11728	0.9
161.09515	1.1
163.11192	3.0
165.12714	1.8
167.08444	0.7
169.10100	1.1
171.08046	1.4
171.11705	1.2
175.11169	15.5
183.08037	0.8
185.13181	0.7
187.11220	0.9
189.12749	0.9
193.12213	34.7
195.11771	0.7
197.13248	0.8
199.11015	1.1
211.11324	1.1
211.13258	14.8
237.12817	2.5
255.13727	1.5
267.15860	75.7
273.14780	5.8
283.15204	1.2
285.17017	10.6
341.20999	1.6
349.21582	3.1
365.23251	4.1
367.22589	6.6
385.23761	6.4
403.24478	2.9
433.25845	12.8
441.26175	6.3
459.27322	61.9
477.28397	37.3
706.46112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.81977	0.5
55.01864	12.9
55.05503	7.2
57.03210	0.5
57.03431	6.5
57.07066	1.1
59.04988	0.6
61.02907	2.0
61.29159	0.4
63.35260	0.4
65.03922	1.0
67.05141	0.9
67.05492	24.9
69.03410	2.5
69.07056	5.1
71.04983	4.0
73.02911	1.0
79.05474	17.0
81.03405	5.6
81.07038	18.3
83.04967	34.4
83.08610	7.5
85.02894	6.6
85.06526	3.1
91.05469	9.8
92.08595	1.0
93.07027	23.9
95.04953	7.2
95.08583	9.5
97.02874	2.0
97.06519	12.0
97.10126	0.8
99.04444	6.6
99.08092	3.4
101.02357	1.1
105.07014	4.6
107.04952	5.2
107.08573	15.7
109.06494	1.2
109.10157	12.6
111.04428	80.8
111.08065	25.7
113.05985	0.6
116.04649	0.6
116.43973	0.4
117.07018	5.8
119.08567	9.1
121.06488	3.9
121.10123	19.6
123.04427	0.5
125.05962	3.6
125.09585	0.8
127.03907	0.7
129.05496	3.4
129.07002	3.7
131.08546	9.3
133.10118	2.7
135.04384	0.8
135.08044	2.1
135.11674	28.8
137.02342	2.7
139.07536	0.8
143.08627	0.6
145.06570	0.6
145.10104	23.7
147.08087	0.9
147.11655	6.5
147.98428	0.5
149.09595	8.1
153.12723	47.3
155.08527	3.2
162.02620	0.5
163.03896	2.0
163.11150	57.9
165.09140	0.9
173.02354	0.6
173.09570	12.9
175.11134	0.6
181.12207	62.4
191.10638	46.3
192.11075	0.5
193.12169	2.3
209.11707	9.6
211.13290	1.8
225.11137	0.5
227.12753	43.0
228.13255	0.6
259.09518	1.9
267.15909	1.0
283.15350	100.0
284.15765	1.6
285.16962	0.8
299.14859	1.0
301.16397	22.8
302.16653	0.6
317.15683	1.0
355.27881	0.5
388.95154	0.5
459.27499	0.8
491.26321	2.8
509.27393	78.5
510.27527	0.9
527.28430	30.8
528.28528	0.6
549.29297	0.5
557.17218	0.8
590.96393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01870	40.4
55.05262	3.4
55.05507	56.9
56.05835	2.0
57.03431	42.5
57.07057	4.6
59.04974	2.4
61.02926	17.9
62.93059	1.8
65.03918	2.5
67.05495	71.2
69.03432	18.8
69.07059	18.2
70.04193	2.6
71.01337	2.3
71.04972	4.6
73.02898	13.8
79.05473	74.5
79.29545	2.1
81.03404	40.8
81.07037	48.8
82.04169	15.7
83.04968	33.6
83.08614	28.0
83.24632	2.2
85.02887	15.8
85.06545	3.6
87.04481	2.6
91.03951	3.7
91.05470	44.5
92.08624	4.2
93.07030	43.3
95.04961	44.4
95.08583	24.9
97.02882	16.0
97.06503	21.8
97.10153	38.6
98.07310	17.2
103.25500	2.2
105.07014	31.7
107.04938	17.5
107.08564	31.3
109.06510	11.6
109.10152	20.3
111.04475	3.8
111.08064	12.0
116.04686	33.5
117.07030	15.1
119.08553	25.0
121.06504	4.5
121.10107	15.9
123.08054	10.9
125.09612	38.1
127.03936	2.6
129.05458	90.7
129.06911	16.1
131.08553	14.7
133.06487	2.6
133.10066	16.3
135.08066	4.5
135.11673	11.0
136.08742	2.5
137.02289	3.3
137.09589	3.9
142.07716	2.9
143.07018	15.8
145.10107	13.7
147.08017	4.1
147.11691	14.6
149.09610	9.7
153.09099	4.1
153.12679	3.5
157.08598	42.1
157.09938	6.4
163.11177	14.1
165.12756	3.1
171.10115	12.1
173.09554	2.7
173.11743	2.8
175.11130	9.3
189.11186	17.0
193.12242	9.0
199.13338	16.1
200.14070	3.5
209.11713	11.2
210.12335	4.8
227.12729	22.3
229.14417	4.3
255.16028	3.0
267.15973	15.7
283.15427	16.3
301.16412	100.0
355.17587	2.8
391.63928	2.4
444.10989	2.3
455.26318	8.5
459.26862	4.9
477.28201	8.9
493.27661	9.1
509.27246	4.7
510.27832	3.4
527.28418	82.2
646.58661	2.6
674.30719	2.2
749.16107	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	723.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
56.18185	2.4
57.07061	7.2
60.27069	2.3
61.02913	4.0
61.66985	2.5
67.05495	13.3
69.07082	2.8
71.08607	4.5
75.45510	2.6
79.05486	3.3
80.50532	2.5
81.03381	3.6
81.07030	11.3
82.48793	3.0
88.38555	2.9
93.07027	5.8
95.08616	6.7
97.02874	4.4
97.10112	2.6
109.10131	12.8
110.47361	2.8
127.94530	2.8
135.11665	3.6
140.78352	2.7
144.53876	3.0
163.11206	3.7
244.11711	3.5
249.10992	5.5
311.25549	3.5
348.07367	3.3
365.96448	3.3
467.18811	11.4
467.37683	4.0
497.30542	6.0
507.40009	5.5
589.48651	3.5
649.09229	3.8
723.42609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
54.27985	2.4
55.01624	4.0
55.01867	66.2
55.05498	19.6
57.03425	5.9
57.07069	5.0
57.17611	2.4
59.04990	15.3
67.05496	45.6
69.03417	44.0
69.07059	28.0
70.23167	2.9
71.04979	5.4
73.02895	5.1
79.05478	22.2
81.03406	31.3
81.07040	54.6
83.04974	3.5
83.08598	15.5
85.02892	51.8
85.06548	3.3
87.00808	17.5
87.10104	2.7
91.05473	24.7
93.07018	62.5
95.08588	85.4
97.02862	16.8
97.06506	100.0
99.04445	13.6
105.01849	6.7
105.07018	44.0
107.08570	69.7
109.02868	16.1
109.06519	7.8
109.10138	52.1
111.08063	12.7
115.07548	68.9
119.08568	60.1
121.10133	51.6
123.08043	14.8
123.11687	22.1
125.05959	13.0
125.09598	49.8
127.03886	23.5
129.06961	3.7
131.08556	16.7
133.10120	51.1
135.08086	3.9
135.11678	40.9
137.02342	29.7
137.09566	4.6
137.13210	13.5
139.11157	3.2
141.09087	15.5
143.07033	17.2
143.08530	14.0
145.04935	4.9
145.10123	30.7
147.11682	50.3
149.09589	4.7
149.13249	18.2
157.10089	19.0
159.02882	11.7
159.11636	31.3
161.13242	21.5
163.03889	22.3
163.11113	3.4
163.14774	7.0
164.04231	7.2
165.09132	5.3
167.10532	3.5
169.10182	3.2
171.11679	15.0
173.13194	25.3
175.14771	14.0
177.16338	6.5
185.13245	7.6
187.14790	20.9
189.16335	26.7
191.17912	30.3
193.12177	3.3
197.86324	3.3
199.14822	13.1
201.16336	18.6
203.14233	3.5
203.17900	7.8
207.17458	4.0
213.16370	13.0
215.17972	13.6
217.19481	4.1
225.16484	4.1
227.18051	4.2
231.05086	4.8
231.17300	4.7
237.16302	3.6
259.09500	6.8
291.19754	4.0
337.28906	12.0
343.29651	25.3
403.33340	4.5
409.34384	5.3
421.34601	39.3
439.35663	80.4
457.36411	15.2
620.06244	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	723.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11592	2.0
52.31529	1.8
54.81945	2.1
55.05489	2.2
57.07063	5.3
60.85986	1.9
60.96903	2.1
61.02910	4.5
64.33578	2.0
66.22909	2.6
67.05511	8.3
69.07056	3.7
71.08614	3.3
75.57388	2.1
76.72794	2.3
79.05479	4.1
81.07037	5.2
82.71445	2.0
83.04961	2.0
83.98302	2.1
85.02895	2.9
85.10216	2.1
85.57404	2.0
88.47056	1.8
91.03944	3.4
91.15499	1.8
93.07050	2.2
95.08616	3.7
97.02861	3.4
107.08592	3.0
109.06553	3.6
109.10135	3.8
121.06422	2.2
131.08505	2.8
144.75891	2.4
165.12729	4.6
185.04086	2.3
217.09183	2.3
243.08476	2.2
262.22266	3.6
274.15448	2.3
289.21616	3.9
307.22504	2.2
376.18176	2.5
467.18747	9.2
467.37296	3.3
497.30667	5.1
669.46460	3.9
670.47125	3.8
723.42633	100.0
724.41937	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	723.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92686	2.1
56.96556	40.7
58.26955	2.4
59.02436	2.2
84.96003	16.8
92.34052	2.9
98.97566	68.5
110.97559	13.9
116.98598	55.7
128.98592	43.3
131.00171	6.5
134.99628	31.5
143.00090	4.3
146.99644	41.0
149.01172	3.7
158.99626	6.1
161.01178	33.6
163.03877	5.6
170.99638	3.1
177.00734	13.6
179.02261	6.5
189.00674	12.4
201.00618	6.6
207.01804	3.1
211.02760	5.8
219.01697	39.2
237.00635	11.9
237.02776	100.0
255.01711	31.3
255.04056	6.6
262.18735	3.2
273.02744	51.4
320.69800	3.4
323.04279	4.2
333.02658	11.1
351.03629	4.0
366.84381	2.9
381.04648	24.1
381.11530	6.7
399.05887	94.5
474.39661	3.0
543.09869	5.3
545.09393	3.2
561.08795	11.0
723.14771	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	723.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71858	0.2
52.42984	0.3
54.24581	0.2
58.79827	0.2
59.24776	0.2
86.50870	0.2
107.83790	0.2
112.72275	0.3
142.34123	0.3
158.54692	0.3
261.02805	0.3
331.23016	0.3
352.83508	0.3
381.07877	100.0
382.07886	0.4
487.16122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.05503	9.4
55.85789	1.0
57.03445	1.1
57.07063	6.1
57.16255	0.9
61.02915	1.4
61.35818	0.9
65.44932	1.0
67.05492	25.7
67.41260	0.9
69.03429	8.4
69.07061	6.8
79.03239	0.8
79.05492	6.0
79.98432	1.0
81.03410	7.7
81.07034	16.9
83.04972	2.6
83.08594	14.2
85.02888	8.9
87.00812	2.3
89.91973	1.1
91.05492	5.3
93.07015	7.3
95.04964	1.4
95.08576	13.5
97.02865	2.1
97.06525	6.7
97.10168	1.4
105.06996	9.4
107.04927	1.3
107.08566	11.8
109.02871	5.5
109.06535	1.3
109.10139	100.0
117.07000	2.4
119.04945	1.2
119.08567	6.6
121.06500	2.3
121.10105	2.1
122.57170	1.0
127.03904	7.3
127.11168	44.4
127.12139	1.5
128.97009	1.1
129.06961	1.7
131.04784	1.2
131.08548	4.8
133.06479	1.6
133.10117	5.4
135.07988	1.8
135.11623	1.5
137.02322	46.4
137.03403	2.2
137.05974	6.3
137.13232	6.6
138.02617	8.5
143.08511	8.0
145.10109	9.1
147.08087	2.1
147.11717	2.4
149.09641	1.7
149.13271	1.8
155.08557	2.2
155.14287	1.6
157.10115	4.4
159.08023	1.8
159.11626	4.2
161.05931	1.3
161.09583	2.0
161.13277	1.5
163.03883	7.5
164.04256	1.7
171.08090	1.7
171.11656	2.3
173.09631	11.1
173.13188	2.2
175.14792	4.8
177.05414	1.3
181.10117	2.0
183.11668	4.0
185.09613	2.5
185.13220	2.2
189.09113	7.3
191.10674	4.7
195.11664	2.6
197.13234	4.3
199.11160	4.6
199.14809	1.4
200.17101	1.3
207.11769	2.2
209.13293	1.5
211.11153	2.4
213.12805	2.6
215.07039	4.7
217.12381	1.9
221.13197	1.1
225.12770	5.7
227.14343	2.1
231.13863	1.7
237.16315	2.0
239.14294	1.6
239.17940	2.1
249.14766	1.9
255.17368	1.5
259.09656	5.5
260.10114	1.9
265.15866	2.6
267.17368	6.0
283.16922	6.9
284.17703	1.2
285.18466	10.2
295.20630	1.8
301.17947	19.0
302.18683	14.6
303.19553	15.5
313.21487	13.2
323.19968	2.3
331.22632	66.3
341.21136	5.2
342.47098	1.1
355.22693	1.1
359.22067	14.4
439.32065	7.5
457.33069	97.8
475.34012	10.2
487.57693	1.2
526.64075	1.2
558.16864	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	722.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.9
57.03423	21.4
63.52166	5.5
65.35332	4.5
67.05487	70.6
67.05740	4.0
69.07056	19.6
79.05477	100.0
81.03410	11.3
81.07034	65.6
83.04979	9.3
83.08651	5.0
83.65434	4.6
91.05461	62.7
93.07036	66.7
95.04955	8.3
95.08580	35.7
97.06536	8.5
97.10149	5.7
104.69788	4.3
105.07017	57.7
107.04952	27.5
107.08605	36.3
109.10164	10.2
117.07009	41.0
119.08588	29.3
121.10120	22.6
129.07022	19.1
131.08569	29.1
135.11700	22.3
137.59465	5.5
142.84967	5.2
145.06418	9.5
145.10136	44.7
147.08035	12.0
155.08553	6.5
163.11179	23.2
173.09601	11.8
213.74136	5.1
236.14909	5.9
259.06094	5.2
264.13763	6.3
265.14294	39.1
335.25766	53.5
396.87247	6.0
498.21707	4.9
525.35638	59.9
566.17419	5.8
614.65063	5.5
631.98279	6.0
635.41174	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	722.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.8
54.05866	1.4
55.05506	14.6
55.19303	1.3
57.03415	8.8
57.06808	2.2
57.07069	47.1
59.04981	3.5
61.02913	3.3
67.05492	100.0
69.07049	16.1
70.63203	1.4
71.04974	25.2
71.08613	36.0
74.53320	1.4
79.05462	10.8
81.07038	37.7
83.08593	14.4
85.02885	3.0
85.06547	2.1
85.10173	14.6
91.04944	1.3
91.05463	11.8
93.06996	12.2
95.04937	1.7
95.08589	34.5
97.10143	7.0
99.11691	2.0
107.08591	9.6
109.10144	83.9
111.08046	2.0
119.08549	9.9
123.11694	3.6
135.11639	7.4
137.09590	10.4
145.10114	1.8
173.11693	10.3
174.52435	1.6
198.59653	1.8
239.23691	3.0
243.15900	2.0
255.15733	3.2
287.18457	18.9
313.27347	19.8
315.51932	1.9
467.37277	80.3
469.85248	1.9
481.38403	2.1
493.38425	2.2
525.41406	91.5
538.92340	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01869	14.1
55.05508	21.3
57.03428	18.5
57.07038	1.6
67.05492	29.3
69.03408	6.3
69.07059	16.1
71.04967	2.4
72.79440	1.1
79.05476	35.3
81.03404	63.3
81.07043	35.8
83.01324	7.8
83.04966	21.1
83.08593	18.8
85.02885	4.8
85.06537	2.1
91.05464	29.0
93.07032	34.8
95.04955	22.7
95.08588	15.5
97.02882	5.5
97.06521	29.0
97.10141	10.1
99.04416	1.9
100.63431	1.3
105.07016	19.1
107.04931	16.1
107.08582	19.7
109.02866	5.1
109.06509	9.5
109.10127	9.7
111.04454	8.7
111.08064	8.0
117.03359	2.6
117.07013	8.9
119.04918	1.4
119.08564	18.6
119.94279	1.2
121.06491	8.3
121.10149	10.6
123.04453	2.1
123.08054	7.6
125.09618	5.4
127.03954	2.2
129.06993	13.4
131.08574	9.2
133.06491	2.9
133.10110	7.7
133.94742	1.4
135.04388	9.2
135.08017	2.9
135.11658	9.0
137.02333	74.0
137.03372	5.6
137.09608	2.6
142.07756	1.2
143.08540	5.8
145.02831	9.3
145.06497	2.5
145.10115	14.9
147.08026	8.1
147.11662	8.4
149.09613	5.7
151.35883	1.3
153.12764	2.9
155.04831	1.5
157.10109	6.6
159.11659	1.6
161.02332	2.0
161.05952	2.2
161.09589	2.1
161.13290	2.3
163.03880	54.3
163.11165	17.1
165.09067	1.9
173.02333	2.5
173.09525	2.1
175.11201	5.3
181.12260	2.5
184.07321	1.5
189.11163	1.8
191.10648	2.2
193.12219	13.2
209.11694	18.0
215.06975	9.2
227.12788	2.5
259.09628	35.8
265.36517	1.4
267.15884	23.9
273.14792	1.6
279.91855	1.3
281.17401	5.0
283.15366	19.9
289.14240	2.4
292.06140	1.4
355.22702	1.6
365.21112	5.0
383.22040	15.8
401.23080	5.6
408.87048	1.3
457.25708	26.6
461.29257	2.3
475.26791	100.0
485.55322	1.6
489.28543	6.9
493.27731	9.3
507.29196	2.9
557.16455	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	722.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34003	0.1
52.03430	0.1
53.00298	0.1
53.03925	0.4
55.01854	0.4
55.05502	5.0
57.03412	0.4
57.07066	15.7
59.04981	0.3
60.54318	0.1
60.62415	0.1
61.02894	0.1
65.03925	0.5
67.05508	0.1
69.03417	1.6
71.04977	0.2
73.02901	0.2
73.06543	1.1
79.05462	0.2
81.03397	1.3
81.07036	0.1
83.04966	0.1
84.92809	0.1
85.02889	3.6
87.00804	1.9
91.05442	0.3
93.03364	0.1
93.07023	0.3
95.08599	0.1
97.02875	1.8
97.06507	0.2
99.04426	0.8
105.01840	1.3
105.07011	0.1
107.08587	0.1
109.02867	1.3
109.10104	0.1
111.04376	0.1
117.01842	0.1
121.02017	0.1
121.02833	1.9
121.03717	0.1
121.10104	0.1
127.03894	1.7
129.06967	0.4
131.08542	0.6
137.02344	0.6
143.04886	0.2
145.04953	0.3
147.08032	0.1
149.02319	100.0
150.02609	0.7
157.06377	0.1
159.02837	0.5
161.05934	1.1
163.03856	0.1
167.03374	1.6
167.05544	0.1
175.07510	4.6
185.05927	0.2
190.04953	0.1
203.06990	4.1
204.07347	0.1
205.08565	4.3
215.06894	0.1
221.08046	0.7
223.09673	0.3
228.10179	0.1
231.04938	0.3
259.09641	0.1
277.14291	22.3
278.14587	0.3
283.15396	0.1
295.15323	1.9
337.69058	0.1
425.43161	0.1
722.41150	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	721.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55861	3.4
52.13071	3.3
53.03934	4.3
54.64058	4.5
55.05505	29.7
55.93494	3.2
57.03420	19.1
57.07068	8.9
57.89294	3.1
58.06606	4.0
67.05494	80.2
69.07050	21.3
71.04961	5.3
71.08601	8.5
76.56956	4.2
79.05475	100.0
81.03406	6.3
81.07040	87.3
82.28731	3.7
83.04964	9.0
83.08615	6.6
83.49120	3.1
85.59797	3.3
88.18312	3.5
91.05457	65.2
92.01828	3.7
92.08640	8.6
93.07032	89.4
95.04944	21.1
95.08585	52.7
97.06483	6.4
98.98490	4.0
105.07016	46.4
107.08573	20.8
109.10143	15.7
116.17691	3.5
117.06977	6.5
119.08582	26.4
121.10101	18.5
129.06973	19.5
131.08598	7.1
133.10095	14.7
135.11708	5.3
143.08507	5.9
145.10124	8.7
147.11740	29.4
157.13828	3.4
161.13240	5.9
171.11644	20.0
194.18016	3.5
197.78903	3.9
207.13667	5.4
281.17358	42.5
335.25720	32.5
467.36807	5.0
541.38739	75.5
577.62183	3.8
587.46252	4.0
636.44403	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	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
55.05505	61.9
67.05493	45.6
69.03418	12.8
69.07067	12.7
73.02907	6.6
79.05464	44.2
81.03413	26.6
81.07035	54.3
81.34769	5.1
83.04945	7.0
83.08607	26.4
85.02882	6.2
91.05492	44.6
92.61589	5.3
93.07025	61.0
95.04978	8.2
95.08599	25.0
97.10149	42.3
105.07018	45.5
107.08596	37.5
109.06540	9.2
109.10143	9.3
117.07002	25.6
119.08557	43.1
121.10153	11.9
125.09598	24.1
126.78742	6.0
128.06233	6.2
129.06958	24.8
131.08554	24.3
133.10115	24.5
143.08556	20.1
145.10124	29.5
147.11687	11.8
155.08569	6.5
157.10197	9.3
159.11691	6.1
167.08543	8.8
171.11691	11.8
173.13159	9.4
183.11700	12.2
211.65790	6.5
215.30635	5.5
218.94138	5.2
227.12633	5.6
240.18085	5.4
259.20651	6.8
269.10663	5.3
283.15573	6.2
297.21951	7.1
315.23212	7.9
408.15686	5.6
449.30420	7.1
523.33838	10.8
541.35162	100.0
559.36121	50.5
638.48822	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	721.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52211	1.3
54.94280	1.5
57.03434	1.9
57.07071	2.9
61.02915	2.4
66.73731	1.3
67.05500	6.5
68.93733	1.4
69.07083	1.4
69.66497	1.4
70.75824	1.3
73.02898	3.0
79.05489	3.3
79.34923	1.3
81.07034	2.8
85.02905	5.4
91.03940	3.6
91.05476	2.9
92.08514	1.7
93.07045	2.4
95.05013	2.1
95.08582	1.6
96.94542	1.4
97.02883	2.6
107.71818	1.6
109.10196	1.9
127.03896	1.4
171.11569	1.9
175.32416	1.7
179.43298	1.6
243.08360	1.7
414.96927	1.7
465.20840	13.2
497.30508	2.5
721.44855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.8
54.45178	1.8
55.01864	8.0
55.05497	11.8
56.96564	2.3
57.03424	5.1
61.02902	2.8
67.05499	20.4
68.99766	3.1
69.03419	39.1
69.07065	17.4
71.04957	4.1
73.02893	10.6
79.05469	13.7
81.03400	42.7
81.07038	35.6
83.04986	2.6
83.08588	8.6
85.02890	49.9
87.00813	24.9
91.05468	15.1
92.09350	4.2
93.07021	32.5
95.04953	4.0
95.08588	49.8
97.02874	19.5
97.06524	11.3
97.10188	2.3
99.04438	12.8
105.01852	13.9
105.07014	19.8
107.08569	37.9
109.02852	32.6
109.06502	2.9
109.10152	41.7
111.08067	12.2
117.01746	2.1
117.07026	4.0
119.08562	33.2
121.06482	3.9
121.10120	36.0
123.11691	19.6
123.47706	2.2
127.03902	37.8
129.01801	3.7
129.06989	3.2
131.08531	12.5
133.10095	28.0
135.08055	10.2
135.11673	31.0
137.02275	9.9
137.09593	36.9
137.13235	11.5
143.08604	2.6
145.04919	3.6
145.10112	19.0
147.08083	2.8
147.11656	15.4
149.09633	12.3
149.13245	12.8
157.10112	4.8
159.02835	17.8
159.11676	12.6
161.09595	2.5
161.13246	11.2
163.03935	3.2
163.11226	4.2
163.14793	8.8
164.89011	1.9
165.09055	17.9
166.38992	2.0
171.11674	9.5
173.13168	17.8
175.11122	2.9
175.14806	4.9
177.12682	2.8
185.13190	9.3
187.11180	2.4
187.14822	10.2
189.12666	2.7
189.16388	3.3
191.17972	5.1
194.12437	2.3
197.13191	3.5
201.12704	8.3
201.16370	3.6
205.19579	2.6
213.12790	5.1
213.16362	3.6
215.14293	4.9
229.15804	2.8
231.05048	2.7
231.13800	4.4
233.15465	2.5
243.17421	1.9
245.97458	2.1
255.20999	2.5
259.16922	2.8
269.22583	2.5
341.24643	2.0
343.82501	2.2
419.33063	16.5
437.34070	100.0
455.35178	69.3
622.13385	2.4
703.40332	33.5
721.41583	44.6
744.38647	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.8
54.45178	1.8
55.01864	8.0
55.05497	11.8
56.96564	2.3
57.03424	5.1
61.02902	2.8
67.05499	20.4
68.99766	3.1
69.03419	39.1
69.07065	17.4
71.04957	4.1
73.02893	10.6
79.05469	13.7
81.03400	42.7
81.07038	35.6
83.04986	2.6
83.08588	8.6
85.02890	49.9
87.00813	24.9
91.05468	15.1
92.09350	4.2
93.07021	32.5
95.04953	4.0
95.08588	49.8
97.02874	19.5
97.06524	11.3
97.10188	2.3
99.04438	12.8
105.01852	13.9
105.07014	19.8
107.08569	37.9
109.02852	32.6
109.06502	2.9
109.10152	41.7
111.08067	12.2
117.01746	2.1
117.07026	4.0
119.08562	33.2
121.06482	3.9
121.10120	36.0
123.11691	19.6
123.47706	2.2
127.03902	37.8
129.01801	3.7
129.06989	3.2
131.08531	12.5
133.10095	28.0
135.08055	10.2
135.11673	31.0
137.02275	9.9
137.09593	36.9
137.13235	11.5
143.08604	2.6
145.04919	3.6
145.10112	19.0
147.08083	2.8
147.11656	15.4
149.09633	12.3
149.13245	12.8
157.10112	4.8
159.02835	17.8
159.11676	12.6
161.09595	2.5
161.13246	11.2
163.03935	3.2
163.11226	4.2
163.14793	8.8
164.89011	1.9
165.09055	17.9
166.38992	2.0
171.11674	9.5
173.13168	17.8
175.11122	2.9
175.14806	4.9
177.12682	2.8
185.13190	9.3
187.11180	2.4
187.14822	10.2
189.12666	2.7
189.16388	3.3
191.17972	5.1
194.12437	2.3
197.13191	3.5
201.12704	8.3
201.16370	3.6
205.19579	2.6
213.12790	5.1
213.16362	3.6
215.14293	4.9
229.15804	2.8
231.05048	2.7
231.13800	4.4
233.15465	2.5
243.17421	1.9
245.97458	2.1
255.20999	2.5
259.16922	2.8
269.22583	2.5
341.24643	2.0
343.82501	2.2
419.33063	16.5
437.34070	100.0
455.35178	69.3
622.13385	2.4
703.40332	33.5
721.41583	44.6
744.38647	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	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.8
53.03943	1.5
55.01863	3.2
55.05262	1.3
55.05506	24.6
57.03170	1.4
57.03428	28.7
57.07067	44.9
57.80987	0.7
61.02914	8.1
67.05492	38.4
69.03412	5.9
69.07045	17.6
71.04974	5.9
71.08243	1.7
71.08614	38.1
71.09010	1.4
73.02905	1.1
79.05478	26.5
81.03397	61.4
81.07034	44.7
83.04965	20.7
83.08599	30.7
85.02890	32.9
85.06533	3.4
85.10172	17.3
91.03925	1.5
91.05456	31.9
93.07023	21.4
95.04948	26.9
95.08585	31.2
97.02869	6.3
97.06523	4.3
97.10140	9.4
105.07012	28.1
107.04948	7.9
107.08572	8.3
109.06488	6.1
109.10155	13.7
111.04440	1.9
111.08057	11.0
111.11848	0.9
113.05951	1.0
115.05373	1.1
117.06947	2.9
119.08559	22.2
121.06495	1.4
121.10122	10.3
123.08034	3.8
123.11691	7.0
129.06987	11.7
129.09178	0.9
131.08549	13.9
133.06462	3.7
133.10091	10.1
133.66573	0.8
134.10388	1.2
135.11736	1.2
137.13255	1.4
142.07771	3.4
145.10130	1.9
147.08031	3.5
147.11646	14.1
149.09578	7.9
157.10120	14.9
165.12721	1.1
175.11174	13.7
193.10468	2.1
193.12193	40.5
211.13261	45.5
239.23558	1.2
257.24710	1.8
267.15823	11.9
285.16898	58.8
313.27295	74.1
454.33704	0.9
463.29529	1.0
505.38690	16.1
523.39862	100.0
524.39886	1.3
746.44678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
54.04385	2.4
55.01865	3.6
55.05502	17.7
57.03442	3.2
57.07056	3.7
58.67108	2.5
61.02933	3.8
63.67441	2.4
67.05501	32.7
69.03422	22.4
69.07066	33.8
71.04989	4.7
71.08585	2.4
79.05489	22.6
81.03413	23.1
81.07049	56.1
83.04971	4.5
83.08617	5.3
85.02895	40.9
85.06506	3.7
87.00819	21.2
91.05460	31.9
93.07027	58.9
95.04954	3.8
95.08592	69.3
97.02879	18.8
97.06512	14.0
99.04433	4.6
105.01865	5.3
105.07023	89.5
107.08583	66.6
109.02899	12.4
109.06522	19.8
109.10145	47.9
111.08062	11.1
115.19776	2.7
117.07018	6.6
119.08566	96.4
121.06463	4.3
121.10134	59.7
123.08051	16.1
123.11692	11.2
125.09637	3.5
127.03914	23.5
127.68790	3.5
128.06252	2.6
129.07051	3.9
131.08543	38.1
131.66173	2.7
133.10120	79.5
135.07996	4.8
135.11685	25.4
137.09630	11.7
137.13251	3.5
139.11201	22.2
143.08559	18.4
143.09575	3.2
145.04997	3.6
145.10124	74.4
147.11659	51.2
149.09593	5.7
149.13243	21.5
151.11168	19.6
157.10083	32.8
159.02924	5.9
159.11673	100.0
161.09619	3.7
161.13223	69.8
163.11191	3.6
163.14778	5.9
165.12692	5.3
165.16385	3.1
169.10129	14.6
170.10896	3.6
171.11627	33.8
173.09618	2.8
173.13219	36.9
175.11189	7.0
175.14790	38.1
177.16376	3.1
183.11658	17.2
185.13206	32.6
187.14822	26.8
189.16400	25.6
193.15881	22.7
197.13193	11.9
199.14815	27.5
201.16386	68.2
203.14288	5.0
211.14810	5.5
213.16463	40.8
215.18008	6.9
225.16359	13.9
226.11058	2.7
227.17934	5.1
231.17473	23.4
239.17836	3.1
241.19514	43.2
243.17401	18.9
249.18486	17.1
261.18597	4.2
268.83847	2.9
269.22552	5.0
281.22552	13.3
288.95251	2.8
379.29910	84.5
397.31049	18.9
407.32977	50.6
419.33167	50.2
425.33875	12.5
436.41565	2.9
437.34076	65.2
455.35199	29.0
473.36044	6.3
556.58197	3.1
635.07489	3.0
670.99719	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	720.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81651	0.8
57.07059	1.2
58.06560	0.7
60.08157	9.6
62.18415	0.6
68.81011	0.7
71.07348	3.4
73.17142	0.8
79.05470	1.3
79.77116	0.7
81.06994	0.9
86.09696	44.0
91.05414	1.2
98.98436	1.9
104.10735	3.3
105.07023	1.2
123.11886	1.0
124.99980	35.1
151.18214	0.7
154.52011	0.7
184.07318	100.0
386.32626	0.8
506.01886	0.9
720.44678	7.6
731.58612	0.9
743.77148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02572	2.2
55.01854	3.2
55.05504	16.4
57.03417	16.6
57.07074	35.3
67.05499	27.5
69.07048	11.4
71.04973	4.4
71.08596	22.3
79.05470	14.8
81.03402	49.2
81.07048	30.5
83.04984	6.4
83.08605	21.8
83.82910	2.7
85.02907	21.8
85.10166	11.5
87.44199	3.1
90.18729	2.6
91.05472	18.6
92.09362	5.5
93.07016	12.5
95.04946	15.7
95.08589	24.4
97.10158	11.9
105.07021	15.6
107.08574	5.7
109.06499	2.9
109.10149	6.8
111.08047	6.6
119.08587	10.8
121.10104	4.0
123.11668	3.2
129.07001	4.9
131.08553	5.6
147.11603	9.5
157.10136	5.0
175.11157	11.2
193.12184	32.4
211.13287	28.4
267.15985	6.2
271.27060	3.1
283.15131	3.5
285.16913	26.9
313.27328	50.2
317.84485	3.5
505.38748	5.3
523.39838	100.0
677.09106	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
54.29866	5.3
54.60745	5.6
55.05500	32.1
57.03430	12.2
61.02930	52.0
66.18808	5.0
67.05497	94.6
69.03425	5.8
69.07058	23.7
73.02882	14.5
79.05474	77.4
81.03400	7.6
81.07044	88.3
82.83543	5.8
83.04953	10.5
83.08601	13.0
85.02888	41.8
87.33553	5.3
91.03938	35.3
91.05476	100.0
92.09396	11.8
93.07029	96.3
95.04955	12.2
95.08591	68.7
97.02885	28.1
97.06519	12.5
98.89503	5.9
105.07011	87.8
107.04921	7.3
107.08574	49.3
109.06554	8.9
109.10149	24.4
117.07039	34.2
119.08572	61.4
121.10128	47.3
127.94511	6.4
129.05432	6.6
129.07005	13.5
131.08517	42.7
133.10121	65.5
135.11693	30.3
135.66782	6.8
143.08549	26.6
145.04921	10.5
145.10141	26.4
147.11693	40.4
149.09636	9.4
149.13248	12.5
157.10144	13.3
159.11682	12.0
161.13245	14.4
163.05994	12.6
163.14755	12.3
171.11555	21.3
175.14784	23.9
185.13261	24.8
187.14781	8.9
189.16376	11.2
191.17929	6.8
201.16551	6.1
203.18001	14.1
259.20438	10.6
269.22650	38.9
287.23676	67.9
335.25693	7.3
378.83124	6.0
379.28235	50.5
412.04950	7.1
526.69391	6.6
634.16656	7.2
708.25580	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00087	2.0
53.00297	2.8
53.03936	4.2
54.55613	2.5
55.05510	24.6
57.03419	10.6
57.07067	14.9
57.71502	2.2
61.02919	61.6
62.39569	2.2
64.33456	2.8
67.05495	77.5
69.03428	3.8
69.07056	27.2
71.04963	3.5
72.62994	2.2
73.02906	15.8
79.05478	64.2
81.03426	5.5
81.07037	69.9
83.04949	3.2
83.08608	6.3
85.02885	58.3
85.06535	10.3
90.63907	2.4
91.03940	44.7
91.05467	100.0
91.06058	3.5
93.07024	77.9
95.04971	3.5
95.08596	59.8
96.24230	2.4
97.02892	25.8
97.06509	11.2
97.10165	5.0
99.04429	3.8
105.07015	76.6
107.04979	3.1
107.08584	30.9
109.06532	2.6
109.10143	15.5
111.42505	2.5
115.05468	3.6
117.07000	37.1
118.60094	2.6
119.08559	65.5
121.10130	45.0
123.11736	5.3
127.03917	12.0
128.06244	6.2
129.06978	26.3
131.08546	47.4
133.10115	52.6
135.08046	19.6
135.11678	12.8
137.09633	2.9
137.13295	3.7
142.07733	2.6
143.08551	33.2
145.04967	17.4
145.10123	31.2
147.08064	4.1
147.11670	21.8
149.09619	14.9
149.13232	3.3
157.10092	29.6
159.11665	16.6
161.09657	13.7
161.13263	15.5
163.05983	23.8
163.11157	5.4
163.14792	3.7
171.11662	31.9
173.13208	3.4
175.11189	4.9
175.14790	22.9
177.16447	5.2
185.13228	21.1
187.14807	9.1
189.12733	9.5
189.16354	14.4
199.14810	14.0
201.16394	4.4
203.17906	26.8
213.16342	5.4
215.17984	4.0
243.20959	3.4
245.22655	13.0
258.79788	3.0
259.20404	5.4
259.24121	11.2
260.83633	2.5
269.22617	56.0
287.23645	87.1
305.24878	2.8
361.27127	5.9
379.28351	60.5
392.72623	3.1
443.12851	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	720.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
53.84064	0.9
55.01860	1.6
55.05508	11.7
57.03423	10.9
60.91162	1.1
67.05495	28.7
67.54092	1.0
69.03439	1.0
69.07055	7.4
73.02891	1.1
75.26526	1.0
75.89149	1.0
76.55977	1.2
79.05474	34.0
81.03398	57.5
81.07032	24.3
83.04957	9.3
83.08605	12.3
91.05466	33.2
92.08726	1.4
93.07020	36.2
95.04947	22.8
95.08591	12.8
97.02846	1.5
97.06508	2.6
97.10165	1.8
105.07010	27.1
107.04944	8.2
107.08575	9.3
108.12353	1.1
109.06461	4.1
109.10133	4.5
111.04398	1.4
111.08063	2.9
113.05975	1.2
114.06522	1.2
117.06983	4.9
119.08543	20.0
120.09837	1.3
121.06464	4.2
121.10143	2.6
123.08064	4.8
123.11726	1.6
129.06975	12.8
131.08578	6.1
133.06493	1.5
133.10095	9.5
135.11678	1.5
143.08574	2.7
145.10098	5.7
147.11671	17.9
149.09569	2.1
157.10095	6.4
161.13243	4.8
168.43855	1.2
171.11691	10.3
175.11148	5.2
189.12708	2.8
193.12219	13.3
207.13779	5.7
224.61238	1.3
267.15842	35.8
281.17401	23.2
473.28915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.8
53.00291	1.7
53.03939	7.4
55.01855	4.0
55.05506	32.0
57.03212	0.8
57.03430	12.8
57.07052	3.5
60.57181	0.7
61.02897	1.7
65.03915	3.5
67.05492	68.3
68.58687	0.7
68.92393	0.7
69.03419	1.9
69.07054	19.5
71.04954	4.6
71.08627	0.8
73.02891	0.7
73.06520	1.7
77.03917	0.9
79.05475	94.7
80.05786	0.7
81.03401	13.0
81.07037	66.2
83.04964	12.4
83.08610	10.5
85.02888	4.8
85.06511	3.5
91.05461	100.0
93.07025	85.2
93.79975	0.8
95.04946	28.6
95.08003	1.7
95.08580	37.5
97.02879	1.9
97.06508	5.7
97.10142	4.3
103.05432	3.6
105.04528	1.5
105.07014	90.5
107.04927	8.7
107.08582	33.3
109.06487	8.0
109.10155	10.6
111.08031	1.2
111.47136	0.8
115.05431	3.1
117.07000	25.9
119.08560	63.2
121.06492	1.3
121.10125	17.2
123.08035	4.8
123.11755	1.0
125.09583	1.4
128.06186	5.6
129.05472	1.2
129.06976	26.1
130.07820	1.2
131.08549	26.6
133.10104	41.3
135.08022	1.9
135.11685	14.1
137.05962	4.2
137.09608	1.7
141.06940	4.4
142.07744	3.0
143.08551	22.6
145.06436	1.1
145.10104	26.1
146.31889	0.8
147.08037	3.9
147.11670	43.7
149.09576	1.5
149.13226	8.4
153.06953	0.9
155.08488	4.5
157.10115	11.7
159.11652	14.8
161.09552	4.3
161.13222	20.4
163.11104	0.9
163.14862	0.9
167.08508	1.3
169.10054	6.7
171.11652	25.9
173.13205	10.7
175.11079	1.1
175.14795	9.6
177.12758	1.1
181.10170	2.9
183.11687	4.1
185.13190	9.6
187.14816	3.2
189.12689	6.6
193.10098	1.0
195.11693	3.9
197.13196	4.8
199.14796	6.2
207.13818	9.7
209.13210	3.4
211.14751	1.2
213.16379	1.9
219.17342	1.0
231.21005	4.3
241.19452	16.8
259.20511	30.9
261.21994	1.3
279.15906	6.5
281.17389	35.1
282.13297	0.9
315.23126	4.4
321.22076	0.9
333.24197	20.9
335.25729	1.2
346.49396	0.9
411.63718	0.9
429.31467	1.7
437.33939	1.4
447.32401	5.0
465.33411	3.8
483.34818	3.0
521.35913	3.9
539.37305	40.9
541.38745	1.0
557.38159	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34047	2.4
54.82361	2.6
55.05491	4.2
57.05113	2.9
57.07069	48.0
60.34210	2.2
67.05502	3.0
71.08617	32.3
71.74221	2.4
73.06525	6.8
73.95756	2.7
79.05455	4.9
81.07063	2.9
85.10184	19.8
87.04451	12.2
89.06014	100.0
91.66406	2.8
95.08591	3.7
99.11695	3.2
107.08537	3.2
119.08522	3.4
133.08598	35.0
136.93724	2.8
158.28381	2.6
164.96486	2.8
177.11211	12.7
184.07292	6.0
184.63574	3.3
189.08707	3.2
568.27045	3.3
701.50403	9.7
718.52136	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	719.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39894	0.9
51.02376	0.8
53.00288	1.2
53.03935	6.0
53.59510	0.9
55.01856	6.4
55.05506	32.5
57.03426	13.1
57.07067	4.3
61.02914	4.0
65.03934	4.6
67.05492	70.1
69.03423	1.9
69.07053	19.7
71.04981	4.8
73.06530	1.9
77.03891	1.2
79.05474	89.4
81.03399	11.6
81.07037	65.2
83.04957	11.7
83.08601	8.9
85.02914	3.5
85.06525	2.3
85.44305	1.1
91.05459	100.0
91.08417	0.9
92.09396	2.0
93.07026	85.5
95.04947	24.0
95.05512	1.3
95.08588	41.1
97.02860	2.2
97.06524	4.7
97.10153	5.3
103.05472	4.5
105.04486	2.5
105.07010	95.7
107.04910	7.5
107.08578	30.1
109.06497	6.6
109.10136	12.0
111.08092	1.8
115.05439	1.5
117.06982	23.6
119.08563	64.6
121.06487	2.6
121.10121	18.7
123.08063	4.1
128.06210	5.0
129.06985	22.9
131.08546	21.6
131.71570	1.1
133.06526	1.3
133.10097	38.3
133.11018	2.0
135.08043	1.6
135.11661	11.8
137.09508	1.7
141.06987	4.6
142.07733	2.3
143.08553	20.3
145.06438	1.7
145.10100	27.5
147.08075	2.2
147.11665	47.5
149.09660	1.8
149.13274	6.4
155.08549	7.4
157.10091	12.6
159.11658	14.7
161.09636	1.4
161.13234	21.1
161.68422	1.1
163.11154	1.2
167.08546	4.4
169.10071	9.3
171.11644	25.8
173.13255	8.6
175.11382	1.1
175.14803	8.9
181.10117	5.8
183.11674	6.4
185.09648	1.1
185.13260	8.7
187.14839	1.8
189.12704	7.2
193.10130	1.1
193.77757	1.1
195.11697	5.0
197.13242	4.1
199.14856	5.5
207.11966	1.2
207.13808	6.9
209.13290	1.7
213.16371	2.1
221.13228	1.6
223.14812	1.3
225.16449	1.5
231.21021	2.1
237.16394	1.1
241.14268	1.3
241.19482	15.8
257.18948	2.5
259.20493	34.0
279.15759	7.3
281.17395	30.5
315.23093	5.3
333.24258	22.8
335.23438	1.4
349.25143	1.2
423.08450	1.2
426.20004	1.1
447.32465	6.4
450.15030	1.1
465.33496	2.1
483.34863	3.7
521.35754	1.6
522.34625	1.2
529.38177	1.5
539.37262	47.9
557.38269	15.7
619.01660	1.3
719.40137	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.9
55.01853	3.1
55.05497	14.7
57.03422	14.1
57.07072	39.3
61.02910	2.1
62.76609	1.1
67.05489	22.2
69.03420	2.3
69.07057	15.0
71.04991	1.9
71.08241	2.2
71.08620	30.5
71.76422	1.4
79.05480	21.8
81.03403	1.5
81.07037	26.9
82.93811	1.3
83.04952	2.6
83.08598	16.4
85.02866	1.7
85.10159	17.5
89.06018	11.8
89.81711	1.2
90.06311	1.6
90.79311	1.3
91.05438	3.3
93.07027	37.3
95.04941	8.8
95.08585	54.8
97.02863	2.0
97.06496	3.0
97.10152	3.5
99.04441	5.5
105.07021	6.3
107.04938	9.6
107.08576	34.7
109.10133	10.2
111.08073	2.2
113.33591	1.4
117.07001	7.9
119.08574	8.4
121.06487	6.1
121.10114	17.5
123.11687	2.1
125.05989	3.0
130.07782	2.6
133.08598	1.5
133.10123	2.6
135.11679	53.4
135.72803	1.8
139.07526	1.8
145.10103	30.7
160.04388	1.4
163.11157	76.5
168.94765	1.4
178.64983	1.4
181.12230	10.8
185.72264	1.9
227.10513	1.4
227.12744	65.7
283.15369	74.4
313.27338	96.8
437.09290	1.8
496.01868	1.6
521.38306	100.0
667.49701	1.8
707.64771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
53.03937	1.1
53.71463	0.6
54.02328	0.6
55.01868	8.4
55.05265	1.2
55.05505	23.1
57.03429	25.6
57.07066	46.6
59.04980	4.1
59.51289	0.7
61.02914	12.1
63.09401	0.7
67.05490	23.7
69.03409	1.6
69.07050	12.4
71.01321	0.9
71.04973	4.3
71.08239	1.5
71.08614	28.9
71.34099	0.7
73.02901	1.4
79.05043	1.5
79.05468	20.3
81.03402	11.8
81.07037	31.7
82.42903	0.7
83.01328	12.3
83.04967	12.5
83.08599	24.8
84.81731	0.8
85.02895	13.7
85.06501	1.0
85.10163	16.9
88.72923	0.7
89.06011	1.8
91.03905	3.1
91.05461	13.0
92.08640	2.2
93.07021	30.8
95.04958	6.9
95.07999	1.4
95.08585	28.0
97.02879	7.0
97.06508	3.9
97.10162	7.1
99.04427	3.1
104.39686	0.8
105.07014	9.1
107.04934	8.7
107.08577	16.8
109.06470	6.6
109.10139	10.5
111.04420	1.8
117.07003	7.8
119.08565	8.8
121.06503	4.4
121.10133	7.5
123.08037	9.7
123.11674	4.0
125.05904	1.3
125.09633	1.1
129.06947	1.0
130.07747	1.1
131.08521	1.8
133.10043	1.3
135.08040	1.8
135.11652	11.6
137.09592	1.5
145.10106	17.5
147.08009	3.2
153.12791	1.6
155.08499	1.1
163.11148	25.9
173.09575	4.0
181.12199	4.2
191.10657	2.8
209.11736	7.1
227.12694	0.9
239.23619	1.7
257.24649	1.9
283.15347	100.0
305.06815	1.0
313.27316	84.9
397.10101	1.0
397.55893	0.9
521.38245	57.7
631.41168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.5
55.05506	100.0
57.03433	11.5
57.07046	5.4
57.51346	4.8
59.18119	4.5
60.27821	5.3
67.05493	92.7
69.03413	11.9
69.07057	35.1
71.01395	5.2
71.65891	4.7
76.61024	5.5
79.05459	80.8
81.03383	6.2
81.07031	59.1
83.04958	9.6
83.08611	44.6
84.24433	5.2
85.06526	8.7
91.05442	63.1
93.07037	74.4
95.04960	10.1
95.08582	33.6
97.02888	7.1
97.10155	66.5
105.07015	73.7
107.04903	6.9
107.08584	46.8
109.10135	35.2
111.08094	7.0
117.07008	35.4
119.08536	42.8
121.10139	20.9
125.09602	61.1
129.06979	13.1
131.08563	12.1
133.10127	40.1
135.08005	8.2
135.11636	9.2
145.10104	23.9
147.11678	14.7
149.13303	6.1
157.10112	11.2
159.11725	6.7
161.13225	6.9
171.11589	8.4
173.11705	6.9
189.11177	35.4
218.40993	5.7
222.41319	5.8
227.12816	29.5
229.14294	11.2
241.19537	14.0
245.13895	55.1
259.20529	71.6
277.21832	8.1
333.24249	31.0
344.25644	6.6
423.27316	23.5
503.33371	33.9
521.34796	52.0
688.51294	7.3
701.13306	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	718.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59845	2.5
53.03931	4.5
55.01865	6.9
55.05507	27.2
55.37962	3.2
57.03429	5.9
57.07093	4.0
59.14498	2.8
60.37328	3.0
61.02919	69.8
65.78886	3.1
67.05495	91.1
69.03398	7.4
69.07042	27.1
73.02908	28.8
74.73425	3.4
79.05043	6.4
79.05477	89.9
81.03373	6.7
81.07041	83.7
81.73403	3.3
83.04993	4.1
83.08575	4.2
85.02896	76.8
85.06528	4.9
88.69920	4.1
91.03943	41.8
91.05466	100.0
91.06013	6.1
92.08704	7.6
93.07029	80.6
95.04949	6.9
95.08597	47.6
97.02875	32.8
97.06493	6.2
105.07021	84.3
107.04980	4.4
107.08560	33.1
109.06429	3.2
109.10159	34.2
111.08043	3.4
115.03938	4.0
115.05467	3.7
117.07004	65.1
119.08563	73.0
121.10123	32.5
123.11681	4.7
127.03887	6.9
128.06194	4.7
129.06981	45.7
131.08546	82.3
133.10110	53.4
135.08093	5.8
135.11676	22.8
141.06961	31.4
143.08559	34.4
145.04971	7.5
145.10092	70.2
147.08038	5.1
147.11671	30.6
149.02325	14.2
149.09637	20.8
149.13243	8.3
155.08598	20.9
156.09177	3.3
157.10110	28.4
159.11697	41.2
161.09526	5.7
161.13246	20.4
163.06017	20.2
163.11134	8.3
169.10155	17.9
171.11661	30.2
172.77708	3.6
173.13245	31.8
175.11214	5.2
175.14836	16.3
183.11702	20.5
184.07324	4.8
185.13246	22.2
187.14738	24.2
193.04958	12.4
197.13228	14.3
199.14815	13.6
201.12639	4.9
201.16382	35.5
203.14326	4.6
211.14809	6.5
215.14363	6.3
225.16342	7.5
229.16109	4.0
243.20943	7.0
257.18887	7.6
267.21014	58.3
285.22095	61.2
349.23676	3.6
377.26825	40.7
429.11844	17.0
650.90155	4.0
718.37921	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	718.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55857	3.5
55.05511	29.8
56.96712	3.9
57.03428	7.1
60.99458	3.9
61.02911	43.9
65.38757	3.9
67.05495	75.5
69.07045	21.2
71.04980	5.8
71.95171	4.3
73.02904	22.8
79.05475	80.2
81.03413	7.2
81.07042	75.1
83.08605	5.7
85.02906	40.4
91.03947	28.9
91.05464	100.0
93.07022	83.5
95.04956	5.7
95.08601	54.5
97.02876	19.0
97.06512	6.0
105.07010	71.3
107.08585	40.6
109.10144	31.8
117.07028	51.3
119.08561	64.3
121.10142	40.9
123.11695	6.5
127.03919	7.0
128.06146	7.2
129.06993	30.0
131.08546	64.4
133.10124	36.3
135.11682	23.8
141.07002	19.2
141.10104	4.4
143.08563	23.5
145.04977	8.3
145.10126	43.3
147.11691	31.8
149.09689	7.1
149.13263	9.7
155.08546	9.5
157.10139	21.3
159.11673	34.2
161.13213	20.7
163.05995	8.1
163.11208	6.3
169.10094	10.3
171.11650	9.9
173.13297	23.2
175.14856	11.1
183.11693	10.8
185.13237	8.9
187.14824	16.8
189.16310	5.1
197.13287	9.9
201.12711	7.0
201.16386	23.8
211.14839	8.0
225.16245	5.4
264.77158	4.7
267.20963	38.1
279.36414	4.9
285.21997	32.7
303.22903	5.1
307.04541	6.2
377.26871	21.7
503.33878	5.5
526.83368	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	718.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64074	0.5
54.82372	0.6
55.05499	0.9
57.03432	0.7
68.38566	0.5
69.03424	4.4
69.07053	0.7
73.64465	0.4
74.67632	0.5
79.05475	2.1
81.03400	1.2
81.07028	0.9
83.04933	0.7
85.02899	6.6
91.05463	5.0
93.07027	1.3
94.04165	2.1
95.04942	1.0
95.87068	0.5
97.02898	1.1
99.04439	0.6
103.05437	0.6
105.07015	2.4
107.04930	1.0
107.08567	1.1
109.06498	2.2
115.05427	0.9
117.07011	2.1
119.04919	4.0
121.06492	3.1
122.03633	5.9
123.08042	1.3
129.06978	3.2
131.04886	2.2
131.08546	0.7
133.06496	0.9
135.08078	1.1
137.05963	100.0
138.06250	1.3
139.82471	0.6
143.04901	0.9
145.06569	1.7
147.04405	3.2
149.05905	1.1
151.03957	2.1
151.07535	23.2
153.01799	0.7
157.06496	1.2
161.05962	13.6
161.07201	0.9
161.09575	2.1
163.03876	0.8
163.07469	3.7
165.06950	0.6
165.09116	0.7
169.06535	0.7
173.05942	3.6
174.06664	1.0
175.07523	7.2
177.09123	5.1
179.08559	0.9
181.06470	0.6
181.08522	0.6
187.07497	1.3
189.09096	7.6
191.08655	0.6
193.06329	0.7
195.08228	0.9
195.10132	10.7
199.07440	0.9
201.05435	1.1
205.06519	2.4
205.08411	0.5
207.08154	1.2
207.10168	1.3
209.06001	0.7
209.09698	0.7
211.07481	0.9
213.05414	0.8
213.09016	0.7
215.06984	1.0
219.07985	2.4
221.06003	2.3
222.06757	0.7
224.08395	1.0
225.09067	1.1
233.05942	0.9
234.06712	0.7
235.07523	2.0
237.09091	5.1
239.06979	0.8
239.10530	0.6
240.07726	0.7
241.08354	0.7
247.07491	0.7
249.09062	2.9
249.17752	0.6
250.06180	0.7
251.07007	1.0
251.10718	1.3
252.18016	0.7
253.08601	3.1
255.10150	0.6
261.09222	0.7
263.06781	0.7
265.08566	8.1
267.10117	2.7
271.09866	0.6
277.08615	4.8
277.11679	0.7
279.10123	2.1
281.08038	0.7
283.09729	4.3
283.12589	0.7
285.11230	5.3
287.12634	2.1
291.10010	0.7
293.11737	1.2
295.09683	1.1
295.13077	0.9
297.11215	11.8
309.11179	2.5
311.12692	8.2
313.14163	0.6
317.13809	1.3
323.12958	2.1
327.12195	0.9
337.14273	2.1
343.15427	3.9
349.16397	0.9
355.15198	4.3
373.16568	1.4
391.90982	0.5
403.15051	0.8
429.16983	0.6
459.18460	0.7
461.19574	7.7
479.20609	40.2
491.20657	10.1
509.21533	4.6
535.21198	0.8
557.10852	1.1
620.87225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95880	0.6
54.20936	0.6
55.01857	0.9
55.05494	3.6
55.71291	0.7
56.60065	0.6
57.03426	3.3
57.07061	0.8
61.02906	5.7
67.05489	8.2
68.06228	0.7
69.03414	3.3
69.07053	4.1
73.02902	3.9
77.40851	0.8
79.05482	7.8
81.03415	1.1
81.07037	6.1
83.04949	0.8
83.08623	1.0
85.02889	6.8
91.03915	1.9
91.05460	2.1
93.07027	9.0
94.49609	0.8
95.08585	4.5
97.02868	6.0
97.10172	1.1
105.07013	1.4
107.08586	4.0
111.08083	1.3
117.07038	1.2
119.08562	1.0
121.10188	1.4
123.27978	0.8
127.03831	0.9
131.62801	0.9
133.10103	1.4
135.11670	7.1
145.10149	1.1
150.40413	0.8
157.06549	0.8
185.04285	1.2
221.11514	1.6
233.13791	0.8
236.14883	1.4
243.08369	1.2
283.15500	1.5
372.65054	0.9
411.63800	0.9
439.19312	8.8
442.21359	1.0
519.29315	5.0
619.46680	1.2
717.41718	100.0
718.42017	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	717.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01856	23.2
55.05498	21.1
57.03427	9.2
60.95237	4.7
66.14890	4.7
67.05487	64.2
69.03411	12.0
69.07039	29.8
79.05472	70.7
81.03395	28.6
81.07044	79.6
83.04960	8.6
83.08602	9.0
91.05459	81.7
93.07024	59.2
95.04932	24.2
95.08589	32.5
97.02867	7.1
97.06506	26.0
105.07027	100.0
107.04942	24.0
107.08572	23.6
109.06453	6.2
109.10133	12.3
117.06977	38.5
119.08560	49.6
121.10113	7.4
123.08042	5.1
127.03904	6.4
128.06186	6.6
129.07011	7.5
131.08522	30.2
133.10121	41.3
135.11673	6.7
143.08521	10.8
145.06471	5.6
145.10164	9.9
147.07994	6.1
147.11693	9.8
149.09584	7.4
159.11635	7.3
171.11673	9.1
179.14223	7.7
190.26482	5.1
275.19968	43.7
289.59448	5.7
349.23569	27.9
425.21387	6.6
537.35364	5.6
537.45032	5.3
555.37097	35.5
635.39197	5.2
699.40619	9.9
717.44739	12.0
721.75513	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	716.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.0
54.81589	2.4
54.81850	2.6
55.05503	4.2
55.44992	1.9
57.07070	45.5
58.06590	11.2
63.45369	2.2
63.55643	2.3
67.05491	2.5
69.07057	4.2
70.62529	1.9
71.08623	35.4
73.06539	12.2
75.93215	2.0
81.07037	4.9
83.08611	3.8
85.10181	15.4
85.52994	2.2
87.04470	11.1
89.06016	100.0
89.06528	4.5
95.08576	2.6
97.10168	2.6
107.07069	3.5
108.02845	2.2
117.09142	5.6
133.08597	29.8
134.49907	2.0
144.10207	3.7
147.11713	2.1
177.11229	11.3
187.09727	2.4
236.14906	39.0
285.27942	9.0
329.30505	3.9
414.17136	2.7
428.26691	2.9
456.36984	3.1
474.38193	4.0
503.30273	2.5
666.49170	31.7
676.21692	2.4
699.52246	3.6
716.53864	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	717.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66590	0.4
55.05504	2.6
57.03428	3.4
58.24132	0.4
58.61147	0.4
61.02919	6.1
64.01006	0.3
67.05498	6.3
69.03421	2.7
69.07059	2.5
70.82888	0.4
71.01366	0.6
71.04993	0.6
73.02898	4.7
79.05476	5.6
81.03398	2.6
81.07033	5.8
83.04982	0.8
83.08616	0.6
85.02895	6.2
91.03947	3.7
91.05472	2.9
92.09276	1.0
93.07038	6.6
93.72705	0.4
95.08593	4.2
97.02862	5.5
97.06520	0.7
97.10168	0.7
101.02370	2.3
105.07015	1.7
107.08588	3.8
109.02893	0.5
109.10191	1.9
109.11935	0.5
115.03918	0.5
117.07013	0.8
119.08591	1.1
121.10127	2.3
127.03925	1.7
131.08578	0.6
131.65012	0.4
133.10092	0.8
135.11662	3.7
145.10133	0.8
181.12215	0.6
185.04231	0.9
221.11458	1.1
236.14844	0.8
243.08449	3.1
275.16788	0.5
309.11273	0.5
335.25952	0.8
439.19348	5.5
519.29230	7.0
717.41718	100.0
718.42133	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	716.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
51.54871	1.5
60.44184	1.4
67.05489	7.5
70.22733	1.5
70.89478	1.6
71.91948	1.5
78.30981	1.5
79.05492	9.2
81.07040	2.8
87.04443	3.1
89.06010	26.5
91.05464	4.2
93.07042	2.1
93.80441	1.9
95.04958	2.7
95.08624	2.7
98.00310	1.7
103.05460	3.1
105.07016	100.0
119.08555	1.8
121.06480	8.2
121.10104	1.8
131.08574	3.7
133.08603	10.8
147.08011	15.2
149.09601	3.1
177.11183	2.9
225.12732	8.4
410.57764	1.7
425.62357	1.9
437.06409	1.7
487.25314	1.9
511.70612	1.9
587.45013	2.2
595.34747	6.5
648.52673	2.1
716.43774	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	716.494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82647	3.7
55.05501	8.9
57.03425	7.5
57.07074	28.4
58.36052	3.8
60.26902	3.5
65.03896	3.7
67.05482	25.2
68.68115	3.5
69.07058	9.7
71.08617	25.8
73.61852	3.7
75.96852	3.5
79.05475	45.4
80.18499	3.3
81.07038	28.5
83.04958	8.9
83.08596	7.1
85.10172	9.6
89.06026	4.8
91.05475	31.4
93.07011	45.1
95.04948	8.9
95.08574	26.7
105.07014	23.6
107.08608	7.1
119.08568	17.4
129.06960	4.2
133.10121	4.5
133.77733	3.7
147.11693	9.0
171.11707	8.3
207.13721	5.2
281.17392	31.1
313.27307	41.6
421.33328	3.9
476.95303	4.0
519.40381	100.0
520.39020	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	716.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58834	0.2
53.03926	0.3
55.01851	0.4
55.05482	0.4
56.05013	0.2
57.03429	5.3
57.07063	4.1
58.06592	29.8
59.07373	10.1
60.08153	8.8
60.89270	0.2
64.60201	0.3
67.05463	1.7
69.03391	0.3
69.07015	1.2
70.63834	0.3
71.08607	2.9
73.02887	0.6
74.88529	0.2
75.04465	2.4
79.05455	0.6
81.03401	4.2
81.07001	1.7
83.08578	1.0
84.08112	1.0
85.02892	2.0
85.10136	1.2
87.04456	4.1
91.05426	1.1
93.05483	0.4
93.07004	0.4
95.04966	1.9
95.08585	1.9
102.05509	0.6
103.03851	0.3
105.05466	0.6
105.06987	1.2
109.10070	0.6
113.05979	0.6
115.29509	0.3
116.10657	0.3
119.08522	0.7
121.10145	0.3
122.15443	0.3
130.08571	0.4
131.06990	1.6
131.08461	0.4
144.10185	16.9
149.09557	0.4
162.11247	5.3
193.12355	0.3
200.12756	1.2
205.52974	0.3
218.13857	1.2
236.14893	100.0
237.15210	0.7
240.58754	0.3
313.27338	0.6
323.18369	0.3
366.26541	1.0
369.29819	0.6
410.25308	5.8
412.37830	0.6
428.26367	7.9
434.29767	0.3
456.36755	11.7
474.30957	0.5
474.37860	20.9
666.49310	96.9
667.49323	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	716.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
51.54871	1.5
60.44184	1.4
67.05489	7.5
70.22733	1.5
70.89478	1.6
71.91948	1.5
78.30981	1.5
79.05492	9.2
81.07040	2.8
87.04443	3.1
89.06010	26.5
91.05464	4.2
93.07042	2.1
93.80441	1.9
95.04958	2.7
95.08624	2.7
98.00310	1.7
103.05460	3.1
105.07016	100.0
119.08555	1.8
121.06480	8.2
121.10104	1.8
131.08574	3.7
133.08603	10.8
147.08011	15.2
149.09601	3.1
177.11183	2.9
225.12732	8.4
410.57764	1.7
425.62357	1.9
437.06409	1.7
487.25314	1.9
511.70612	1.9
587.45013	2.2
595.34747	6.5
648.52673	2.1
716.43774	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	716.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
52.73415	0.8
53.03931	5.7
55.01866	15.1
55.05505	19.3
57.03429	37.3
59.04962	0.7
61.02910	9.3
61.10961	0.8
65.03917	1.5
67.05138	1.7
67.05493	44.3
69.03416	8.0
69.07054	11.0
71.04977	7.4
73.02882	1.5
74.09676	0.8
79.05475	61.9
81.03401	96.9
81.07040	44.0
81.07524	1.0
83.04505	1.6
83.04961	21.0
83.05423	1.0
83.08607	19.8
83.70299	1.0
85.02889	100.0
85.06538	1.7
91.03921	1.4
91.05462	79.8
93.07026	41.6
95.04948	35.4
95.08584	21.4
97.02863	10.3
97.06509	14.6
97.10134	3.4
99.04447	2.0
99.10672	0.9
101.05983	1.4
103.03911	1.3
103.05452	6.3
105.03385	1.2
105.04527	1.6
105.07014	75.3
107.04943	38.1
107.05549	1.0
107.08589	17.5
109.06496	14.2
109.10133	5.4
111.04426	9.3
111.08067	7.9
113.05952	3.7
113.64787	0.8
115.05437	16.0
117.06985	18.5
118.51325	0.7
119.04955	4.6
119.08566	25.2
121.06503	13.2
121.10113	19.2
123.08038	11.3
123.11682	2.0
125.09669	1.1
127.03895	1.1
128.06204	6.6
129.05434	4.0
129.06981	50.6
130.07802	1.1
130.79309	0.8
131.04884	5.6
131.08542	30.3
133.06471	47.6
133.10109	23.4
135.04379	3.6
135.08029	12.4
137.05977	5.4
137.09595	1.3
141.06978	5.7
142.07793	9.4
143.08551	14.9
145.02843	3.5
145.06459	3.1
145.10094	6.9
147.04391	1.7
147.08032	5.2
147.11661	21.4
147.12749	1.4
149.09616	13.6
151.07513	5.7
151.11194	1.1
153.06935	3.8
155.08542	14.2
156.09328	1.4
157.06461	4.0
157.10104	30.8
159.11610	1.1
161.02338	1.5
161.06033	1.1
161.09618	1.9
163.03893	15.7
165.07028	2.0
165.12758	3.7
166.07729	6.4
167.10620	1.2
169.10106	3.5
171.08057	4.3
171.11661	17.3
173.02245	3.2
173.09576	11.8
175.11165	13.9
176.11925	3.8
179.08571	1.7
181.10089	12.3
187.03847	1.5
187.11142	1.1
189.12709	6.3
191.10535	1.3
193.12213	34.9
199.03900	1.8
199.11133	18.8
211.13258	33.3
213.05475	4.8
217.12204	22.2
225.05455	1.9
227.06966	1.2
235.13281	5.0
267.15894	27.1
285.16907	50.9
291.15866	15.7
309.16928	22.1
331.15341	1.3
337.14319	10.6
355.15268	18.6
373.16473	8.9
373.20657	1.3
373.47116	1.0
391.22556	1.2
409.23853	2.1
442.69431	1.0
483.27353	12.4
501.28394	21.6
519.29437	52.4
520.29309	1.2
535.21838	1.9
545.11670	1.0
575.66235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79638	1.5
55.01848	1.4
57.85881	1.1
67.05502	2.5
71.05001	1.2
76.97917	1.3
79.05482	5.3
80.04978	1.3
81.03397	2.2
81.07017	4.5
85.02892	3.1
91.05509	2.0
93.07037	2.0
105.07056	2.3
107.04978	3.0
107.08582	1.2
121.10137	1.9
124.07569	14.5
131.08565	1.7
133.06564	1.6
177.79420	1.4
185.04176	1.9
201.03781	1.6
203.05333	1.8
253.51961	1.4
319.09964	1.6
325.31409	1.5
331.10141	1.8
347.09433	2.9
363.09146	2.9
365.10580	2.9
421.13358	2.1
483.21942	2.0
493.15466	2.3
517.28174	1.7
553.29730	15.5
559.25507	1.7
715.35077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01855	5.3
55.05510	17.3
57.03409	1.6
57.99136	1.2
67.05491	18.6
69.03402	10.2
69.07055	9.5
71.01345	2.0
71.04988	2.2
79.05481	16.3
81.03397	17.1
81.07043	12.1
83.04957	7.3
83.08601	5.8
85.02888	6.0
86.72654	1.4
91.05469	14.7
93.07019	10.2
95.04951	5.6
95.08624	9.7
97.02868	15.6
97.06526	5.5
97.10178	1.7
99.04438	1.7
101.06077	1.5
105.07007	8.8
105.12494	1.5
107.04955	2.4
107.08585	2.7
109.02888	3.3
109.10124	4.9
111.04415	25.9
115.05470	3.4
117.06973	2.7
119.08566	3.3
121.10159	1.8
123.04411	2.3
123.08053	1.8
127.03850	2.6
129.06984	6.7
131.04919	1.9
131.08554	2.8
133.10112	8.4
135.04399	2.5
137.02272	1.5
137.05922	13.0
139.05473	2.3
141.06973	3.1
145.06512	2.5
145.10152	1.8
145.27730	1.5
147.04431	5.7
147.08109	1.8
153.06915	6.9
155.04967	1.8
157.06445	6.8
157.10129	2.5
161.05965	13.5
163.03885	27.9
163.07603	1.6
163.11049	1.9
165.06955	2.9
167.04883	3.4
167.08546	2.6
169.06479	2.8
171.04405	2.3
173.04469	2.9
173.05952	75.7
173.09532	1.4
174.03104	1.4
175.03870	7.8
175.07547	5.7
175.11116	1.4
177.05406	2.3
181.06438	12.5
183.08032	3.0
185.05923	11.1
187.03825	2.0
187.07501	26.0
189.05449	10.1
191.10666	2.0
193.06548	1.8
195.04370	1.9
195.08052	6.5
197.05931	20.8
199.03860	5.7
199.07503	21.6
200.04718	3.0
201.05444	46.6
203.06989	2.8
207.08083	2.6
209.06041	2.4
210.06772	1.9
211.07504	13.7
213.05453	49.3
213.07266	2.7
213.08879	12.4
215.07002	22.1
217.04939	45.4
222.06677	1.9
223.07611	1.6
224.92343	1.6
225.05496	21.2
225.09090	8.3
226.06238	6.6
227.06984	36.7
227.10515	2.5
229.04886	26.1
229.08524	2.7
235.07541	5.4
236.29907	1.6
237.09129	2.3
239.06981	8.7
241.08540	3.0
243.06543	10.0
248.89716	1.4
249.12709	8.5
251.06963	2.2
253.08495	6.2
253.12222	1.4
255.64264	1.4
263.14050	2.0
265.12189	1.9
267.13763	13.0
271.22678	2.6
277.11807	1.8
281.15320	5.6
283.13333	1.7
291.13751	9.6
293.11707	3.2
295.13214	6.1
309.14767	15.2
311.12805	13.9
313.14337	18.1
319.12888	2.4
327.15747	14.6
329.13766	51.2
337.14279	37.5
355.15335	100.0
373.16406	75.0
517.20447	8.3
535.21600	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	714.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
55.01870	1.3
55.05507	11.3
55.91534	0.9
57.03426	13.2
57.07069	7.9
57.07310	0.9
58.06590	43.6
59.05001	1.3
59.07177	0.8
59.07372	13.1
60.08156	10.6
60.12345	0.9
61.02922	1.2
67.05492	29.3
69.07051	11.8
69.73263	1.0
71.01373	1.2
71.04990	1.0
71.08623	5.0
75.04465	2.4
79.05484	16.1
81.07034	24.5
83.04961	4.7
83.08629	4.9
85.02874	4.8
85.06544	1.9
87.04458	3.9
88.81407	1.2
91.05458	12.0
93.07025	17.6
95.04979	1.4
95.08587	14.8
97.06530	2.7
97.10159	4.3
105.07022	4.1
107.08570	11.9
109.10153	8.5
117.07037	1.6
119.08584	4.3
121.10147	2.1
123.11700	2.1
131.07088	1.8
133.10118	2.1
135.11662	11.5
143.84134	1.0
144.10196	15.6
145.10124	2.5
162.11278	6.2
163.11153	1.1
181.12253	2.1
218.14012	1.0
236.14888	100.0
239.51074	1.2
255.15923	11.4
337.27277	14.1
412.37979	1.4
444.26004	1.2
456.36749	7.5
458.27368	2.3
474.37704	15.5
476.28644	1.7
517.38855	30.6
518.39691	1.7
641.00043	1.4
682.48792	4.1
714.51483	84.0
715.51959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
50.52160	0.4
53.00294	0.4
53.03936	0.5
55.01858	0.3
55.05505	8.2
56.05033	4.7
57.07069	4.4
58.06591	0.7
60.04519	2.5
64.61214	0.3
65.03924	0.5
67.04221	0.4
67.05138	0.7
67.05493	15.8
68.05009	1.9
68.74213	0.3
69.03413	0.8
69.07056	9.7
70.06571	2.6
71.08606	2.6
79.05476	13.8
80.04993	4.8
81.03384	0.7
81.05788	2.6
81.07040	14.2
82.06562	9.1
83.08596	5.6
84.08095	0.6
85.02877	2.4
85.10139	0.5
85.26789	0.3
85.70217	0.4
89.36891	0.4
91.05457	11.3
93.05761	0.5
93.07022	13.2
94.06546	25.8
95.04939	1.8
95.07328	12.6
95.08584	10.3
96.08109	8.3
97.02848	1.6
97.06511	0.5
97.10164	3.6
105.04485	0.5
105.07013	7.6
107.08575	5.4
108.08086	4.2
109.02881	0.3
109.10136	3.9
111.11706	0.4
119.08562	6.3
120.08038	0.5
121.10120	6.4
122.09679	3.6
122.99736	0.4
123.11687	0.8
133.10123	4.3
135.10516	0.6
135.11670	3.8
136.11197	0.5
137.13222	0.5
147.11658	0.7
149.13272	0.6
151.14836	0.3
161.13303	0.5
167.60457	0.4
191.17891	0.5
233.22650	2.4
234.22169	1.6
245.22609	3.9
250.25250	9.2
260.23566	0.6
262.25238	100.0
263.25510	2.4
272.25769	3.0
280.26324	6.9
443.60342	0.4
504.47647	4.1
516.47681	26.5
517.47925	0.5
518.49188	4.1
533.19672	0.4
534.48737	19.1
618.04413	0.4
619.75208	0.4
696.53851	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.05507	27.4
56.98223	2.0
57.03438	17.0
57.07061	4.5
61.02901	2.7
65.03929	2.6
67.05492	61.1
69.07067	22.1
71.04972	3.5
79.05477	48.2
81.03455	2.8
81.07044	100.0
83.04957	2.8
83.08608	11.3
85.02905	3.4
91.05466	39.8
93.07024	58.6
95.04971	3.8
95.08588	61.3
97.06509	3.5
105.07011	45.3
107.08575	30.0
109.06504	2.9
109.10144	17.2
117.07007	10.1
119.08567	34.5
121.06339	2.3
121.10101	20.1
123.11692	4.6
129.07005	3.4
131.08546	17.1
133.10110	23.1
135.11676	10.6
143.08556	5.4
145.10103	10.3
147.10622	2.4
147.11642	20.3
149.13197	3.9
157.10063	8.8
159.11702	12.2
161.13225	4.0
163.14783	4.0
165.12744	2.7
171.11659	4.3
173.13235	8.8
175.14853	2.8
199.14832	2.5
203.98192	2.4
236.14937	10.7
239.16386	12.5
270.53513	2.4
313.27371	4.5
335.25854	19.3
407.32712	3.6
425.33981	10.6
443.35345	4.1
499.37970	19.1
517.38824	56.6
518.39490	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	714.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66982	3.3
55.05506	49.5
57.03426	23.4
58.04734	3.8
61.02912	9.4
62.33802	3.7
63.51022	4.0
67.05494	82.0
69.03427	6.6
69.07063	7.0
71.04977	18.5
71.08656	4.9
74.09701	4.3
79.05479	43.1
81.03415	5.3
81.07036	65.7
83.04967	42.5
83.08596	4.6
85.02896	17.0
91.03942	4.9
91.05455	55.3
93.07031	55.7
95.04947	6.1
95.08592	47.9
97.02886	7.8
101.06001	76.7
105.07025	25.2
107.08607	19.7
109.10141	18.6
111.04397	27.6
117.07067	4.5
119.08531	27.7
121.10185	9.7
129.05482	50.6
129.07018	15.1
131.08548	8.4
133.10143	6.3
135.11771	11.8
137.09619	21.0
145.10121	4.8
146.59079	3.8
147.06564	14.2
147.08034	7.8
147.11623	4.9
165.09087	16.7
183.10231	5.9
221.49359	4.4
261.22058	7.8
322.04318	5.4
335.25763	100.0
497.30920	24.8
517.35101	15.8
660.80212	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	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05281	3.0
55.05505	30.8
57.03440	24.4
57.07071	3.4
58.06574	4.6
67.05495	79.5
69.07063	32.0
71.04966	3.3
71.08607	3.9
79.05476	65.3
81.07037	100.0
83.04942	4.1
83.08598	11.7
85.02412	2.2
85.02895	4.8
89.49097	2.4
91.05460	37.1
93.07023	66.2
95.04958	10.2
95.08588	61.9
97.06504	5.3
101.71509	2.6
105.07014	49.9
107.08572	36.2
109.06522	4.5
109.10127	20.5
109.21567	2.3
111.08071	2.4
117.07008	12.5
119.08551	42.7
121.10118	29.7
123.07999	3.5
123.11670	4.9
131.08563	19.4
133.10130	22.7
135.11673	14.2
143.08479	4.4
145.10112	16.4
147.11690	27.5
148.60606	2.4
149.13216	10.9
154.32751	2.5
157.10138	5.2
158.55205	3.0
159.11676	11.8
161.13187	4.6
163.14922	2.8
165.12711	9.9
171.11568	9.2
172.68919	2.9
173.13275	9.7
185.13208	3.5
236.14925	5.5
239.16444	15.7
270.38409	2.7
306.63220	3.1
323.86166	2.6
335.25854	23.7
407.32959	3.5
425.33929	12.6
441.40634	2.6
443.35382	10.2
499.37485	24.2
517.38940	68.0
533.80042	3.0
664.46429	3.5
674.64166	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	713.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05494	1.9
57.03421	2.0
61.02920	2.7
63.92027	1.3
67.05498	6.5
67.30207	1.2
68.38528	1.3
69.03406	3.2
73.02879	1.5
78.32242	1.3
79.05480	10.3
81.03391	5.6
81.07046	7.2
85.02904	3.2
91.03902	1.4
91.05469	13.7
93.07014	5.8
95.04965	2.1
95.08569	2.4
97.02871	5.9
97.06536	1.6
104.84334	1.3
105.07040	8.3
107.08562	2.6
117.06987	1.8
119.08582	5.5
121.06384	1.6
127.03943	2.0
129.07034	6.3
131.08563	2.2
133.10123	2.2
167.54231	1.6
171.11740	2.0
243.08484	2.5
260.65363	1.3
272.70560	1.5
371.50424	1.7
465.21179	6.3
489.20874	5.7
713.34961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01869	26.0
55.05512	23.1
57.03434	44.2
57.50762	2.2
58.48535	2.1
61.02914	11.3
61.09247	2.2
65.03924	3.4
67.05500	27.7
69.07055	4.3
71.04965	5.1
73.02892	3.4
75.08585	2.5
79.05479	59.3
81.03407	48.6
81.07037	37.2
83.01316	11.7
83.04987	21.9
83.08600	13.8
85.02892	79.2
89.23164	2.2
91.05461	59.1
93.07032	58.0
95.04964	20.2
95.08586	20.4
97.02866	13.4
97.06510	11.6
97.10160	2.8
101.78033	2.4
103.05461	3.8
105.07026	73.4
107.04939	41.8
107.08586	25.7
109.06509	19.3
109.10139	4.9
115.05410	13.5
117.07008	25.3
119.08572	20.8
119.09277	2.5
121.06496	17.7
121.10139	24.9
123.01186	2.6
123.08015	13.9
124.07572	4.0
128.06163	4.3
129.05490	3.1
129.06990	35.9
131.08542	25.2
133.06482	51.1
133.10085	5.7
135.08020	15.5
135.11693	13.5
137.09647	2.6
139.15231	2.4
141.06999	4.4
141.67784	2.5
142.07793	3.6
143.08569	19.7
145.10103	25.7
147.08009	3.8
147.11646	5.4
149.09599	10.1
151.07512	3.2
154.02405	2.9
155.08525	14.0
157.06535	3.1
157.10130	22.8
161.05884	3.7
163.11137	30.4
166.07793	4.1
169.10078	3.6
171.07994	3.4
171.11632	25.5
173.09572	14.8
181.10051	12.3
189.12723	4.4
196.27525	2.4
199.11118	17.3
209.11697	4.3
217.12225	31.5
235.13327	2.9
280.02908	2.6
283.15381	87.7
291.15906	11.1
309.17038	27.2
499.26639	19.8
517.27887	100.0
714.33588	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	713.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18586	2.0
56.98632	2.2
57.03408	2.5
59.54376	2.1
63.46802	2.2
67.05489	9.2
69.03426	3.1
72.31843	2.9
76.64637	1.9
79.05474	5.4
81.07045	9.3
83.08592	2.3
85.02888	5.2
88.96797	2.5
91.05489	6.0
92.09230	3.6
93.07003	13.8
94.07423	2.5
105.07020	9.4
107.08585	4.5
113.12582	2.3
117.06988	3.3
119.08528	5.6
121.10108	3.6
122.54073	2.6
133.10146	2.7
137.05977	2.6
141.79692	2.7
145.10156	3.0
165.09070	9.4
189.49321	2.6
243.08369	2.7
259.20703	2.5
272.92084	2.6
299.84872	2.7
339.09909	2.9
352.25613	4.4
353.25726	3.8
469.05338	2.8
551.28101	26.1
713.33325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.81468	0.2
55.01854	1.7
57.03421	0.9
61.02901	0.9
64.33107	0.3
68.99761	1.5
69.03408	6.3
71.04957	0.4
71.84320	0.2
73.02878	1.1
73.30470	0.3
80.28162	0.2
81.02941	0.3
81.03397	7.6
83.18015	0.3
84.85850	0.2
85.02889	8.8
87.00813	4.4
91.03915	0.5
97.02860	3.6
99.04415	2.0
101.60225	0.2
105.01859	2.2
107.04887	0.2
109.02869	5.7
111.00782	1.1
117.01809	0.9
121.02846	1.1
123.04345	0.3
127.03886	6.4
129.01787	0.4
129.28342	0.3
135.04433	0.3
137.02301	3.5
141.01862	0.2
145.04944	1.2
147.04346	0.3
149.02287	0.8
153.01826	3.0
159.02888	2.7
163.03824	1.8
165.01770	2.2
171.02797	0.3
173.05898	0.4
177.05399	0.2
183.02812	0.4
195.02953	0.2
201.05437	1.4
229.04926	4.6
231.04974	0.4
247.05917	1.0
257.04370	3.4
274.04703	0.9
285.03928	1.4
303.04926	100.0
304.05038	1.6
345.05933	0.6
351.16800	0.3
465.10199	12.5
523.27386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.6
53.00308	0.8
53.03924	2.2
55.01864	1.3
55.05264	0.9
55.05505	17.3
57.03424	12.0
57.07057	3.5
61.02599	0.9
61.02911	23.4
67.05491	36.6
69.03422	4.1
69.07050	14.7
71.01349	0.6
71.04974	3.3
73.02900	10.5
75.04453	1.3
79.05473	57.2
81.03413	4.6
81.07038	40.3
82.45161	0.6
83.04964	2.6
83.08604	8.4
85.02887	27.3
85.06516	2.6
91.03931	19.3
91.05460	47.7
93.07022	79.7
95.04952	7.8
95.08583	30.8
95.09197	1.0
95.34510	0.5
96.17690	0.5
97.02879	11.2
97.06496	3.0
97.10147	3.4
99.04405	1.4
99.08088	2.4
105.04475	0.8
105.07012	52.2
107.04940	2.4
107.08575	43.8
109.02872	0.6
109.06500	3.2
109.10151	12.3
111.08077	1.2
113.09608	0.6
115.05431	0.9
117.06992	16.4
119.08559	43.8
121.06461	1.1
121.10120	31.9
123.08006	1.2
123.11669	2.4
125.09560	0.9
127.03873	5.3
128.06169	0.9
129.06992	9.5
131.08543	18.9
133.10103	37.7
135.08015	1.3
135.11673	27.3
137.09613	0.9
143.08553	12.5
145.04921	4.4
145.10104	17.2
147.08002	1.0
147.11667	32.9
149.09572	3.2
149.12025	0.7
149.13228	17.0
151.11179	0.7
155.08530	1.1
157.10098	9.0
159.11653	13.4
161.09512	1.4
161.13225	20.5
163.05945	5.7
163.11188	1.3
163.14764	5.8
169.10069	1.1
171.11655	11.1
173.13242	8.9
175.11169	2.2
175.14783	9.7
177.12726	0.8
183.11674	0.9
185.13211	11.3
187.14740	1.4
189.12720	2.5
191.26463	0.7
195.11858	0.7
199.14822	6.1
201.12775	0.6
209.13391	0.6
213.16286	2.3
215.18021	0.8
217.15910	1.0
231.17372	1.0
231.21078	4.1
241.19469	18.9
242.19838	0.6
259.20508	46.0
277.21564	4.7
301.21286	0.7
310.22141	0.6
315.23239	0.6
333.24081	8.7
351.25223	100.0
352.25522	1.2
363.25186	2.5
375.25101	2.6
385.23343	0.8
387.25150	0.9
417.26431	1.3
441.26242	5.3
459.27255	4.1
477.28558	4.2
495.29462	10.8
512.31293	0.6
657.34076	1.0
730.71429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
54.88173	0.2
55.01851	0.5
55.05483	0.7
59.77639	0.3
61.02908	0.3
66.92109	0.3
67.05496	2.8
69.03424	2.5
69.07053	1.5
73.02877	0.4
79.05471	0.5
79.51456	0.3
81.03398	1.4
81.07033	3.5
83.08588	1.1
85.02890	5.2
85.06524	1.3
87.00797	2.4
91.03903	0.3
91.05429	1.1
93.07011	1.2
95.08568	2.3
97.02856	2.0
99.04409	0.4
103.09273	0.3
105.01826	0.6
107.04908	0.4
107.08578	0.6
109.02834	1.1
109.10146	4.1
119.07771	0.3
119.08539	2.5
122.07248	0.4
127.03867	1.8
133.10112	0.6
135.11682	0.4
137.09596	12.9
149.09589	0.4
159.02872	0.4
165.09076	100.0
166.09442	0.5
205.12236	0.7
233.87335	0.3
293.28256	1.4
351.24249	0.4
352.25281	0.3
427.35428	0.6
445.36606	2.7
711.35175	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	712.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05722	3.3
53.03939	5.7
55.01858	20.6
55.05500	26.3
57.03424	23.4
58.10115	3.8
65.33712	4.1
67.05498	56.5
69.03408	4.8
69.07064	7.2
69.69637	3.2
72.85110	3.4
76.82753	3.3
79.05474	100.0
81.03397	39.1
81.07046	50.4
81.25726	3.3
83.04962	6.4
83.08590	4.2
85.02889	54.3
88.61359	3.6
91.05463	75.1
93.07019	59.8
95.04940	24.9
95.08595	26.7
97.06507	6.2
103.05418	4.8
105.07018	86.1
107.04954	24.3
107.08582	26.3
109.06498	10.0
109.10136	3.8
115.05448	7.6
117.07022	20.9
119.08587	27.1
121.06500	8.4
121.10102	14.9
123.08086	15.2
128.06178	6.8
129.06966	40.3
131.08566	19.6
133.06473	35.3
133.10114	20.0
135.08031	7.1
135.11612	4.9
142.41670	4.1
143.08577	17.6
145.10159	8.2
147.08197	3.8
147.11707	20.9
155.08614	5.8
157.10083	16.8
161.13248	4.1
166.07692	6.1
171.11644	30.7
171.93312	3.8
173.09711	6.3
181.10045	5.2
181.65128	4.1
189.12758	6.6
199.11136	15.0
207.13847	7.9
217.12236	21.5
281.17490	66.4
291.15790	19.5
309.16953	9.3
380.82675	4.3
497.29160	47.5
512.81970	4.3
515.29968	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	712.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.6
53.00291	1.2
53.03939	4.5
55.01863	5.0
55.05504	29.5
57.03427	34.8
57.07062	4.8
61.02913	5.5
63.02295	0.7
65.03931	3.5
67.05491	99.8
69.06706	1.5
69.07051	27.0
71.01337	4.8
71.04985	4.7
71.08604	1.0
71.91608	0.6
73.02904	3.3
76.57202	0.7
77.03910	0.8
79.05475	86.1
81.03397	6.0
81.07039	70.5
83.04959	15.6
83.08601	9.4
85.02895	5.0
85.06530	5.5
91.03906	1.0
91.05457	38.1
93.07022	94.7
93.42235	0.8
95.04938	8.5
95.08586	46.4
95.09200	1.5
96.64972	0.8
97.02905	1.5
97.06503	17.5
97.10152	14.0
99.08075	2.0
105.04513	1.1
105.07018	15.4
107.04936	1.2
107.08576	57.7
109.06526	2.0
109.10136	21.6
111.08071	3.3
117.06999	13.4
119.08548	16.7
121.10119	22.7
123.08051	1.6
123.11705	4.7
125.09630	1.4
131.08545	12.3
133.10097	12.9
135.08031	1.4
135.11668	71.6
137.09607	1.2
145.10095	18.0
147.11668	5.4
149.13278	5.2
153.12730	3.0
157.10149	1.3
159.11696	3.9
159.84433	0.8
161.13246	3.9
163.11124	7.9
163.14864	3.6
173.13254	4.5
175.14708	1.2
181.12218	10.0
187.14838	1.3
231.75401	0.8
236.14897	0.9
243.20972	1.7
253.14308	3.1
255.15855	100.0
256.16016	1.2
261.22073	12.0
276.66687	1.0
278.91733	0.8
317.24866	0.9
335.25739	51.0
360.67975	0.8
423.32117	1.6
441.33295	1.3
510.73297	0.8
515.37262	74.5
516.37476	3.3
523.39972	1.3
533.38214	3.2
535.88818	1.1
591.36963	0.9
599.69275	0.9
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
54.81887	2.4
55.05257	1.8
55.05505	15.2
57.03433	11.0
57.07083	2.2
61.02914	25.7
61.50607	2.1
65.03911	2.3
67.05492	40.5
69.03416	4.3
69.07050	12.7
71.04961	3.8
73.02904	4.9
79.05473	51.4
81.03405	5.2
81.07042	37.1
83.04968	3.1
83.08601	4.7
85.02895	31.9
85.06535	2.9
91.03937	21.0
91.05460	52.4
93.07027	53.9
95.04916	3.8
95.08579	22.4
97.02866	15.3
97.10126	3.7
105.07018	57.3
107.04972	3.4
107.08596	27.0
109.06543	2.9
109.10141	19.3
117.07030	17.2
119.08569	50.5
119.66676	2.3
121.10101	26.7
127.03862	3.5
127.61073	2.2
128.06183	2.3
129.06981	13.1
131.08546	24.0
133.10104	45.3
135.11668	23.6
143.08554	12.0
145.04945	2.2
145.10085	20.3
147.11685	27.8
149.13269	12.1
157.10109	12.0
159.11656	19.2
161.13243	24.9
162.35374	2.3
163.05965	9.0
163.14735	3.2
165.09085	11.5
171.11662	13.2
172.22903	2.2
173.13268	11.0
175.14844	4.1
178.15381	2.8
185.13269	10.3
199.14835	2.9
201.16481	2.8
214.64632	2.8
241.19542	18.4
259.20538	53.1
351.25232	100.0
352.25681	2.9
386.13901	2.5
459.27658	3.6
477.28510	3.4
495.29477	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	708.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06810	3.8
57.07071	56.5
76.98982	3.5
91.05441	7.3
111.83841	3.5
119.89669	3.5
147.11575	5.6
171.65567	4.3
183.90442	4.4
244.27820	3.6
251.04607	6.0
286.88074	3.6
327.07736	100.0
383.14035	49.3
439.20200	84.3
463.07220	4.1
495.26712	79.4
551.32849	22.0
572.05383	4.8
607.39221	50.5
663.44989	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40294	1.2
54.81474	1.5
55.01868	9.1
55.05506	28.4
57.03429	30.1
61.02911	7.7
63.68009	1.0
65.03925	2.3
66.09981	1.1
66.46678	1.1
67.05496	51.1
67.42688	1.3
69.03410	9.8
69.07066	12.9
71.04976	8.0
73.02905	2.0
75.96941	1.3
79.05478	62.4
80.22997	1.5
81.03402	100.0
81.06591	2.9
81.07042	63.0
81.07518	2.4
83.04968	42.0
83.08610	31.4
85.02893	37.5
85.06533	7.8
88.54144	1.5
91.05463	77.7
93.07028	38.3
95.04951	55.4
95.08588	30.1
97.02860	6.0
97.06496	13.4
97.10168	3.6
98.15522	1.3
99.08076	2.9
102.53512	1.4
105.04546	1.5
105.07018	63.5
107.04934	21.3
107.08587	23.3
109.06509	16.7
109.10145	6.4
109.75106	1.5
111.04435	3.5
111.08076	12.5
113.06001	3.4
115.05492	2.1
117.07018	3.1
119.08567	51.1
121.06477	3.2
121.10135	18.6
123.08057	5.9
123.11675	7.0
125.09659	1.9
129.06978	28.2
131.08545	23.5
133.06458	2.8
133.10114	33.7
135.08040	7.4
135.11746	2.2
137.02280	1.9
137.09570	3.0
142.07739	5.5
145.10120	3.0
147.08044	5.9
147.11673	32.5
149.09604	16.0
151.11197	3.5
157.10091	32.2
159.11700	1.9
163.03871	1.9
163.11229	2.3
165.12718	9.7
169.48975	1.5
175.11133	24.8
184.07410	2.0
184.34686	1.6
193.12204	59.3
211.13268	51.0
238.00264	1.7
259.09546	1.4
267.15875	71.6
285.16922	59.0
367.22534	2.1
385.23663	1.6
403.24634	1.6
411.19705	1.7
459.27310	41.9
477.28351	57.5
495.29324	61.0
621.32373	1.7
639.33636	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	708.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01875	4.9
55.05503	22.4
57.03424	7.5
59.93202	4.5
67.05486	49.5
69.03429	5.8
69.07050	12.0
76.00014	4.2
79.05476	72.3
81.03397	10.6
81.07046	47.2
83.04966	21.3
91.05460	100.0
93.07027	54.2
95.04963	12.0
95.08587	30.0
103.05452	7.0
105.07023	53.4
107.04953	11.3
107.08569	22.6
117.06973	41.9
118.07403	4.5
119.08574	49.1
123.08059	5.0
128.06169	23.6
129.06998	68.5
131.08543	26.7
133.10066	7.3
135.08041	7.0
141.06981	10.5
143.08554	21.2
145.06488	5.3
145.10107	11.5
147.08034	29.6
147.11685	11.9
157.10057	5.4
161.13200	6.5
165.06891	4.4
169.10091	8.0
171.11673	21.0
185.13283	5.8
195.11674	6.1
213.12834	20.2
261.51306	5.6
281.17377	35.3
290.18088	4.8
343.83231	4.7
511.30557	78.8
527.37531	8.2
528.37653	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	708.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03927	2.8
55.01865	8.7
55.05511	11.3
57.03434	4.9
60.18813	0.4
61.02925	4.5
67.05494	21.9
69.03415	2.9
69.07056	17.4
71.04974	3.3
73.02930	1.8
77.58838	0.6
79.05056	1.0
79.05476	18.6
81.03397	11.5
81.07041	33.0
83.04967	7.5
83.08602	4.4
83.82721	0.5
84.63461	0.5
85.02901	6.2
85.06530	0.8
91.03925	2.7
91.05461	26.8
92.08626	1.2
93.07026	19.9
95.01308	5.0
95.04945	6.9
95.08591	16.3
97.02889	2.7
97.06512	11.7
97.10150	2.3
103.05477	0.6
105.07014	38.4
107.04954	13.0
107.08577	11.2
109.04404	0.5
109.06489	3.3
109.10101	5.1
111.04411	0.7
111.08051	1.0
117.07008	8.6
119.08568	20.3
121.06478	3.0
121.10104	6.5
123.04396	0.7
123.08037	3.0
123.11665	0.9
125.09650	1.1
127.03875	0.7
129.06976	2.2
131.08549	12.3
133.06401	0.9
133.10110	23.2
135.08005	2.1
135.10767	0.5
135.11664	4.7
137.09557	1.2
139.07507	0.8
141.06969	1.3
143.08551	3.4
145.06438	1.4
145.10114	8.4
147.11659	9.8
149.09599	6.5
149.13223	2.8
151.11150	1.2
155.08447	0.7
157.10123	2.5
159.11667	8.7
161.09633	0.6
161.13200	3.4
163.11145	2.2
165.09064	0.9
165.12590	0.5
169.10077	2.6
171.11629	1.0
173.13235	2.4
175.11217	0.7
177.12717	2.9
179.14291	5.2
183.11664	0.8
187.11125	2.6
193.12254	2.2
209.15491	0.7
211.13235	1.0
229.19493	0.7
236.26813	0.6
257.18945	2.4
267.15744	0.9
275.19986	20.9
285.16843	0.7
349.23682	100.0
350.24109	0.9
367.24683	2.6
435.27130	1.0
453.28146	2.2
461.28445	2.5
479.29507	2.5
511.28540	0.7
511.32687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69183	0.3
51.02345	0.4
53.00293	0.4
53.03952	2.8
55.01865	6.0
55.05507	8.1
57.03431	4.9
57.07072	0.4
59.04971	0.3
61.02910	4.7
65.03918	0.4
67.05495	19.2
69.03406	2.4
69.07056	19.7
71.04968	1.9
73.02903	1.4
73.28589	0.3
77.03951	0.3
79.05003	0.3
79.05476	15.3
81.03403	9.5
81.07040	29.9
83.04970	5.0
83.08616	4.1
85.02886	4.6
85.06521	0.6
91.03931	2.4
91.05463	23.6
93.07025	18.8
95.01318	7.1
95.04957	7.8
95.08587	18.1
96.67651	0.3
97.02895	2.5
97.06516	7.8
97.10141	1.7
99.04445	0.5
99.08058	0.6
103.05434	0.4
105.07014	33.8
107.04939	13.8
107.08588	9.1
109.02818	0.5
109.06498	3.4
109.10125	3.4
111.04395	0.5
111.08082	1.4
117.06993	8.1
119.08562	18.8
121.06484	2.2
121.10109	5.0
121.38364	0.3
123.04429	2.2
123.08035	3.4
123.11707	1.3
125.09595	0.5
127.03893	1.2
129.06961	2.4
131.04994	0.4
131.08540	13.2
133.06450	0.7
133.10110	21.3
135.04404	0.4
135.08023	2.2
135.11684	4.8
137.09625	0.7
139.07515	0.4
141.06967	1.4
143.08553	1.8
145.04897	0.6
145.06444	2.8
145.10098	8.5
147.08057	0.5
147.11674	7.9
149.09631	3.3
149.13228	3.4
151.11162	0.7
155.08583	0.6
157.10036	2.3
159.08012	0.4
159.11662	7.7
161.13220	3.4
163.11185	2.3
165.09129	1.6
165.12735	0.5
169.10106	2.1
171.11588	0.7
173.13286	1.5
175.11134	0.6
177.12740	2.6
179.14267	8.3
183.11659	0.8
187.11075	2.3
193.12234	0.4
195.13779	0.4
197.13342	0.6
211.14830	0.4
219.13808	0.5
241.14505	0.5
247.20517	0.6
257.18976	0.8
262.14890	0.3
267.15933	0.7
275.20020	19.0
293.21075	0.6
349.23679	100.0
350.24005	1.7
366.83978	0.4
367.24838	0.7
427.94714	0.4
457.25406	0.4
460.34836	0.4
470.49261	0.4
475.26730	0.7
479.29745	0.4
493.27853	1.9
511.28857	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	708.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14425	0.6
53.03942	1.8
55.01861	5.0
55.05508	12.4
57.03428	9.7
57.07073	0.9
59.04995	0.8
61.02922	6.0
64.49559	0.6
65.03934	0.7
67.05494	23.2
69.03423	4.1
69.07056	14.3
71.04980	3.6
73.02895	1.7
75.31789	0.6
79.05479	23.5
81.03403	15.7
81.07039	29.4
83.04964	10.6
83.08609	8.7
85.02882	10.7
91.03941	4.4
91.05459	21.5
91.05994	1.2
93.07024	24.8
95.04945	11.6
95.08583	16.3
97.02872	4.6
97.06510	9.5
97.10152	4.5
105.07014	25.0
107.04943	7.9
107.08581	17.0
109.06503	10.2
109.10143	7.4
111.04430	1.0
111.08067	4.2
115.05467	0.8
116.04692	0.9
117.07003	7.3
119.08543	14.8
121.06507	10.1
121.10117	10.8
123.08061	5.3
123.11688	1.4
125.09552	1.2
127.03899	1.1
129.05486	3.4
129.06999	5.2
131.08554	16.6
133.06467	1.8
133.10100	15.8
133.80368	0.7
134.10522	0.9
135.04428	1.1
135.08022	3.4
135.11676	7.4
137.02351	7.0
137.03264	0.8
137.09605	1.2
141.06987	1.2
143.08565	3.4
145.02774	1.2
145.06496	1.2
145.10101	13.2
145.11111	1.2
147.07993	3.5
147.11690	11.0
149.09612	5.9
149.13225	1.6
151.11183	3.2
151.43802	0.8
155.08556	1.3
157.10098	3.7
159.07986	1.0
159.11652	7.1
161.09566	3.2
161.13281	1.3
163.03874	9.2
163.11177	8.9
165.09158	3.3
165.12749	0.8
171.11723	1.1
173.09653	2.8
173.13242	3.4
175.11150	5.7
177.12737	1.5
187.11253	0.8
191.14224	1.2
193.12196	7.2
197.13248	1.3
201.12804	0.8
207.13721	1.8
211.13249	7.3
215.17918	0.9
219.13728	2.8
227.12669	1.1
229.14348	0.8
229.19620	0.9
239.17909	1.2
247.20430	1.8
257.18961	7.2
259.09622	5.4
265.14221	1.1
267.15887	4.9
275.20004	45.8
276.20273	1.2
283.15430	5.5
285.16910	6.8
293.21097	3.5
301.16360	3.6
349.23669	100.0
350.24069	1.9
353.87271	1.0
367.24686	0.9
439.26648	1.1
475.26895	1.8
493.28009	9.6
511.29001	8.6
607.50208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37758	0.2
54.81343	0.2
82.06618	0.2
88.07664	0.2
120.94527	0.2
158.72929	0.2
161.02968	0.3
185.04193	18.8
189.05383	0.2
203.05246	53.4
204.05505	0.3
245.05046	1.4
365.10477	100.0
366.10852	2.0
425.11450	0.3
554.51770	0.2
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
50.21864	1.9
50.26254	1.7
55.05492	12.0
57.03426	4.4
58.06578	2.2
59.72758	1.9
60.57257	2.2
61.02908	8.1
67.05498	17.0
69.03401	3.0
69.07051	4.0
73.02895	4.9
74.56625	2.4
78.80708	1.9
78.93345	2.2
79.05486	17.1
81.03414	2.9
81.07043	16.5
83.08583	4.3
85.02869	4.9
91.03928	3.9
91.05455	11.5
92.64226	2.3
92.90678	2.3
93.07013	9.7
95.08569	13.1
97.02857	9.1
97.10118	3.5
105.07017	8.2
107.08559	9.2
109.10094	3.7
117.07035	4.0
119.08566	11.2
121.10094	3.4
131.08496	3.3
133.10149	2.5
168.31609	2.1
170.63617	2.4
236.14853	3.1
243.08412	2.2
315.21225	2.5
325.45490	2.3
519.28992	4.8
535.36108	4.9
609.44421	3.9
707.39551	100.0
707.51398	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	707.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50513	2.1
55.05499	11.5
57.03424	2.5
58.06595	3.2
60.08161	2.7
61.02914	5.7
62.85028	2.2
64.93356	2.3
67.05483	18.8
69.07025	3.3
70.59501	2.5
73.02897	5.4
79.04956	2.2
79.05446	20.0
81.03391	4.9
81.07037	11.5
83.08621	3.7
85.02883	5.9
86.75510	2.4
87.74657	2.6
91.03919	5.5
91.05470	14.3
93.07027	12.5
95.08587	13.2
97.02871	5.8
97.10131	3.5
105.06999	12.6
107.08568	6.3
109.10152	4.3
117.06965	4.2
119.08578	6.3
121.10107	3.2
125.09637	4.3
131.08482	5.9
157.10075	3.7
159.11626	3.0
176.14641	2.6
184.07224	4.1
236.14967	11.2
341.03946	3.3
519.29071	3.7
527.37067	11.8
535.35876	3.3
707.39648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
53.03933	0.7
55.01636	0.4
55.01856	3.6
55.05505	7.9
57.03168	0.5
57.03428	6.8
57.07051	0.8
59.04969	0.3
61.02680	0.3
61.02918	4.3
65.03924	0.3
67.05137	0.5
67.05494	14.6
69.03420	2.5
69.06710	0.6
69.07054	10.0
71.04970	1.9
73.02895	1.6
79.05470	13.0
79.15115	0.3
79.64821	0.3
80.04992	0.4
81.03406	4.7
81.07037	20.6
83.04972	5.2
83.08604	4.8
85.02891	7.3
85.06535	0.7
91.03938	3.0
91.05464	13.8
93.07022	17.7
95.04945	6.6
95.08580	12.8
97.02875	2.8
97.06501	4.9
97.10167	2.8
99.04434	0.4
103.05447	0.6
105.07006	16.2
107.04948	6.7
107.08573	12.2
109.02843	0.5
109.06509	6.5
109.10142	5.3
111.04401	0.6
111.08067	1.7
113.06009	0.5
117.06998	6.0
119.04939	0.4
119.08559	12.0
121.06490	9.3
121.10124	7.5
123.08034	4.1
123.11700	2.4
125.09664	0.8
127.03896	1.4
128.06216	0.4
129.06976	2.8
130.07791	0.5
131.08548	12.0
132.08862	0.4
133.06467	2.3
133.10106	14.1
135.04387	0.6
135.08034	4.8
135.11661	4.6
137.02304	4.0
137.05917	0.3
137.09581	2.1
139.03961	0.3
141.06952	0.7
143.08539	2.2
145.02826	0.6
145.04880	0.6
145.06491	2.1
145.10112	11.7
147.08043	2.4
147.11661	9.5
149.09599	4.9
149.13232	2.7
151.11148	3.6
153.12743	0.3
154.07718	0.4
155.08537	1.8
157.08893	0.3
157.10086	2.8
159.08018	1.4
159.11668	6.1
161.09607	2.9
161.13248	1.9
163.03864	3.4
163.05949	0.5
163.11143	6.5
163.14751	0.6
165.09079	1.6
165.12698	1.5
169.10104	0.6
171.11665	1.6
173.09575	2.6
173.13229	4.0
175.11185	2.2
175.14833	0.7
177.12753	2.2
183.11673	2.2
185.13258	0.7
187.11116	2.8
187.14772	1.6
189.12703	0.4
191.14299	2.4
193.12248	2.1
197.13205	0.6
201.12746	2.8
201.16269	0.4
203.17732	0.4
207.13757	2.1
211.13254	0.8
215.14276	0.5
215.17908	1.3
219.13713	2.8
227.12680	0.7
228.10199	1.8
229.10564	0.5
229.19507	1.6
233.18979	0.6
239.17923	2.0
247.20490	2.9
257.18933	7.4
259.09485	2.8
267.15836	1.6
275.20010	44.0
276.20313	0.4
283.15402	1.8
285.16876	1.5
293.21063	2.4
349.23672	100.0
350.23987	2.4
367.24774	2.1
439.26559	0.5
464.11673	0.4
475.26962	0.8
493.27823	5.0
511.28943	3.6
557.17029	0.4
620.17883	0.4
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
54.21629	0.2
55.05494	0.3
57.07062	0.5
60.08152	8.5
64.14545	0.3
67.05482	0.6
69.07060	0.4
71.07357	4.9
74.93520	0.3
78.38004	0.3
79.05464	0.4
81.07035	0.6
86.09692	45.1
87.04453	0.6
92.08572	0.6
95.08571	0.5
97.10133	0.2
98.98449	4.5
104.10728	2.7
105.07013	0.5
109.10132	0.3
124.99983	31.3
143.00980	0.4
149.09531	0.3
169.05363	0.3
184.07310	100.0
219.34775	0.3
436.45349	0.3
553.31134	0.3
571.12262	0.3
652.00598	0.3
706.46411	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	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49396	0.8
53.00298	1.2
53.03939	6.0
55.01868	30.1
55.02121	2.0
55.05505	46.0
57.03429	38.9
57.03658	0.9
57.07054	3.4
59.04991	6.2
61.02917	14.5
65.03928	1.4
67.05496	46.3
69.03419	10.2
69.07054	16.0
70.04194	1.2
71.01347	2.0
71.04963	7.5
73.02885	10.2
73.54395	0.9
78.73656	1.0
79.05476	50.9
80.06248	1.3
81.02927	1.7
81.03399	39.4
81.07040	45.6
82.04192	6.5
82.07349	1.2
83.01329	15.1
83.04967	33.1
83.08605	26.5
84.02153	1.1
85.02884	15.6
85.06541	4.4
87.04428	1.1
91.03944	3.7
91.05463	45.6
93.07025	49.0
95.04945	28.6
95.08575	20.7
96.05737	1.6
97.02873	14.1
97.06510	13.5
97.10146	19.3
98.07295	7.5
99.04440	4.7
99.08083	1.2
101.06007	1.2
105.07016	27.2
107.04943	18.6
107.08574	32.8
109.02864	2.1
109.06506	14.0
109.10139	12.8
111.04449	4.7
111.08058	7.4
112.19247	1.0
115.05443	1.6
115.33635	1.0
116.04697	18.6
117.07002	16.6
117.66285	1.0
119.08569	21.8
121.06475	8.1
121.10122	13.8
123.08038	17.2
125.05962	2.2
125.09599	18.6
125.10419	1.4
127.03898	2.2
129.05457	41.2
129.06921	10.7
130.07794	1.7
131.04942	0.9
131.08521	13.0
133.10120	11.8
135.08051	4.7
135.11678	17.8
136.08842	1.4
137.02338	3.7
137.09601	3.9
143.07031	8.8
143.08453	4.0
145.10098	25.4
147.08061	5.9
147.11668	11.5
149.05972	1.2
149.09613	5.1
149.13261	1.3
151.11201	1.5
153.09091	1.3
153.12759	6.7
155.08537	2.0
157.08591	18.5
157.10136	6.2
158.05719	2.1
161.13213	1.1
163.03868	5.0
163.11151	37.7
163.12488	1.7
164.11775	1.0
171.06537	1.6
171.10162	5.3
171.11577	1.9
173.09581	4.0
173.11711	1.1
175.11150	5.3
176.11987	1.0
181.12222	5.5
185.11790	2.1
189.11182	9.4
191.10651	3.6
193.12248	6.5
199.13277	5.8
200.13979	3.1
207.13882	1.1
209.11668	10.7
213.05411	1.6
227.12689	14.7
239.16287	1.2
267.15741	11.7
281.17542	1.8
283.15347	79.0
284.15762	1.4
285.16855	1.6
299.14874	1.7
301.16406	63.4
306.53021	1.3
332.13562	1.1
337.16403	4.5
365.19409	2.0
425.25284	1.7
437.25116	6.6
457.25705	1.8
459.27170	1.6
473.28741	5.1
475.26703	9.2
477.28198	3.8
491.25604	1.9
491.30627	1.2
492.27115	6.0
509.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81677	0.4
55.05492	0.4
56.68906	0.3
66.95308	0.3
67.05485	0.7
68.46870	0.3
69.07046	0.3
69.61475	0.2
79.05477	0.7
81.03415	0.3
81.07041	1.3
91.05459	0.6
93.07031	0.7
95.08582	0.3
112.18971	0.3
119.08532	0.4
121.10093	0.4
133.10075	0.5
145.10127	0.4
147.11670	0.3
216.10188	1.7
270.14761	0.7
292.13007	4.2
302.17499	0.5
308.12479	4.1
324.15637	4.1
333.16617	9.1
333.20328	16.6
351.20035	0.6
352.18744	0.4
396.17746	100.0
397.17877	2.0
437.20337	0.4
478.17984	0.3
706.40149	0.4
721.55035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01866	2.7
55.05506	9.2
57.03432	4.0
58.84148	1.7
61.02926	2.7
61.59577	1.7
67.05493	16.6
69.03419	21.5
69.07056	3.9
70.77485	2.0
73.02912	4.1
79.05476	14.4
81.03390	31.4
81.07044	17.3
83.04957	4.3
83.08615	3.8
84.03949	1.6
85.02891	26.0
87.00827	13.4
91.03907	2.2
91.05477	12.8
93.07040	23.7
95.04977	3.6
95.08578	21.2
97.02878	18.8
99.04442	8.4
105.01848	8.9
105.06992	16.1
105.93272	2.1
107.08601	18.5
109.02879	18.9
109.06524	3.6
109.10169	13.4
110.62589	2.2
111.08094	2.4
117.07027	4.6
117.40293	2.2
119.08575	16.8
121.10124	24.0
123.11710	8.2
127.03874	23.6
129.07037	3.4
131.08566	4.5
133.10144	13.3
135.11618	18.7
145.04956	8.5
145.10144	4.9
147.11708	9.7
149.09660	12.0
149.13217	3.9
151.11131	2.7
157.10127	3.5
159.02888	4.5
159.11737	3.9
163.11137	7.8
165.09244	3.1
165.12715	3.2
169.83006	2.4
171.11790	4.4
173.13248	3.1
175.14787	3.4
189.16365	2.5
191.18004	13.0
203.14362	2.9
219.28262	2.3
246.32578	2.2
257.22809	2.1
342.40472	2.3
421.34552	3.1
439.35217	2.8
471.52426	2.1
529.19330	2.4
661.43317	11.0
705.42059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.5
53.03933	3.8
55.01860	6.5
55.05503	29.5
57.03145	0.7
57.03427	20.6
59.04990	3.5
61.02918	6.3
65.03920	1.0
67.05494	30.5
69.03083	0.8
69.03412	6.7
69.07049	7.5
71.01328	1.4
71.04967	4.8
73.02895	2.6
73.46767	0.6
79.05048	1.3
79.05475	27.1
81.03401	63.6
81.07039	44.0
83.04971	18.5
83.08605	35.9
85.02888	29.9
85.03412	0.6
85.06528	3.9
91.03940	3.0
91.05466	44.9
93.07023	33.5
95.04949	28.1
95.08586	14.1
97.02879	10.8
97.06511	10.7
97.10132	4.5
99.00179	1.3
99.00795	25.9
99.04471	0.7
99.08086	2.6
101.02356	0.9
103.05452	1.5
105.07015	38.3
107.04956	14.5
107.08585	15.5
109.02851	12.2
109.06506	9.2
109.10144	8.3
111.04447	4.3
111.08067	13.2
113.05977	2.3
115.03216	0.6
115.03884	4.9
115.05502	1.0
115.74440	0.8
117.06969	5.8
119.04910	1.3
119.08562	27.1
119.50192	0.6
121.06489	11.7
121.10121	8.8
123.04395	2.6
123.08054	4.8
123.11686	3.9
125.09622	2.3
127.03915	4.1
128.06209	2.6
129.06993	10.9
131.08546	12.5
133.06462	5.0
133.10110	51.4
134.10483	0.9
135.04463	0.8
135.08017	1.3
135.11646	2.9
137.02316	2.7
137.06006	2.4
137.09567	2.8
139.07552	3.8
142.07756	3.5
143.08560	5.8
145.06476	1.0
145.10132	2.7
147.08002	4.7
147.11667	12.4
149.09618	7.6
151.11177	12.8
157.10101	13.3
161.09610	19.7
163.03856	2.5
163.11119	2.9
165.09132	0.6
165.12732	3.8
171.08026	5.6
175.11166	11.5
179.10608	11.8
189.09070	10.2
193.12222	34.4
193.13943	1.5
197.11713	3.4
207.10184	3.4
211.13261	40.7
225.11215	9.6
239.00941	0.6
243.12277	2.8
259.09598	1.5
267.15878	14.8
269.96649	0.6
281.13852	3.6
285.16934	33.0
291.10641	0.7
299.14841	56.0
300.15308	0.9
343.08786	0.7
445.25888	1.1
473.24982	1.6
491.26251	14.5
509.27371	100.0
510.27548	3.6
626.99976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01862	5.4
55.05498	17.3
56.96553	3.3
57.03428	6.0
57.07044	3.1
59.39412	3.2
61.02915	4.2
65.18736	3.0
67.05508	27.8
69.03413	17.0
69.07052	17.4
71.04963	5.1
73.02857	4.4
78.01804	3.8
79.05482	36.3
81.03394	28.1
81.07027	38.2
83.04956	17.1
83.08618	8.7
85.02892	33.2
87.00799	5.6
91.05449	31.6
93.07032	58.2
95.04923	6.0
95.08587	46.3
97.02870	17.3
97.06522	6.3
97.10145	3.7
105.07024	38.8
107.08587	33.1
109.02864	17.8
109.06498	15.3
109.10123	27.3
111.04424	7.9
111.08040	4.8
117.06993	7.9
117.14931	3.8
119.08526	29.8
119.38377	3.8
121.10125	100.0
123.08078	6.9
123.11712	14.8
127.03886	22.9
129.07008	5.8
131.08534	16.6
133.10092	21.6
135.11664	19.0
143.08470	6.3
143.19666	3.4
145.10106	22.3
147.11690	25.4
148.78970	3.9
149.09595	47.3
149.13261	8.5
157.10059	6.3
159.02823	4.7
159.11664	6.9
161.13239	9.0
163.11148	6.8
175.14763	4.8
183.52553	4.1
189.12737	5.2
191.10643	4.4
191.17874	7.5
201.16425	7.7
203.18015	4.2
204.51082	4.4
227.12637	5.6
281.17230	6.8
330.03967	3.7
347.12308	4.4
421.34528	39.5
439.35959	5.3
507.29196	6.0
508.29614	16.5
643.42383	8.0
687.40930	41.7
705.33215	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01317	3.3
55.01858	4.4
55.05502	32.7
56.49746	3.0
57.03417	18.4
57.07069	5.1
61.02909	7.6
67.05489	56.2
69.03419	18.8
69.07058	15.8
73.02885	4.1
79.05482	48.1
81.03397	49.9
81.07054	48.3
83.04950	9.6
83.08601	25.2
85.02920	13.8
86.09639	5.5
91.05473	52.8
93.07027	45.9
95.04946	16.3
95.08595	33.5
97.02875	21.3
97.10152	6.0
97.77108	4.5
104.33283	4.4
105.07025	45.6
107.08571	23.0
109.06509	4.8
109.10153	15.7
111.08082	4.2
117.07011	24.8
119.08589	36.9
121.10145	15.2
125.09588	7.4
129.06995	18.1
131.08534	38.7
133.06448	5.8
133.10112	20.4
135.08084	5.3
143.08551	21.7
145.06470	5.2
145.10120	28.1
147.11717	9.2
149.09621	6.6
151.11107	4.2
154.79077	4.2
155.08548	15.8
157.10078	14.7
159.11667	16.7
161.13144	4.4
169.10066	7.6
171.11700	16.4
173.13176	5.3
175.11037	5.4
184.07376	15.1
185.13219	6.0
193.12206	14.7
195.11713	5.5
197.13208	4.9
211.13181	5.5
223.14732	4.1
257.63538	4.1
259.20523	8.7
263.17868	4.1
420.45602	4.4
433.30725	5.8
451.31876	5.7
469.33145	4.7
498.29800	5.0
507.34561	5.3
525.35706	30.1
543.36652	100.0
705.31525	8.4
705.41943	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	703.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90561	1.9
54.64273	1.9
55.05494	2.7
57.07082	18.1
57.07290	2.1
61.02917	5.9
67.05489	12.6
69.03413	3.9
71.08613	12.6
73.02887	5.1
79.05460	13.8
81.07050	4.0
85.02888	4.9
87.04459	3.2
89.06005	17.6
91.05458	2.7
93.07037	9.9
95.08553	3.9
97.02879	3.4
105.07024	3.3
105.54210	2.2
107.08598	6.2
121.10118	2.6
133.08588	4.6
136.30750	3.2
149.09529	3.0
170.87964	2.4
212.96103	2.4
425.17633	13.6
519.28955	3.5
576.87292	3.0
703.29559	3.4
703.40387	100.0
704.40710	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	703.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93435	3.9
53.03931	7.3
55.05507	65.1
57.03424	9.6
57.07067	10.3
61.02917	9.6
67.05495	50.4
67.76142	5.0
69.03400	23.1
69.06648	4.4
69.07047	13.4
70.06589	7.2
71.04985	5.4
71.42868	4.8
73.02926	7.1
73.50779	5.4
79.05483	48.2
81.03394	28.5
81.07048	49.0
82.72106	5.9
83.04961	22.8
83.08611	11.5
85.02877	10.0
88.07596	8.6
90.23778	5.0
91.05464	46.3
93.07019	29.6
95.04973	6.5
95.08591	10.5
97.02888	30.6
97.06452	6.5
97.10145	29.4
102.09156	5.1
105.07040	39.6
107.08573	35.7
109.10155	11.2
117.07018	32.1
119.08581	23.6
121.10139	8.0
125.09592	11.6
127.03952	8.5
129.06999	28.2
131.08557	32.5
133.10141	11.3
141.06938	8.4
142.07782	6.7
143.08543	32.4
145.10085	12.1
149.02292	49.8
150.02618	6.0
155.08549	11.2
157.10039	12.0
159.11629	11.3
168.07143	5.8
169.10110	24.3
171.11652	12.2
173.13232	5.8
183.11671	11.6
185.13206	10.4
193.04984	11.7
195.11723	10.1
209.13261	6.7
227.12686	9.0
237.16313	5.8
256.26358	22.8
429.11572	8.6
430.11984	7.9
431.29965	6.1
464.97534	6.7
504.79617	6.2
541.35181	100.0
634.75049	7.3
667.66516	6.0
702.38123	12.1
703.39075	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
57.03425	6.9
57.07067	7.5
58.06590	44.0
59.07373	14.0
60.08154	12.3
66.92637	0.6
66.99442	0.7
67.05485	3.5
69.07053	1.6
71.08614	6.6
75.04461	3.0
79.05467	1.9
79.26745	0.8
81.03401	5.6
81.07034	3.8
83.04953	1.0
83.08600	1.0
85.02877	4.3
85.10161	3.8
87.04453	4.6
89.06040	1.1
91.05453	1.6
93.07017	1.8
95.04960	1.7
95.08588	3.6
102.05502	1.2
105.07018	1.0
109.10168	1.5
113.05959	1.4
119.08578	0.9
131.07002	1.0
138.49321	0.7
144.10185	17.1
145.10608	0.8
162.11290	5.5
218.13901	0.9
220.28282	0.7
236.14886	100.0
237.15208	3.7
313.27087	1.1
323.99866	0.9
410.25369	5.1
412.37842	1.1
428.26251	4.6
456.36749	10.0
474.37799	14.5
596.99976	0.8
666.49316	77.4
701.49664	3.9
702.50061	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	702.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01862	0.5
55.05501	0.9
57.03432	6.2
57.07063	6.1
58.06591	39.5
59.04982	0.4
59.07086	0.5
59.07371	13.3
60.07861	0.6
60.08152	11.9
67.05499	2.8
69.07048	0.9
70.73094	0.4
71.04971	0.4
71.08617	4.6
73.02899	1.0
75.04469	3.9
79.05481	1.6
81.03394	5.2
81.07029	2.4
83.08586	2.2
84.08099	1.0
85.02877	2.5
85.10159	2.2
87.04449	6.0
89.06008	0.5
91.05441	0.8
92.08584	0.4
93.06991	0.7
95.04933	2.2
95.08579	2.7
97.06537	0.5
97.10130	0.4
102.05508	0.8
105.05476	1.0
105.06973	0.8
109.10120	0.6
113.05959	0.9
117.09113	0.4
119.08574	0.9
121.10120	0.5
129.06984	0.7
131.07019	0.7
133.08562	0.4
144.10193	17.2
149.09575	0.5
162.11253	6.1
200.12910	1.6
218.13803	0.7
236.14890	100.0
237.15208	2.1
301.16931	0.5
313.27246	0.7
410.25345	4.3
412.37552	1.0
428.26355	6.6
456.36755	8.3
474.37808	15.3
666.49298	73.5
667.48828	0.7
701.50085	0.7
702.38800	0.9
702.50159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40044	0.3
50.42686	0.3
53.47765	0.3
55.05494	0.4
57.07062	0.7
60.07868	0.6
60.08154	9.6
60.69882	0.3
65.83755	0.3
67.05496	1.5
67.13105	0.3
69.07069	0.5
71.07361	5.0
71.08623	0.3
79.05474	0.9
81.03380	0.4
81.07055	0.7
86.09695	51.4
86.91679	0.3
89.06002	0.5
91.05453	0.7
92.09356	0.9
93.06988	0.5
95.08582	0.9
97.10112	0.3
98.98460	4.3
104.10734	4.0
105.07111	0.5
107.08546	0.4
109.06439	0.3
109.10160	0.4
112.14793	0.4
115.75297	0.3
119.08524	0.4
124.99986	36.7
149.09485	0.4
175.49966	0.4
184.07312	100.0
241.52126	0.4
333.19565	0.4
379.85730	0.4
575.94983	0.4
661.07147	0.4
702.47003	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
54.41363	1.0
55.01630	1.2
55.01853	10.4
55.05505	84.2
57.03424	21.5
57.07054	2.2
59.05002	2.1
61.02903	6.8
67.05493	76.4
69.03427	11.7
69.07054	24.0
72.21778	1.2
79.05474	56.2
81.03394	1.8
81.07041	66.0
83.04959	6.4
83.08604	46.7
85.02874	4.9
85.06479	1.3
91.03951	1.8
91.05463	17.9
93.07024	44.9
95.04940	4.9
95.08593	35.7
97.02856	1.9
97.06491	2.2
97.10152	100.0
105.07031	13.3
107.08576	47.2
109.06512	1.9
109.10133	18.4
111.08072	4.9
117.07008	11.1
119.08572	8.6
119.70958	1.3
121.10136	17.9
123.11727	2.5
125.09611	87.8
125.10536	3.1
131.08524	7.7
133.10095	8.0
135.08025	11.2
135.11681	12.6
137.13293	1.4
143.10655	2.3
145.10104	5.0
147.11656	5.1
149.13274	5.9
153.09030	6.0
159.11691	7.8
161.13271	2.1
163.14783	1.8
171.10133	1.7
173.13168	2.0
189.11182	54.2
196.62025	1.3
227.12747	70.3
243.20953	5.1
245.13786	81.4
261.22018	19.2
311.45587	1.3
317.24622	1.9
335.25745	56.1
346.70630	1.5
487.33850	7.2
505.35150	36.9
523.35657	2.1
696.16785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
57.07066	9.2
58.06588	4.6
65.03944	4.6
67.05510	1.7
69.03431	1.8
70.06580	26.7
71.08617	3.8
72.08149	1.6
76.57191	1.0
79.05530	1.1
81.07065	1.0
88.07605	23.7
91.05482	2.1
93.07040	1.5
102.09165	19.3
109.10110	3.4
121.02892	2.1
132.10228	2.0
139.03905	2.4
146.11784	1.4
149.02336	95.7
149.03426	9.1
183.14421	1.1
193.04936	45.8
225.05437	1.7
236.18198	1.0
237.07536	7.5
256.26309	46.7
297.03973	1.6
300.29001	7.0
325.86780	0.9
341.06589	6.3
359.07532	2.2
385.09033	13.3
403.10004	12.9
429.11694	22.2
429.16626	1.3
473.14520	10.1
602.93500	1.1
702.38354	100.0
703.39423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.1
53.03938	4.0
55.01871	8.5
55.05506	78.7
56.03199	0.7
57.03427	25.7
57.07060	5.0
58.97612	0.8
59.04990	1.7
61.02920	6.7
65.03909	1.2
67.05493	81.7
69.03423	8.0
69.07056	27.1
71.04972	1.8
71.08631	1.1
73.02888	0.9
74.32298	0.8
79.05474	60.1
81.03402	1.6
81.07040	71.2
83.04967	4.0
83.08110	1.9
83.08604	50.1
85.02888	5.9
85.06519	4.4
85.93098	0.8
89.06033	1.0
91.03944	1.9
91.05463	22.3
93.07025	53.9
95.04926	4.5
95.08585	48.6
95.09196	1.8
97.02873	2.3
97.06499	1.7
97.10150	100.0
100.39139	0.9
101.09685	1.4
105.07021	16.9
107.04953	1.2
107.08577	50.3
109.06491	1.5
109.10150	21.3
111.08070	5.5
117.07018	9.2
119.08573	13.4
121.10120	20.1
123.11682	5.4
125.09610	84.4
131.08546	13.2
133.10150	7.8
135.08028	9.0
135.11693	15.0
143.10663	4.3
145.10109	6.1
147.11694	4.5
149.13220	6.6
153.09091	5.0
156.88255	0.9
159.11700	5.5
161.13235	4.5
163.14799	1.6
167.82022	1.0
173.13216	5.0
187.14780	1.9
189.11180	50.2
189.58235	1.0
227.12749	61.0
227.19994	7.7
243.21114	4.5
245.13789	80.4
261.22086	28.0
279.23181	1.8
317.24658	2.0
335.25732	75.0
399.52365	1.0
431.30875	1.3
487.33911	4.9
505.27603	2.0
505.35132	57.1
523.35876	3.9
529.36279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.7
53.03938	6.8
55.01864	8.3
55.05510	27.5
57.03426	13.9
59.04988	2.2
65.03947	3.2
67.05495	44.5
68.99851	1.7
69.07052	8.5
71.04981	2.4
79.05481	53.2
81.03399	11.1
81.07037	37.8
83.04977	14.8
83.08610	16.4
85.02859	3.1
85.06527	3.7
91.05464	60.4
93.07024	69.0
95.04952	21.3
95.08591	26.2
97.02863	3.9
97.06490	2.7
97.10123	3.1
99.00813	15.9
103.05473	2.7
105.07018	41.0
107.04955	9.4
107.08592	18.4
109.02856	8.6
109.06513	4.1
109.10144	7.1
111.08055	2.2
113.00806	1.8
117.06990	7.9
119.08559	25.9
121.06487	8.0
121.10110	4.2
123.08049	4.1
127.03895	1.9
128.06168	1.8
129.06964	15.5
131.08531	3.7
133.06479	3.4
133.10107	36.8
135.11673	2.8
141.06932	1.7
143.08562	10.2
145.10098	7.2
147.08035	2.9
147.11673	26.7
151.11151	6.7
153.86555	1.8
161.09604	15.2
161.13196	9.0
163.11142	2.0
171.08034	2.4
171.11650	16.2
179.10663	9.6
189.09149	2.9
189.12750	8.7
207.13695	12.5
225.11180	4.1
232.61209	1.7
281.14203	3.0
281.17410	44.6
283.15207	2.9
299.14841	34.7
384.89783	1.8
390.69714	1.8
444.09003	1.7
505.27863	100.0
543.73584	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	700.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.2
57.03431	5.0
57.07073	5.6
58.06591	31.9
59.07371	12.6
60.08159	9.1
67.05504	5.5
69.07052	1.4
71.08613	1.7
75.04461	2.7
79.05493	2.0
80.66874	0.9
81.07053	4.1
85.10175	1.6
87.04455	2.4
91.05492	1.6
92.08586	1.8
93.07022	1.8
95.08611	1.6
97.06512	1.4
103.03942	1.0
109.10168	2.1
116.10784	1.1
119.08568	1.3
131.07036	1.1
144.10202	15.1
149.09546	1.5
162.11284	5.0
218.13997	1.2
236.14883	100.0
348.49457	1.2
372.23618	2.3
387.19962	1.1
390.19998	1.0
390.24881	5.6
392.05737	1.0
394.73944	1.2
426.25262	1.4
444.26205	5.5
456.36700	9.1
474.37842	20.9
525.97766	1.2
545.40552	1.3
584.94769	1.3
628.47955	4.9
634.26770	1.1
682.48730	20.4
700.49811	66.3
700.62201	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	702.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01865	12.0
56.32867	0.3
57.03172	0.5
57.03431	9.1
59.04988	0.3
61.02913	4.9
63.89262	0.3
69.03416	37.8
71.01339	0.8
71.04974	1.9
73.02908	6.0
81.03403	3.9
85.02889	100.0
87.04446	1.7
91.03936	0.7
97.02870	37.1
99.04427	9.7
101.02349	5.9
103.03922	0.6
109.02853	6.6
115.03911	5.5
119.04920	0.4
127.03891	85.9
133.04964	0.5
135.04366	0.3
139.03973	0.4
145.04939	59.7
147.04434	2.1
160.32687	0.3
163.05980	18.2
180.08635	4.7
198.07925	0.4
198.09653	2.4
258.59082	0.3
259.08105	4.3
289.09119	5.0
307.10104	1.3
325.11246	9.6
343.12289	1.9
360.14883	2.5
428.92377	0.3
693.81647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62170	2.1
52.22434	3.1
53.00310	2.2
53.03922	6.4
53.25905	2.4
55.01862	5.1
55.05505	44.3
57.03428	15.3
57.07064	3.9
61.02917	3.3
64.01015	2.4
65.03937	2.3
67.05492	81.1
69.03408	6.8
69.07052	20.1
71.04978	4.0
79.05475	81.8
81.03401	26.4
81.07043	69.9
83.04975	21.8
83.08600	16.6
85.02892	17.7
91.05463	68.5
91.99464	2.7
93.07025	86.7
95.04947	42.5
95.08587	39.2
97.02871	3.3
97.06518	4.3
97.10145	15.7
105.01869	6.2
105.07025	54.8
107.04935	24.1
107.08601	34.5
109.06476	5.4
109.10135	14.7
117.07014	22.0
119.08551	39.4
121.06432	10.8
121.10131	14.2
123.08063	3.9
123.11691	2.8
125.09648	6.3
129.06995	11.9
131.08563	13.8
133.10112	17.0
135.08006	4.7
135.11649	6.1
141.06906	3.0
143.08528	6.0
145.10130	15.7
147.11627	29.9
157.10097	2.9
159.11690	6.6
161.13292	11.3
171.11620	21.8
175.14844	2.8
187.11191	3.2
189.12834	3.9
207.13818	12.1
223.13249	53.8
227.12628	4.3
229.14529	3.8
281.17444	34.7
295.60983	2.9
297.16916	36.4
381.35089	18.4
399.35757	3.9
435.27249	16.4
485.28653	4.6
503.29913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
53.55931	0.9
55.01867	5.4
55.05267	1.2
55.05509	22.0
56.96591	0.8
57.03432	2.2
57.98275	1.0
67.05497	16.8
69.03034	1.0
69.03411	26.6
69.07050	6.7
71.01344	2.0
71.04971	2.0
79.05480	10.0
81.03404	14.3
81.07041	13.6
83.04977	13.2
83.08612	7.9
85.02879	1.5
85.06547	4.1
91.05469	12.0
92.09280	2.4
93.07048	10.2
93.40273	0.9
94.77650	1.1
95.04970	4.3
95.08572	7.6
97.02870	6.0
97.06531	1.8
97.10158	2.3
99.04437	6.4
102.32703	1.0
105.07007	6.3
107.04923	5.1
107.08576	4.9
109.02864	4.3
109.10146	5.5
111.04409	2.1
112.04755	1.0
113.06018	7.9
115.05444	2.0
117.06982	1.5
119.08568	4.4
121.06452	0.9
121.10130	4.2
123.04431	4.0
123.08046	1.2
127.03901	2.4
129.06987	6.0
131.04878	1.5
131.08557	2.3
133.06461	2.1
133.10117	7.0
134.69609	1.0
135.04375	3.5
135.08006	1.2
135.11696	2.0
137.09616	1.5
139.05423	5.0
141.06909	1.1
141.32057	1.0
143.04878	1.8
145.06485	4.1
145.10095	4.5
147.04370	2.0
147.11699	4.8
149.06006	1.7
149.09587	1.7
149.13277	1.5
151.18419	1.1
153.06972	2.1
155.08533	2.0
157.06473	4.5
157.10132	1.6
159.04356	1.3
160.05196	1.1
161.05957	11.6
163.03870	14.1
163.11171	6.4
165.05576	1.4
165.07014	1.5
167.04907	1.4
167.08582	2.1
169.06468	5.0
171.08037	1.3
173.05956	100.0
174.06403	1.1
175.03905	6.3
175.07530	4.5
177.05522	1.5
178.07721	1.1
179.08537	1.9
181.06439	12.1
183.08034	1.6
185.05943	14.4
187.03813	1.8
187.07539	25.3
189.05428	9.9
191.03268	1.1
191.10648	1.8
193.06442	2.2
195.08002	5.6
197.05910	18.3
197.09622	1.4
198.06642	1.9
199.03883	1.1
199.07524	26.8
200.04677	1.2
201.05429	53.6
201.09117	1.3
203.07010	6.4
207.08069	2.3
209.05896	3.9
210.06761	1.9
211.04010	0.9
211.07487	14.8
213.05437	34.2
213.08952	12.5
215.06999	17.4
217.04924	70.2
221.06047	1.5
221.13100	1.2
223.07541	4.2
225.05460	17.7
225.08958	7.5
226.06190	6.0
227.03540	1.4
227.07007	32.3
229.04915	43.5
229.08575	4.4
231.06367	1.5
235.07585	2.2
237.09026	1.5
239.06961	8.5
239.10715	2.1
241.04799	4.3
241.08604	2.2
243.06528	10.6
243.08623	1.4
249.09149	1.9
249.12741	4.7
251.07048	1.4
251.10660	1.4
253.08524	6.5
263.14258	1.6
265.12238	2.4
267.11053	1.4
267.13678	13.3
281.15314	8.0
283.13348	4.1
285.14923	3.9
291.13641	7.5
293.11664	1.4
295.13345	4.3
309.14804	11.1
311.12793	20.9
313.14316	26.9
319.13199	4.5
323.25485	1.2
327.15793	12.4
329.13800	71.7
330.14288	1.1
337.14270	35.9
347.14874	2.4
355.15350	99.5
373.16400	92.7
374.16138	1.3
391.17636	1.4
473.18478	1.2
517.20496	4.7
535.21301	4.6
613.80951	1.2
633.25189	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	698.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.5
55.01841	0.6
55.05510	2.7
56.04988	0.3
57.03426	6.1
57.07069	5.5
58.06594	42.3
59.04962	0.3
59.07373	13.6
60.08153	10.5
62.32150	0.3
64.52745	0.3
67.05493	4.9
68.37074	0.3
68.83347	0.3
69.07022	1.8
71.08631	3.4
73.02863	0.5
75.04465	3.1
79.05483	3.0
81.03360	0.6
81.07031	4.8
83.04955	0.4
83.08568	2.0
84.08113	0.6
85.02898	2.5
85.10129	1.5
87.04445	4.4
89.76653	0.3
91.05433	2.3
92.08556	0.8
93.05466	0.4
93.07040	2.4
95.04913	0.7
95.08576	3.3
97.02868	0.4
97.06488	0.5
97.10093	0.5
99.00764	2.0
102.05483	0.5
103.03905	0.4
103.05432	0.4
105.05454	0.5
105.06976	2.0
107.08566	0.7
109.02870	0.6
109.10107	1.7
113.05985	1.3
119.08498	0.6
121.06484	0.5
129.06958	0.4
130.08632	0.5
131.06993	2.1
133.10126	3.1
134.89644	0.3
143.08530	0.4
144.10188	15.6
151.11133	0.5
158.15320	0.5
159.06596	0.4
161.09618	0.5
162.11226	6.8
179.10603	0.4
200.12846	0.5
218.13786	1.3
236.14896	100.0
237.15308	0.8
313.27304	1.3
369.29770	0.5
398.25079	0.5
412.37903	0.8
442.24341	4.6
456.36792	7.7
460.25253	9.0
474.37854	14.6
545.38196	0.7
698.48260	93.9
699.48279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74334	0.2
53.03944	0.4
55.01876	0.4
57.03428	0.4
61.02913	0.7
62.32346	0.3
69.03413	1.8
69.21688	0.3
71.04967	0.5
76.09776	0.3
81.03407	1.7
85.02898	8.1
91.05465	0.8
94.04137	0.6
97.02895	2.3
100.85577	0.4
103.05458	2.1
107.04964	0.5
109.02908	0.5
109.06510	0.5
111.04433	2.0
114.92149	0.3
115.05436	5.9
117.06997	2.0
119.04951	0.3
122.03599	3.1
125.05981	1.7
127.03900	1.3
128.06183	0.7
129.06984	5.5
131.04919	3.5
133.02895	0.4
137.05965	77.6
138.06306	0.7
139.16010	0.3
142.06747	0.3
143.03812	0.6
143.04913	13.2
144.05650	0.7
145.04997	0.7
145.06464	1.7
146.03546	0.3
147.04396	0.5
147.08090	0.4
151.03940	0.5
151.07558	0.6
153.05423	1.5
157.06473	6.2
160.05168	18.2
161.05911	2.5
162.07652	0.3
163.03799	1.6
163.07538	1.9
165.49191	0.3
172.05197	2.3
173.06065	0.5
174.06741	2.3
175.07521	100.0
176.07835	1.4
177.09038	0.4
180.08601	0.5
187.07515	38.3
189.09064	7.8
193.08556	0.6
199.07483	0.4
203.08517	1.9
205.08575	14.1
211.07549	1.7
217.08562	2.6
219.08006	1.5
220.08734	0.5
231.07997	2.1
235.09625	22.4
239.07019	1.8
240.07965	0.5
246.37004	0.4
247.07458	0.6
248.08284	2.4
251.10408	0.5
255.06497	1.7
259.07486	0.8
263.10596	2.3
270.08969	2.4
271.09637	3.1
276.07709	1.5
277.08578	0.7
279.10168	1.6
283.09744	1.0
287.05606	0.4
291.10135	5.1
292.10712	0.4
296.10336	0.8
311.12720	2.4
314.49203	0.4
323.12689	4.8
341.13834	7.3
551.36365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02336	1.0
53.00286	1.6
53.03932	2.5
54.31404	0.9
55.01861	12.1
55.05507	26.1
57.03428	23.6
57.07071	2.4
57.49555	1.3
61.02909	2.8
67.05493	77.5
69.03414	1.4
69.06760	1.4
69.07059	20.0
71.04975	2.4
73.02910	1.4
77.44647	1.3
79.05476	100.0
81.03383	2.3
81.07040	63.3
83.04957	1.9
83.08600	7.2
83.36384	1.0
83.59877	1.2
85.02876	5.2
91.04882	1.7
91.05461	48.1
91.54120	1.2
93.07024	93.6
95.04960	7.3
95.08591	47.6
97.02823	1.6
97.06508	6.8
105.07011	43.2
107.08574	41.2
108.71557	1.2
109.06497	2.7
109.10155	20.1
111.08069	2.3
116.06213	1.2
117.07001	15.9
119.08562	24.5
120.54185	1.1
121.06483	2.3
121.10119	41.2
123.08037	2.4
123.11692	2.2
125.09604	1.7
128.06189	1.4
129.05487	4.5
129.06978	11.8
131.08542	46.0
133.06459	1.4
133.10136	17.2
135.07950	1.9
135.11656	11.8
141.06979	2.0
143.08554	13.7
144.09348	1.4
145.10118	17.7
147.08070	2.0
147.11665	9.2
149.09604	50.9
149.13261	7.0
155.08543	7.1
157.10126	15.3
159.11664	18.7
161.13245	6.0
163.14938	1.5
167.08537	3.0
169.10057	9.9
171.11629	9.5
173.13223	10.3
181.10115	6.8
183.11656	8.1
185.13243	9.1
187.11134	1.4
187.14783	4.8
195.11597	5.2
197.13261	5.7
199.14764	6.4
207.11658	1.6
209.13185	5.5
211.14842	5.0
213.16342	1.5
221.13289	1.8
223.13034	3.1
223.15024	1.9
225.16414	1.8
236.14897	1.5
237.16489	1.6
239.17876	1.6
243.21051	1.4
251.17888	2.1
259.20407	1.4
261.22104	1.5
268.70474	1.3
271.20645	1.6
297.21521	1.2
306.09207	1.6
325.25192	2.2
335.25781	60.5
391.29849	9.1
392.29770	1.7
409.30972	25.7
417.30011	2.9
427.31647	1.5
483.34512	16.2
501.35602	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	698.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01583	5.8
52.36491	6.4
55.01862	15.2
55.05505	70.8
57.03431	12.9
61.91394	6.4
64.58703	6.8
65.89442	7.5
67.05493	82.6
69.03419	13.3
69.07070	10.1
71.05003	8.7
75.45321	7.8
79.05478	99.0
81.03399	19.7
81.07066	60.9
81.29121	7.5
81.39884	8.3
83.04987	14.2
83.08593	19.2
90.23925	7.0
91.05470	76.8
92.08714	22.4
93.07029	76.1
95.04944	55.2
95.08591	17.3
97.02876	12.6
97.06522	15.4
97.10178	12.3
105.07025	54.3
107.04951	17.6
107.08564	35.9
109.02885	8.7
109.06523	12.1
109.10179	9.8
115.05450	11.3
117.07018	63.9
119.08593	14.1
121.06490	16.9
121.10152	15.7
125.09638	18.2
128.06219	9.2
129.06989	58.7
131.08557	41.3
133.06487	12.0
133.10149	8.9
135.11740	11.4
141.06982	15.4
143.08566	36.1
145.06433	16.6
145.10092	18.2
153.12750	13.7
155.08557	41.0
157.06396	27.8
157.10124	11.8
159.08051	9.4
163.11177	8.7
169.10069	13.3
171.11647	9.7
173.09549	9.5
181.10214	12.8
181.12267	9.0
183.11798	10.3
199.11227	9.3
201.87187	8.3
205.10089	9.3
239.14198	9.5
257.15335	8.4
302.83694	9.7
363.23352	12.7
391.22620	45.5
395.48032	9.8
409.23593	12.0
465.26221	13.0
483.27325	98.0
501.28433	100.0
519.28619	11.4
520.02271	8.2
530.48871	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	698.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01855	14.4
55.05297	2.6
55.05502	39.5
57.03421	11.7
61.02897	5.4
67.05494	45.9
69.03407	10.0
69.07045	12.4
71.04974	5.2
73.32140	2.4
79.05476	62.1
81.03394	15.8
81.07035	45.9
83.04965	24.5
83.08605	17.1
85.02890	12.9
90.15414	2.9
91.05445	44.0
93.07022	56.4
93.44975	2.8
95.04934	12.2
95.08613	23.1
97.02843	12.4
97.06503	29.1
97.10150	16.5
99.04417	6.0
105.07032	31.8
107.04917	19.0
107.08591	31.8
109.06508	3.5
109.10172	11.4
111.04425	51.9
111.08034	6.4
115.05418	4.6
117.07000	39.1
119.04903	3.3
119.08567	10.7
121.06512	5.5
121.10117	16.5
123.04313	2.9
123.08073	10.7
124.07564	4.1
125.09579	17.7
127.03914	3.6
128.06178	3.9
129.06993	25.5
131.04921	3.7
131.08546	39.2
133.06454	4.3
133.10129	6.9
135.04428	6.0
135.08067	6.5
135.11682	11.2
137.09579	3.3
140.08598	2.8
141.06984	14.7
143.08534	6.6
145.06387	3.9
145.10114	19.5
147.11699	4.5
149.09575	6.6
153.12671	4.0
155.08572	16.2
157.10077	5.6
161.02385	3.3
163.03841	23.3
163.11176	12.8
164.41896	2.7
167.08566	6.1
169.10068	3.8
171.08043	3.9
173.09639	5.2
173.13234	6.7
176.28578	3.4
179.08488	4.9
181.10043	4.3
181.12253	4.6
183.11627	5.4
193.10088	3.5
193.11963	2.6
201.12706	3.7
213.05510	5.1
227.12695	5.5
270.71405	2.8
283.15405	24.6
290.43015	2.9
337.14304	4.7
355.15323	22.8
373.21371	4.1
391.22470	5.5
409.23569	3.7
427.24664	4.4
483.27405	19.3
501.21722	4.1
501.28433	100.0
519.29486	24.1
535.21826	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	698.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
58.10542	0.2
67.05466	0.5
69.03390	0.6
72.11463	0.2
79.05449	1.2
81.03371	1.5
81.07012	0.3
85.02864	1.6
87.00814	0.9
91.05430	1.0
93.06995	1.3
94.06512	1.5
95.04884	0.3
97.02847	1.3
97.06522	0.3
99.04357	0.2
103.05408	0.6
105.05730	0.3
105.07014	0.3
106.06547	3.1
107.07324	16.1
108.08110	3.4
108.43497	0.2
109.02845	1.0
109.06547	0.2
111.04420	1.0
112.07590	0.3
118.06488	0.5
119.07282	0.5
120.04471	2.3
120.08080	24.7
121.05193	0.3
121.08951	0.8
122.05991	1.1
122.09638	2.0
124.07545	1.4
126.89516	0.2
127.03855	1.0
131.07295	0.4
132.08066	0.3
133.07599	0.4
134.05965	1.3
136.07533	0.4
137.08308	0.2
138.09109	2.9
144.08089	0.3
145.07590	0.4
145.08766	0.3
147.06781	0.4
148.07562	2.2
150.09009	0.3
152.07047	0.3
158.05940	1.1
158.09604	1.4
159.09106	2.1
160.09894	0.4
160.11177	0.4
161.07004	0.2
161.10651	0.4
162.05463	7.7
162.09041	0.3
164.06998	1.4
168.08037	0.6
169.08824	0.3
170.09541	0.4
172.11130	0.3
173.10690	3.2
174.11435	2.5
175.12227	0.4
182.09663	0.3
183.10402	2.8
184.11278	0.5
186.07875	0.3
186.11478	0.5
187.12268	2.0
188.10710	0.5
196.11234	0.4
197.10558	0.4
198.09134	2.6
198.10869	0.2
198.11313	0.2
198.12796	3.4
199.08633	6.0
199.12209	1.6
200.09308	3.1
200.11124	0.2
200.13046	1.1
201.13852	2.4
202.12201	0.9
210.09177	0.9
212.10686	1.2
212.12675	0.3
213.10208	5.0
213.13643	0.3
214.10735	3.1
215.11780	29.1
215.15279	11.3
216.12187	0.4
217.69955	0.3
223.12450	0.3
225.10179	0.3
225.13809	0.5
226.12213	5.2
226.14578	1.3
227.11684	7.9
227.13455	0.3
227.15152	0.4
228.10303	0.4
228.12511	11.1
229.13324	37.9
230.08075	1.0
230.13782	0.3
239.11784	0.9
241.09572	1.9
241.13292	3.2
242.14003	0.4
243.14880	100.0
244.15633	17.0
245.16444	2.3
253.09741	1.8
257.12756	1.4
266.10535	0.5
267.11224	1.2
269.12778	6.8
270.13474	0.9
271.10797	0.4
271.14520	0.5
273.12238	1.5
285.12292	0.3
287.13870	1.2
288.14511	0.3
289.15381	1.1
346.19196	0.5
355.15302	0.4
362.18411	0.3
364.20099	4.1
372.16998	0.5
388.20044	0.4
390.17993	2.6
406.21185	56.0
407.21497	2.0
408.19077	1.5
432.19168	4.2
450.20230	5.7
454.21082	0.5
646.95184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92217	0.3
53.03944	0.6
55.01881	0.4
55.05503	1.8
56.96001	0.3
57.03424	3.0
61.02914	6.1
67.05501	3.1
69.03420	4.1
69.07050	0.7
71.01350	0.3
71.04978	1.2
73.02883	3.1
79.05471	3.5
81.03400	7.0
81.07035	3.8
83.04967	2.1
83.08620	1.3
85.02896	7.5
87.04443	0.4
89.18163	0.3
91.03947	3.6
91.05466	5.4
92.05804	0.3
93.07027	2.8
95.04952	3.8
95.08615	1.8
97.02866	5.4
97.06535	0.7
99.04471	1.2
101.02370	3.3
105.07032	4.3
107.04936	1.4
107.08595	1.7
109.02899	1.1
109.06525	1.2
109.10170	0.4
111.04459	0.5
111.08098	1.3
113.06037	0.4
115.03875	0.5
117.06969	0.3
119.08551	3.1
121.06454	0.4
121.10103	2.4
123.08086	0.5
127.03900	1.8
129.06967	2.4
131.08560	1.2
133.06558	0.3
133.10135	2.4
135.07982	0.3
137.05949	0.7
142.07800	0.6
147.08067	0.5
147.11679	2.5
149.09557	0.5
157.10075	2.3
163.03909	0.4
163.07603	0.3
165.12704	0.4
175.11169	2.2
193.12259	2.6
211.13358	1.7
243.08340	3.1
251.12485	3.0
280.69586	0.4
285.17010	0.6
307.15100	1.1
403.26672	0.4
469.20340	16.8
697.33948	100.0
698.34399	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	696.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33667	0.9
55.01876	1.5
55.05509	1.9
57.03432	5.7
57.07072	4.5
58.06591	37.0
58.06876	1.7
59.07370	12.1
59.94159	0.9
60.08159	9.9
62.45749	0.9
67.05490	6.4
67.43032	0.8
69.07053	1.7
71.05010	1.1
71.08617	1.8
75.04469	2.0
79.05482	3.9
81.07047	3.8
83.08628	1.5
85.02920	1.4
87.04449	2.2
91.05470	1.9
93.07014	1.2
95.04986	1.9
95.08582	3.7
105.07013	1.3
108.40727	0.9
109.10158	1.6
119.08508	1.1
131.07106	1.5
144.10185	13.6
162.11279	5.5
192.38387	0.9
236.14894	100.0
313.27542	1.5
412.38113	1.1
440.26309	1.9
456.36798	7.3
458.27634	4.0
474.37787	12.2
528.37421	1.0
545.58746	1.0
643.83307	1.1
696.50366	85.4
697.50238	4.2
711.26483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1606
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03938	1.6
55.01661	0.1
55.01869	1.4
57.03424	0.7
61.02914	1.0
63.75401	0.1
68.99776	0.9
69.03419	4.8
69.03799	0.2
71.04974	0.8
73.02894	0.9
81.03403	6.6
85.02893	7.3
87.00316	0.2
87.00816	3.7
87.04404	0.1
91.03940	0.5
95.04935	0.1
97.02875	3.1
99.04436	1.9
101.02373	0.1
105.01852	1.8
107.04906	0.2
109.02864	4.5
111.00784	0.5
111.04440	0.1
117.01824	0.9
119.04896	0.2
121.02849	2.1
127.03894	4.8
129.01840	0.5
133.02812	0.5
134.51575	0.1
135.04422	0.4
137.02310	0.9
137.05971	0.5
139.03851	0.1
145.04932	1.2
145.06027	0.1
147.02919	0.2
147.04401	0.8
153.01796	2.8
157.06392	0.1
159.02861	2.2
161.05904	0.2
163.03889	0.6
165.01797	1.9
171.04333	0.1
175.54094	0.1
183.02829	0.9
185.05957	0.2
189.05492	0.1
197.05965	0.2
213.05466	1.1
231.04831	0.5
231.06665	0.5
241.04887	0.8
258.05167	1.0
259.06009	0.4
269.04501	0.1
287.05450	100.0
288.05713	1.1
299.05576	0.2
329.06436	0.6
330.47720	0.1
420.26291	0.1
449.10712	9.1
450.10919	0.1
574.32007	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	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03942	1.0
55.01888	0.9
55.05508	23.0
57.03428	7.1
57.07066	10.9
61.02916	33.8
62.58913	0.6
65.03926	0.7
67.05494	82.3
69.03420	4.5
69.07059	29.4
71.04990	2.4
71.08618	5.4
73.02905	12.7
74.83606	0.7
79.05471	19.1
81.03407	1.5
81.07041	100.0
83.04971	1.4
83.08604	22.7
83.09087	0.9
85.02892	31.5
85.06541	2.5
85.07034	0.6
85.10153	2.3
87.04416	0.8
91.03937	25.0
91.05463	18.1
93.07026	28.9
93.07637	0.9
95.04961	1.4
95.08590	85.6
96.75842	0.6
97.02882	17.1
97.06499	6.2
97.10152	10.7
98.07352	0.7
99.08080	4.4
105.07017	14.2
107.08578	19.9
109.02884	0.9
109.06480	0.8
109.10145	43.5
109.16286	0.6
111.08055	3.8
111.11726	3.0
113.09623	2.3
115.03945	0.9
117.05452	0.7
119.08569	15.7
121.10120	20.1
123.11689	18.0
125.09647	0.7
125.13293	0.8
127.03883	7.5
127.11211	0.7
127.32027	0.7
129.06995	1.0
131.08609	0.7
133.10123	15.4
135.11670	11.4
137.09608	1.3
137.13223	8.3
139.11240	0.8
145.04993	6.8
147.11671	11.1
149.13229	8.2
151.11162	1.4
151.14777	5.5
155.14294	1.4
161.13231	13.9
163.06004	8.8
163.14784	10.6
165.09102	0.8
165.16376	5.4
167.14162	0.8
175.14815	10.1
177.16437	1.4
179.14415	0.7
179.17932	4.0
189.16365	5.6
193.15825	0.9
200.32719	0.8
203.17883	1.3
245.22600	43.0
256.51196	0.7
263.23645	69.8
265.25085	1.1
281.24759	0.8
318.20972	0.7
337.27295	48.3
355.28415	16.2
418.58240	0.7
499.32489	3.7
655.40649	0.8
660.12378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.6
53.03927	1.2
55.01860	0.9
55.05507	21.0
57.03428	8.9
57.07076	12.0
58.06956	0.8
61.02918	35.5
63.69894	0.7
65.03938	0.9
67.05496	83.5
69.03423	4.0
69.07059	25.6
71.04995	1.8
71.08614	6.8
73.02906	14.5
75.38613	0.7
75.99642	0.7
79.05473	23.0
81.03399	1.7
81.07042	100.0
83.04952	1.6
83.08612	19.6
85.02895	36.7
85.06547	3.5
85.10171	1.3
88.61441	0.8
91.03944	30.3
91.05459	20.1
92.08720	1.0
93.06477	1.5
93.07027	24.8
95.04958	1.9
95.08591	86.8
97.02875	19.0
97.06532	7.8
97.10158	14.0
99.04425	1.3
99.08104	4.1
105.07012	14.8
107.08577	19.2
109.10148	40.6
111.08063	4.1
111.11720	1.9
113.09645	1.9
114.37657	0.8
115.03932	1.0
119.08566	16.6
121.10126	22.2
123.11683	18.2
125.09668	0.8
127.03900	8.4
127.11190	1.1
131.08539	1.1
133.10117	19.5
135.11674	11.8
137.09581	1.0
137.13213	9.4
139.11201	1.1
141.12709	1.1
145.04956	11.1
147.11682	13.2
149.13237	9.2
151.11122	1.0
151.14828	6.5
155.14337	1.8
159.11607	0.9
161.13252	16.2
163.05971	15.1
163.14801	10.3
165.12730	0.9
165.16399	5.3
175.14795	10.6
177.16354	1.7
179.18001	5.4
189.16362	5.0
219.21017	0.9
245.22598	47.8
263.23657	81.0
265.25211	1.8
281.24670	1.2
337.27356	34.7
355.28415	12.5
362.89874	0.9
499.32230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80376	1.4
55.05500	3.2
57.03418	2.6
57.07066	3.4
57.40777	1.5
61.02899	2.9
64.31485	1.6
67.05496	9.7
69.03417	2.9
69.07058	3.3
71.08633	3.5
73.02907	3.0
79.05486	10.1
81.07040	9.0
83.34076	1.6
85.02899	4.0
90.22575	1.8
91.05489	1.9
91.28427	1.9
92.09341	3.7
93.07023	7.0
94.73012	1.6
95.08568	4.2
97.10205	1.7
105.06969	1.6
107.08575	3.5
109.10152	3.4
117.07014	2.2
133.10162	1.9
135.11655	3.6
143.86284	1.9
160.40379	1.8
439.19260	16.1
497.30746	4.0
529.38519	2.3
695.43298	100.0
696.42749	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	695.325
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
51.06396	0.8
54.94351	0.8
55.05508	3.8
57.03426	5.7
61.02913	5.9
64.32099	0.9
67.05498	13.6
69.03421	3.7
69.07063	1.4
71.04975	1.9
73.02888	4.4
73.46115	0.9
75.38870	0.8
79.05471	6.5
81.02991	0.8
81.03399	9.2
81.07037	9.4
83.04982	4.8
83.08612	2.1
85.02879	9.2
91.03944	4.1
91.05465	8.1
92.09292	2.1
93.07029	6.1
95.04944	3.9
95.08601	2.1
97.02885	5.3
97.06538	1.5
105.07039	4.9
107.04965	1.1
107.08588	3.6
109.06511	1.9
109.10143	7.0
117.07006	1.1
119.08591	4.1
121.10110	1.4
129.06944	1.2
131.08517	1.7
133.10147	1.7
135.11664	1.5
143.63647	0.9
145.04999	1.3
145.10104	1.8
146.51610	1.1
147.11716	4.3
149.09660	1.0
156.02707	1.1
157.10229	1.3
163.11160	1.7
175.11270	1.3
177.75487	1.3
193.12279	2.3
196.88181	0.9
211.13196	1.6
243.08385	1.8
283.15607	1.1
285.16711	1.2
287.18427	1.2
370.88123	1.0
439.26599	1.1
467.18958	6.0
469.20020	8.0
674.74146	1.2
695.32373	100.0
696.33252	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01863	2.9
55.05502	16.8
57.03221	1.3
57.03433	21.9
61.02912	2.2
67.05493	47.5
69.03408	2.5
69.07058	14.8
71.04975	7.7
79.05477	37.0
81.03401	63.4
81.07040	28.9
83.04981	12.5
83.08598	13.9
85.02895	5.6
85.06496	1.3
91.05474	29.1
93.07022	40.4
95.04946	26.9
95.08578	10.8
97.02892	3.0
97.06525	10.2
97.10156	9.1
99.08082	2.0
105.07003	14.7
107.04949	6.4
107.08588	31.6
109.10142	9.6
111.08066	3.4
117.07001	3.6
119.08589	15.2
121.10118	12.6
126.88677	1.5
129.07002	8.8
131.08551	9.1
133.06465	2.0
133.10129	8.3
135.11678	41.1
137.09520	2.9
142.07846	2.1
145.10135	9.6
147.07985	1.9
147.11684	8.1
149.09595	2.6
157.10126	8.8
163.11163	7.3
168.54243	1.5
175.11156	8.4
175.38445	1.5
181.12204	8.2
190.24976	1.7
193.12219	19.5
194.63533	1.5
255.15871	46.9
263.85635	1.8
267.15863	43.1
315.25995	1.6
421.25671	6.7
447.27307	100.0
465.28421	3.0
479.30014	2.3
694.31671	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01868	5.4
55.05510	23.6
57.03424	21.9
61.02907	8.0
61.59684	2.4
64.33222	3.1
67.05148	3.5
67.05491	100.0
67.18651	2.8
69.03407	4.2
69.07041	19.8
71.04970	25.2
78.78312	2.7
79.05465	39.9
80.04980	10.9
81.03398	47.5
81.07038	56.3
83.04963	20.4
83.08586	29.7
85.02896	34.9
85.06521	5.3
85.43666	3.0
85.96574	3.1
87.04434	4.9
91.05456	58.8
93.07027	42.2
95.04955	39.2
95.08578	26.5
97.02840	5.1
97.06496	7.0
97.10132	3.7
105.07023	41.2
106.43835	3.3
107.04957	8.1
107.08583	23.1
109.06496	6.0
109.10149	84.3
111.08050	16.2
113.05955	3.7
117.07018	4.0
119.08569	34.6
121.10108	18.8
124.07563	50.6
125.07880	7.3
129.06998	7.4
130.11386	3.2
131.08551	15.8
133.06483	3.9
133.10129	19.0
135.11661	13.8
137.09592	6.5
141.90326	4.1
145.10106	6.4
147.11664	18.6
149.09631	4.8
157.10095	17.5
163.03833	5.1
165.09114	14.3
165.12759	3.7
173.11725	6.2
175.11127	15.3
193.12187	29.4
211.13263	28.6
267.15872	14.6
285.16937	19.7
287.18607	7.7
421.25803	25.7
439.26880	60.8
447.27475	27.2
453.28613	7.5
461.28165	4.7
465.28354	61.4
479.29614	12.9
497.30978	48.4
510.71371	3.5
695.31439	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	693.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
53.79135	0.7
55.01860	0.9
55.05507	3.6
57.03438	2.1
61.02919	5.4
67.05497	7.2
69.03423	4.1
69.07066	1.8
71.01305	0.8
71.04993	1.1
73.02899	4.3
73.66222	0.7
77.43919	0.8
79.05470	8.9
79.88153	0.9
81.03411	4.9
81.07021	6.0
83.04961	1.4
85.02912	6.7
91.03937	1.7
91.05463	8.3
93.07033	7.2
95.04953	3.7
95.08595	3.3
97.02898	3.2
100.40472	0.7
105.07037	2.0
107.04926	1.1
107.08595	5.0
109.10169	1.1
117.07052	0.9
119.08605	3.4
121.10146	1.2
127.03885	1.4
129.06973	3.4
133.10081	1.6
135.11627	1.1
145.10124	1.5
147.11748	3.4
161.13271	1.1
163.82561	0.9
243.08510	3.8
251.12469	0.9
429.25308	0.9
465.20810	10.7
469.20230	6.5
477.28610	1.2
496.29749	1.2
506.79562	0.9
589.31311	0.9
653.84503	0.8
693.34485	100.0
694.34973	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	693.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83824	2.1
55.01856	1.9
55.05500	8.2
56.36392	1.8
56.77065	2.0
57.03431	4.1
59.31201	2.0
61.02920	4.0
67.05506	16.4
69.03431	2.9
69.07059	3.7
73.02900	4.0
76.37979	1.7
76.44753	1.8
77.00542	1.9
79.05488	12.0
81.00520	2.1
81.03404	10.5
81.07037	18.0
85.02887	9.0
87.00804	2.6
91.03947	2.2
91.05463	10.3
93.07012	13.0
95.04973	3.3
95.08591	12.9
97.02865	8.7
97.06483	2.7
99.04383	2.4
105.07014	10.5
107.04963	4.2
107.08578	4.1
109.10146	10.2
111.04399	3.3
119.08559	2.7
123.08038	2.0
131.08575	3.1
135.11649	3.0
145.10124	4.9
163.11209	4.5
165.09085	22.4
191.10660	2.2
207.91461	2.5
271.02243	2.9
275.85992	2.5
283.15344	2.7
297.73608	2.1
326.90698	2.2
350.89978	2.2
467.18787	11.4
491.26758	2.4
495.28574	2.7
496.29596	4.0
693.30798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05502	3.7
55.41454	0.5
57.03423	2.6
57.07099	0.6
61.02921	7.5
66.85482	0.5
67.05502	9.8
67.74087	0.6
69.03421	3.8
69.07056	2.8
71.05007	0.5
73.02905	5.6
76.97639	0.7
78.80680	0.6
79.05483	5.1
81.03411	2.9
81.07040	7.0
83.08600	1.3
85.02895	7.2
87.04411	0.6
91.03950	4.0
91.05466	4.9
93.07034	5.5
95.08607	3.1
97.02869	6.5
99.04450	1.1
101.02373	2.5
104.84492	0.7
105.07041	3.9
107.08580	2.1
109.02846	0.7
109.10159	5.5
112.27814	0.6
116.60577	0.6
116.61378	0.6
117.07001	1.0
119.08599	1.4
121.10136	1.3
126.70325	0.8
127.03924	1.5
129.07004	0.6
131.08607	1.0
133.10103	1.0
135.11708	0.9
144.80470	0.6
145.10138	1.0
157.10167	0.7
169.10152	0.7
195.09953	0.9
243.08379	1.0
335.25763	0.8
413.17865	6.1
426.25241	0.8
519.29266	8.7
519.36279	1.5
545.12103	0.7
593.45685	1.0
691.40186	100.0
692.40845	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05508	24.3
57.03428	25.3
59.04984	2.2
61.02917	3.8
65.03928	2.1
65.83268	2.4
67.05499	40.7
69.03419	5.4
69.07070	15.0
71.04970	9.1
73.02899	3.1
79.05479	45.4
81.03409	100.0
81.07048	53.4
83.04974	29.9
83.08615	27.4
84.17107	1.8
85.02895	42.2
91.05471	48.8
93.07033	31.9
95.04948	38.1
95.08598	16.2
97.02872	8.4
97.06493	3.9
97.10161	5.1
105.07013	39.4
107.04964	12.0
107.08588	11.4
109.06506	13.1
109.10135	4.6
111.04433	2.9
111.08061	15.3
113.05984	3.7
117.06988	2.7
119.08554	31.3
121.06467	3.1
121.10136	12.6
129.06979	17.1
131.08548	22.9
133.06447	5.2
133.10117	19.1
135.08061	2.3
142.07756	2.7
145.10109	4.8
147.07982	4.9
147.11694	24.8
149.09589	13.1
153.78896	2.3
157.10127	17.3
163.11220	3.0
165.12712	4.8
175.11183	24.2
193.12213	54.9
211.13272	58.1
267.15878	31.0
277.55673	2.2
285.16873	62.6
357.24377	2.5
367.22675	4.1
385.23608	3.6
403.24771	2.6
407.25317	2.2
459.27310	35.7
477.28406	41.8
495.29376	74.4
697.68164	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	691.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
57.03429	3.2
57.07069	2.5
61.02908	5.7
64.33669	1.3
67.05498	16.6
69.03408	5.3
69.07053	3.2
72.51470	1.3
73.02895	5.5
79.05499	9.5
81.03407	1.9
81.07031	10.3
83.08620	1.7
85.02905	5.3
91.03942	5.5
91.05460	5.9
93.07024	7.7
95.04990	2.0
95.08595	7.5
97.02873	6.1
101.02346	1.5
105.07056	9.5
105.07642	1.6
106.07358	2.8
107.08611	1.7
109.10153	12.5
114.70523	1.3
117.07024	1.8
119.08551	2.5
121.10130	2.9
131.08530	1.4
133.10143	2.1
144.82411	1.4
155.10680	1.2
157.26913	1.2
163.11247	1.4
163.54115	1.2
173.11717	1.5
207.44875	1.4
243.08488	2.0
363.29245	1.4
413.17920	8.5
519.29187	5.7
519.36810	5.8
593.45508	3.2
691.40210	100.0
692.40857	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	691.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05497	4.0
56.79748	0.8
57.03426	1.7
59.50243	0.7
59.51339	0.7
61.02912	5.5
61.16471	1.0
64.02801	0.8
66.70343	0.9
67.05481	6.7
69.03405	1.4
69.07063	1.6
71.04975	1.2
72.35758	0.9
73.02904	5.1
79.05470	9.7
79.38537	0.9
81.03411	2.3
81.07040	5.1
83.04954	1.6
83.08585	1.2
85.02895	5.5
91.03935	2.4
91.05472	7.2
93.07018	8.1
95.04948	1.7
95.08610	2.0
97.02906	5.2
99.04453	1.3
105.07021	4.9
107.08590	3.9
109.06564	1.2
119.08565	3.7
121.06456	0.9
123.08087	1.3
129.06978	1.4
133.10130	1.6
135.11705	1.0
145.10130	1.7
147.11656	1.9
161.80930	1.0
163.11186	2.1
171.11760	1.4
243.08298	1.2
263.52213	1.0
378.14056	1.1
465.20978	11.6
467.18829	5.9
560.43109	1.3
691.32819	100.0
692.34473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.81952	1.2
55.01877	12.7
55.05509	11.2
57.03417	7.9
61.02901	4.9
66.55682	1.2
67.05492	27.0
69.03399	2.4
69.07055	23.6
79.05475	22.9
81.03399	16.3
81.06593	2.4
81.07040	44.0
83.04959	2.3
83.08612	3.1
85.02882	5.4
86.73299	1.4
91.05468	29.9
93.07027	24.6
95.01293	9.0
95.04943	11.4
95.08585	21.7
96.07009	1.4
97.06491	15.7
97.10132	1.2
105.07013	42.8
107.04941	16.4
107.08583	15.2
109.06520	2.8
109.10142	7.1
110.66847	1.4
111.04491	1.8
112.84858	1.5
117.06970	9.5
119.08558	22.0
121.06497	2.9
121.10091	8.8
123.08063	2.9
125.09632	1.3
127.03871	1.7
129.06950	1.7
131.08565	13.4
133.10101	21.4
135.08067	1.5
135.11665	9.4
143.08546	2.0
145.06456	2.0
145.10097	14.4
147.08087	1.5
147.11685	9.1
149.09639	6.1
149.13261	2.1
151.11189	1.5
159.11635	6.1
161.13200	2.0
163.11177	5.9
167.17094	1.4
177.12737	2.0
179.14256	6.8
205.12335	1.3
257.18878	1.6
275.19968	24.6
283.15259	2.1
349.23676	100.0
493.27686	3.3
494.28156	1.6
511.28693	2.4
552.54236	1.8
621.14282	1.6
670.30560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1871
Annotation	Acid Green 3
Peak:m/z	Relative Intensity
55.01867	1.7
59.68918	1.1
65.64747	1.3
72.95274	1.1
78.42567	1.1
81.25350	1.5
85.02882	2.8
121.02856	2.4
123.04433	1.5
163.03976	1.4
169.06534	2.1
195.02858	1.8
197.05956	51.0
261.03897	2.7
275.06845	1.9
287.07370	1.6
288.07855	1.5
293.08151	2.6
305.08139	6.3
306.08777	2.9
307.06204	1.6
315.06561	2.0
316.07147	1.8
317.08047	4.8
319.06067	2.7
320.06625	1.8
321.07672	2.8
331.09451	1.4
333.07495	21.3
334.08344	9.3
345.07599	8.8
347.05414	2.8
347.09122	5.7
348.06271	1.6
349.07059	1.8
361.06976	37.9
362.07483	2.1
363.08606	28.4
371.09308	1.6
373.06863	7.3
373.10870	2.8
375.08548	2.4
379.07788	4.3
385.06689	1.6
387.08490	7.4
391.08011	28.3
397.87842	1.5
401.10123	5.1
409.09256	2.9
411.07864	1.6
415.07977	6.2
429.09747	1.6
445.08771	3.0
457.09052	1.7
463.10202	1.7
475.10294	9.3
493.11255	14.7
511.12311	100.0
512.13171	2.4
529.13300	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.1
53.03931	1.2
55.01849	1.2
55.05262	1.0
55.05506	19.7
57.03431	33.0
57.07071	38.9
58.68352	0.6
61.02920	7.2
62.28848	0.7
67.05143	1.8
67.05494	50.2
69.03390	1.4
69.07059	20.0
69.94563	0.7
71.01324	4.8
71.04974	4.9
71.08246	1.2
71.08617	29.0
73.02907	1.4
78.09138	0.7
79.05478	42.7
81.03394	5.0
81.06597	1.4
81.07044	36.4
83.04966	12.2
83.08607	11.3
85.02892	6.4
85.06516	4.4
85.09717	0.8
85.10176	14.1
89.06007	1.0
91.03935	1.9
91.05459	14.7
93.07026	50.3
95.04940	5.8
95.08584	25.4
97.02856	1.6
97.06506	13.3
97.10152	16.1
99.08083	1.0
103.07560	1.5
105.07002	3.2
107.04906	0.9
107.08585	39.7
109.06528	1.0
109.10144	13.9
111.08039	3.2
117.06998	5.5
119.08595	6.0
121.10108	6.2
123.11684	4.2
125.09586	1.2
130.07762	0.9
133.10164	1.4
134.44281	0.7
135.11681	55.0
137.09619	1.2
145.10115	10.3
153.12772	1.4
154.78159	0.7
159.47423	0.9
163.11133	5.4
181.12172	9.9
182.17902	0.8
197.30118	0.9
199.13153	1.6
233.44232	0.8
239.23769	1.9
246.70015	0.8
248.37695	0.8
255.15865	100.0
257.24673	1.2
313.23691	1.8
313.27341	54.2
355.19467	0.9
493.38800	86.9
494.38327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11115	0.8
53.03947	4.4
55.01872	6.1
55.05506	20.5
57.03425	15.6
57.07065	1.3
61.02916	4.3
65.66470	0.8
67.05492	30.8
69.03424	5.2
69.07060	11.2
70.14526	0.8
70.70603	0.8
71.04980	5.7
71.27651	0.8
79.05478	41.3
81.02930	2.0
81.03402	48.1
81.03874	2.0
81.07040	33.6
83.04968	15.5
83.08601	25.8
83.09086	1.2
85.02888	24.4
91.03963	1.1
91.05463	35.1
91.26817	0.9
92.08642	2.3
93.07030	54.0
95.04948	28.2
95.08587	39.4
97.02866	10.0
97.06509	9.2
97.10152	4.0
99.04440	4.4
105.07015	26.0
107.04951	13.7
107.08575	34.3
107.09290	1.4
109.06516	8.3
109.10152	6.7
111.04424	4.5
111.08073	7.5
113.06009	1.9
115.05447	1.3
115.34126	1.1
116.10741	1.3
117.06997	11.7
117.19697	1.1
119.08564	29.8
121.06448	7.4
121.10126	22.0
123.08065	4.4
123.11643	1.5
125.05962	2.3
125.09610	1.4
129.06981	11.1
131.08562	11.3
133.06447	1.2
133.10107	13.6
135.08018	4.6
135.11673	53.0
135.12674	1.8
135.56349	1.0
137.02310	4.7
137.09625	1.2
139.07535	1.1
142.07782	1.2
145.10092	27.7
147.08080	4.1
147.11696	10.8
149.09637	6.2
157.10121	10.8
163.03873	2.4
163.11150	56.2
165.12746	3.6
173.09583	1.2
175.11127	11.9
181.12222	8.8
193.12202	27.1
211.13258	26.1
227.12744	47.5
267.15869	23.2
283.15338	44.3
283.18335	1.9
285.16928	41.8
475.26840	28.7
493.27893	100.0
503.55045	1.2
632.86523	1.0
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
50.68900	0.8
51.58124	0.8
53.03938	3.6
55.01868	11.4
55.05263	1.5
55.05508	29.5
57.03433	20.9
57.07078	1.3
59.04982	3.6
60.40485	0.7
61.02923	7.0
61.15027	0.8
64.67270	0.7
65.03930	1.3
67.05495	32.3
69.03425	5.5
69.07074	9.8
71.01346	1.0
71.04980	6.3
73.02904	1.7
78.55006	0.8
79.05479	38.1
81.03406	72.4
81.07044	38.0
81.07529	1.2
83.01352	8.3
83.04971	25.1
83.08610	30.7
85.02900	29.6
85.06546	1.9
91.03938	3.2
91.05467	35.9
92.27451	0.7
93.07029	39.9
93.95926	0.8
95.04953	27.1
95.08588	16.8
97.02876	7.4
97.06518	8.7
97.10144	4.7
99.04440	3.2
99.08083	1.0
105.07018	28.4
107.04948	14.7
107.08580	14.7
109.06525	10.5
109.10148	4.8
111.04424	3.5
111.08063	10.2
113.05982	1.5
113.10326	0.8
113.16496	0.9
117.07010	9.2
119.08578	24.8
121.06496	4.6
121.10121	13.1
123.08038	9.5
125.05969	1.2
125.09665	1.1
129.07004	10.7
130.07846	0.9
131.08537	11.0
133.06467	3.3
133.10106	12.4
135.08055	1.0
135.11678	9.7
137.09598	3.5
142.07704	1.3
143.08638	0.9
145.06447	1.4
145.10121	16.8
147.08023	4.9
147.11699	12.9
149.09650	5.4
153.12762	2.0
155.08507	1.0
157.10112	15.3
159.72943	0.9
163.11154	20.4
165.12762	1.7
173.09663	3.1
175.11147	12.3
181.12212	1.3
191.10646	1.7
193.12234	31.6
209.11649	2.0
211.13272	37.3
213.08981	0.9
227.12715	1.6
265.14301	1.4
267.15897	10.7
283.15366	46.9
285.16916	31.7
383.21991	1.2
475.27011	16.4
493.27911	100.0
494.28122	1.4
513.71265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05499	3.1
57.03424	2.9
59.58708	0.8
61.02914	5.5
67.05505	10.1
69.03420	3.2
69.07064	1.3
71.04954	0.8
73.02886	3.5
75.73538	0.8
79.05480	10.2
81.03394	1.9
81.07033	7.7
83.01346	1.0
83.04948	1.2
85.02882	6.5
91.03932	3.8
91.05453	7.9
93.07025	8.4
95.04954	3.7
95.08586	5.6
97.02892	5.3
99.04469	0.9
101.02402	1.0
103.03905	0.8
105.07023	4.0
105.38212	0.7
107.08563	1.5
109.10172	1.0
117.07061	1.0
119.08582	4.1
129.06978	1.5
133.03419	0.9
133.10124	1.0
143.08505	1.2
145.10112	0.7
147.11694	3.2
150.37259	0.7
161.13303	0.9
171.11690	1.2
179.17342	0.8
187.04417	0.8
189.12805	0.9
201.02493	0.7
242.95132	0.7
243.08507	1.1
247.13187	3.2
295.38156	1.0
301.20224	1.7
302.20282	1.2
303.15439	1.1
350.67590	1.0
465.20831	20.3
526.80737	1.4
689.34912	100.0
690.35474	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01860	6.0
55.05509	42.0
55.92397	3.7
57.03424	23.7
57.07069	9.9
61.02925	6.7
67.05495	71.1
69.03416	29.5
69.07049	27.2
71.04980	6.4
73.02898	7.3
75.75195	3.9
79.05473	82.1
81.03395	59.5
81.07040	71.6
83.04973	26.8
83.08596	8.9
85.02885	10.8
86.66148	3.9
89.06033	9.3
91.05453	72.4
93.07026	56.2
95.04958	24.2
95.08589	46.7
97.02869	26.6
97.06490	7.8
105.07008	73.4
107.08573	44.3
109.02883	4.5
109.06487	5.9
109.10124	10.7
111.08106	6.7
117.07016	28.8
119.08581	44.3
121.10136	20.0
123.08090	6.0
123.11670	5.1
128.06244	6.7
129.06967	31.8
131.08572	50.1
133.10107	35.2
135.07950	4.1
135.11656	10.1
141.06947	15.7
143.08543	31.3
145.10127	40.0
147.08043	7.8
147.11673	27.9
149.13231	8.5
155.08556	20.0
157.10123	22.5
159.11674	28.2
167.08554	5.7
169.10078	24.8
171.11670	32.2
173.13251	16.9
181.10039	7.8
183.11664	20.4
185.13258	10.2
195.11708	9.4
197.13223	8.3
199.14944	4.6
209.13246	8.5
211.14801	7.9
259.20517	5.4
333.24155	6.6
435.32471	7.1
527.37250	100.0
529.38361	6.5
635.39319	7.3
653.40125	17.1
671.40778	19.8
689.42230	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88781	2.2
52.05505	1.9
53.03943	3.2
53.77965	2.1
55.05503	17.3
57.03429	17.0
57.07065	3.8
61.02919	5.5
63.93261	2.0
67.05493	57.0
69.07056	31.7
71.04982	19.1
79.05476	100.0
81.03406	16.4
81.07041	55.4
83.04979	18.0
85.02894	3.1
89.06040	3.4
91.05482	13.0
93.07032	33.7
95.04951	28.1
95.08587	32.3
97.06513	48.1
99.04441	4.0
102.77809	2.3
105.07002	19.5
107.04948	18.3
107.08601	15.7
109.10159	11.2
111.08062	2.3
117.07052	4.2
119.08567	9.0
121.10133	14.5
125.05978	27.3
131.08539	4.7
133.10123	4.2
135.11696	4.9
143.07051	10.6
145.10118	5.8
149.13272	4.5
155.07100	3.1
184.07324	2.4
195.35402	2.5
199.09677	4.7
231.12346	11.5
258.91348	2.8
335.25732	72.2
433.29431	25.5
459.30966	15.0
491.33917	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	688.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17945	1.0
53.03934	7.7
54.69942	1.1
55.01849	6.1
55.05503	28.3
56.96553	1.9
57.03429	22.2
59.46332	1.0
61.02904	1.7
65.03905	2.5
67.05492	59.0
69.03407	7.7
69.07056	16.6
71.04976	6.9
76.56619	1.1
79.05473	85.9
81.03397	77.8
81.07036	58.5
83.04967	26.9
83.08607	25.7
85.02891	31.1
85.06516	5.6
91.05462	87.5
93.07020	77.1
95.04941	44.1
95.08583	35.6
96.80708	1.2
97.02229	1.5
97.02862	6.5
97.06500	8.9
97.10129	7.3
105.04476	2.2
105.07014	63.5
107.04941	15.1
107.08575	23.2
109.06519	9.6
109.10142	7.6
111.04459	1.8
111.08080	9.5
113.05979	1.9
114.37702	1.6
115.05459	1.8
115.40311	1.2
117.06963	9.9
119.08563	46.5
121.06503	2.3
121.10117	11.7
123.08072	7.1
123.11708	1.6
127.07500	2.1
128.06212	2.2
129.06979	33.0
131.08537	17.1
133.06467	2.1
133.10097	20.0
135.08025	1.6
135.11652	2.2
137.09602	1.6
142.07756	2.1
143.08513	8.7
145.10088	8.9
147.08020	5.7
147.11668	48.8
149.09605	9.1
151.11159	1.3
157.10100	17.8
159.05698	1.4
161.09555	2.1
161.13229	8.0
163.11078	1.4
171.11650	18.2
175.11137	14.9
189.12743	2.8
193.12230	38.9
207.13785	11.8
211.13225	27.2
267.08832	1.6
267.15881	28.2
273.09702	1.7
281.17419	46.0
285.10104	2.0
285.16873	30.9
349.81412	1.4
363.14606	2.6
381.15506	2.1
458.95978	1.6
467.05484	1.3
473.28873	100.0
491.29950	81.1
491.35559	1.5
492.29645	2.1
646.63684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01698	0.5
53.03926	1.2
54.79560	0.6
55.01871	9.8
55.05269	0.9
55.05506	17.4
56.06265	0.5
57.03428	15.0
57.07054	0.8
57.26646	0.6
59.04974	3.0
61.02922	6.1
64.33614	0.5
64.90285	0.5
67.05493	11.0
69.03400	2.5
69.07051	4.8
71.01326	1.3
71.04966	3.8
73.02891	1.3
79.05476	24.1
81.03397	11.8
81.06595	1.2
81.07036	20.8
83.01326	12.2
83.04967	15.4
83.08602	16.0
85.02891	9.0
85.06522	1.3
87.52533	0.6
91.03937	1.0
91.05463	16.1
93.07024	31.5
95.04954	10.1
95.08595	9.7
97.02870	4.9
97.06501	5.9
97.10138	1.5
99.04414	3.0
99.33877	0.6
105.07020	11.6
107.04948	8.5
107.08577	14.3
109.06494	9.4
109.10119	2.7
111.04411	2.9
111.08035	3.2
117.07015	8.1
119.08560	13.2
121.06467	3.6
121.10131	9.2
123.08041	10.9
125.05958	3.8
125.09548	0.8
126.69559	0.7
129.06973	2.6
130.07759	2.5
131.08577	5.4
133.10101	1.4
135.08073	2.1
135.11679	13.4
137.09618	1.1
143.08533	0.8
145.10106	20.1
147.08023	2.5
153.12712	3.4
155.08504	2.5
163.11147	31.1
173.09601	4.0
181.12199	3.4
191.10571	3.3
209.11688	7.1
227.12714	3.1
283.15341	100.0
284.15640	0.9
491.26273	53.8
711.15631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01863	7.7
55.05505	43.8
57.03431	32.3
58.80726	2.8
61.02914	6.4
67.05500	72.7
69.03410	4.0
69.07054	27.9
71.04984	4.9
73.02922	3.7
79.05479	84.7
81.03403	100.0
81.07040	77.8
81.21638	3.3
83.04966	30.8
83.08614	31.4
83.09036	2.9
85.02898	31.7
85.43606	3.1
91.05465	97.5
91.12144	3.2
93.07025	71.9
95.04948	51.9
95.08605	26.3
97.02872	16.3
97.06533	8.0
97.10161	8.1
98.29179	3.3
99.00822	7.7
105.07031	80.3
107.04928	20.2
107.08553	24.4
109.02885	7.4
109.06517	7.4
109.10156	8.0
111.08054	13.0
117.06999	8.4
119.08580	50.6
121.06514	13.3
121.10130	13.9
127.03943	6.2
127.07470	3.7
129.06990	29.1
131.08559	20.4
132.02612	3.2
133.06494	5.4
133.10097	57.6
135.11693	3.8
142.07813	4.6
143.08527	5.8
145.10107	8.0
147.08087	5.0
147.11716	36.2
149.02252	3.8
149.09656	7.2
151.11198	14.0
157.10118	21.6
161.09602	20.8
161.13310	6.9
163.11224	5.6
171.11667	20.1
175.11183	18.6
179.10635	5.2
189.09114	5.5
189.12735	5.4
193.12219	35.3
201.88254	3.2
207.13802	7.8
211.13321	13.5
267.15912	49.0
281.14227	5.5
281.17322	46.3
285.16928	6.4
299.14789	34.3
367.23953	3.7
473.29214	44.7
491.26398	55.2
509.27441	39.0
537.91272	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	686.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83842	2.6
52.52016	2.4
52.54630	2.6
54.81761	2.6
55.05495	6.9
57.07068	41.1
58.64824	2.8
69.07048	6.5
71.08621	32.6
73.06516	4.3
81.07044	4.3
85.10154	19.3
87.04443	4.4
89.06008	100.0
93.07024	3.8
97.10159	5.3
107.06982	3.1
117.09071	3.1
119.60386	3.5
133.08563	27.9
139.98094	2.6
173.58514	3.8
177.11160	15.3
221.13570	3.0
236.14845	12.3
299.29459	3.9
307.38284	3.2
383.37451	3.1
571.48297	4.2
645.23944	3.6
669.50903	7.2
686.52448	12.5
689.16522	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
69.03424	11.3
71.04975	1.6
80.05038	1.7
81.07037	3.8
85.02898	2.2
86.22794	1.7
91.05427	3.5
93.07065	3.2
94.06571	3.2
109.06484	1.9
111.66026	2.0
115.03952	2.8
119.08569	4.2
120.25508	1.8
121.06454	3.4
121.10052	2.1
122.06032	9.8
124.07542	2.9
125.06041	6.1
126.09145	8.5
129.07069	2.5
129.58041	1.6
136.07553	8.9
137.02356	2.6
137.05986	10.6
147.08070	8.0
148.07632	2.0
149.09654	4.2
152.07106	1.8
161.05986	3.0
163.03920	2.0
164.07051	8.2
180.10188	3.4
207.10213	2.3
208.09746	4.2
209.11668	2.3
215.11852	2.9
217.09734	27.2
225.11217	2.5
241.09776	3.9
243.11322	16.3
245.09358	2.4
260.11450	2.1
261.95932	1.7
267.11230	1.7
270.13242	2.4
277.11938	2.9
336.17047	3.4
338.14893	12.1
356.15973	15.2
362.15128	2.4
364.16388	13.6
380.16403	2.9
382.17526	34.3
400.18546	29.5
406.17499	9.1
408.15533	2.5
422.20374	2.4
424.18417	2.2
469.20877	3.2
588.27460	2.3
606.27863	2.5
625.28491	13.6
651.29724	3.1
669.31201	100.0
670.30121	9.9
687.31854	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
53.03940	1.0
54.82035	0.7
55.05508	14.6
57.03433	16.5
57.07060	1.8
58.06591	1.0
59.04984	3.7
61.02915	4.8
65.03945	1.0
67.05499	100.0
69.03405	1.1
69.07058	10.2
71.04984	2.6
71.08611	0.9
73.02906	1.1
76.45300	0.7
79.05043	1.3
79.05479	22.3
81.07043	35.3
83.08615	8.1
85.02897	4.2
85.06514	2.8
91.03916	0.9
91.05463	11.0
92.09358	1.4
93.07025	25.1
95.04961	1.5
95.08598	23.2
97.02885	1.5
97.06512	1.5
97.10191	1.3
105.07029	6.6
107.08591	15.5
109.10146	71.5
111.08080	1.7
117.07001	4.3
119.08574	9.8
121.10138	10.6
123.08037	0.7
123.11694	1.7
131.08524	5.3
133.10127	3.6
135.11670	5.4
137.09616	3.3
145.10129	4.4
147.11699	3.1
149.13287	3.3
155.10681	3.3
159.11707	4.4
161.13191	1.0
163.14792	1.7
173.11728	16.2
173.13283	3.8
187.14842	0.8
201.12544	0.7
227.12666	3.9
229.14326	51.5
236.14841	1.3
243.20993	1.4
261.22018	7.5
263.14865	0.8
317.24924	1.2
335.25793	44.8
352.50192	0.8
436.52179	0.9
489.35663	31.2
507.36429	1.4
686.46625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05502	1.2
57.03421	5.3
57.07066	5.8
58.06304	1.4
58.06592	33.8
58.06876	1.2
59.05014	0.8
59.07368	12.8
60.08155	8.2
62.65955	0.7
67.05493	5.4
67.05804	0.6
69.07051	1.2
71.04989	1.6
71.08618	3.2
73.02895	0.6
75.04475	3.0
78.29803	0.6
79.05486	1.2
81.07056	2.5
83.04986	0.7
83.08615	0.6
84.08126	0.7
85.02914	2.6
85.10194	1.2
87.04438	5.3
91.05482	1.2
93.07034	1.4
95.08613	2.4
105.05503	1.1
107.08587	0.6
109.10166	3.1
119.08562	0.9
131.07056	0.6
144.10184	16.9
162.11214	6.1
167.35916	0.8
178.77490	0.8
218.14087	0.8
236.14893	100.0
308.01678	0.7
313.27414	1.3
398.25583	3.2
404.26440	0.8
406.46048	0.6
412.37967	1.5
416.26291	6.7
430.28076	2.9
448.29138	3.5
456.36761	12.5
474.37830	20.8
642.48804	1.1
654.49323	13.4
686.51996	79.2
687.52313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66552	0.4
53.00302	0.9
53.03936	1.1
55.01874	0.7
55.05262	0.8
55.05507	13.0
57.03173	0.8
57.03430	14.9
57.03695	0.9
57.07072	3.3
59.04992	4.3
59.39925	0.4
61.02916	5.3
65.03931	1.9
67.05496	100.0
69.03424	1.9
69.07051	9.7
71.04978	3.2
73.02906	0.7
79.05475	20.8
81.03423	0.8
81.07041	38.0
83.04973	1.2
83.08604	9.2
84.66589	0.5
85.02892	5.3
85.06529	3.0
91.03952	1.0
91.05462	14.9
92.08669	1.9
92.64115	0.4
93.07026	28.9
95.04964	2.7
95.08587	26.1
97.02885	2.5
97.06537	2.2
97.10156	2.1
99.08082	0.8
105.07015	7.8
107.08586	12.9
109.06512	0.9
109.10145	69.8
109.23058	0.5
111.08082	2.2
117.07023	2.9
119.08561	9.5
121.10130	10.5
123.11729	2.3
125.09656	0.9
129.06966	0.8
131.08536	4.8
133.10117	5.5
135.11685	7.4
137.09660	3.0
137.13216	0.6
143.08603	0.6
145.10121	4.7
147.11732	2.9
149.13257	4.0
155.10680	2.8
158.54668	0.5
159.11671	3.3
161.13243	2.2
163.14885	2.6
165.33661	0.4
173.11766	11.7
173.13266	2.9
175.14870	0.5
187.14908	0.6
218.76540	0.5
227.12801	2.7
229.14317	45.0
236.14964	0.8
243.21143	3.0
261.22131	9.4
317.24728	1.1
335.25754	41.0
336.26184	0.5
471.34802	0.6
489.35654	39.6
490.35995	0.6
507.36993	2.3
686.48706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.1
57.07074	1.9
58.06578	2.1
59.89536	1.1
60.08170	8.4
67.05486	4.3
69.74198	1.0
71.07349	4.4
81.07047	2.2
82.51233	1.1
86.09692	50.0
98.98440	1.9
104.10738	5.2
124.99984	32.9
136.01215	1.0
144.10086	1.4
155.96056	1.0
166.88434	1.1
178.79477	1.2
181.83713	1.0
184.07310	100.0
197.03973	1.2
197.18640	1.3
198.31744	1.0
236.14900	6.9
237.15189	1.3
252.48891	1.4
326.27600	1.2
411.32138	1.1
413.28897	1.1
467.36993	1.9
472.20374	1.3
622.49774	1.2
685.50183	2.0
686.42841	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01873	7.2
55.05508	18.8
57.03432	10.6
57.07064	0.7
59.04982	1.2
61.02918	1.3
62.28333	0.5
65.03935	0.9
67.05496	34.8
69.03410	1.0
69.07059	8.6
71.01366	0.5
71.04982	3.8
73.02880	0.7
73.06535	1.0
79.05479	55.4
81.03409	13.5
81.07041	34.0
81.07533	0.8
83.01336	5.2
83.04520	0.9
83.04970	16.5
83.08614	9.8
85.02890	4.3
85.06557	1.7
91.05465	42.0
93.07027	61.2
95.04949	19.3
95.05517	1.0
95.08591	21.3
97.02877	3.1
97.06523	4.5
97.10152	2.7
99.08060	0.8
105.04525	1.0
105.07014	29.7
107.04944	9.5
107.08579	16.6
109.06506	9.1
109.10152	2.5
111.04426	1.0
111.08041	0.8
117.07001	10.2
119.08569	22.2
121.06496	3.4
121.10117	8.5
123.08047	7.5
125.05957	1.0
125.09612	1.0
127.03903	0.6
128.06221	1.1
129.06979	11.4
130.02509	0.5
131.08546	3.9
133.10109	8.5
135.08051	1.1
135.11673	8.1
137.09637	1.0
143.08525	4.9
145.06464	0.7
145.10115	18.3
147.08038	3.3
147.11676	22.1
153.12700	1.1
156.09329	0.7
159.29927	0.6
161.09599	2.3
161.13225	6.2
163.11169	15.1
171.11653	16.4
173.09630	2.5
179.14233	0.7
181.12238	2.2
189.12694	3.3
191.10695	1.3
195.89590	0.5
202.70386	0.5
207.13777	12.9
209.11732	1.2
227.12852	0.8
265.14398	1.0
266.37393	0.5
281.17429	36.9
283.15372	26.3
336.73621	0.5
471.27417	6.3
489.28397	100.0
490.28860	2.2
623.11523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32807	4.5
53.03947	7.8
55.01862	18.1
55.05499	23.8
55.81479	4.4
57.03428	55.7
61.02912	6.5
67.05495	90.3
69.03424	4.3
69.07056	20.3
71.04976	4.5
73.02883	4.2
79.05058	5.7
79.05479	100.0
81.03408	51.2
81.07031	51.4
83.04961	30.4
85.02886	82.8
91.05466	79.5
93.07028	95.1
95.04946	29.1
95.08593	20.8
97.02870	5.7
97.06498	22.8
97.10133	8.7
99.08088	5.4
105.07010	86.3
107.04923	38.3
107.08588	54.4
109.06506	11.1
109.10117	8.7
115.05455	16.1
115.51882	5.0
117.07023	31.9
119.08562	24.1
121.06496	8.3
121.10126	22.3
129.06961	41.6
131.08556	20.7
133.06458	61.2
133.10104	18.4
135.08055	9.9
135.11687	65.7
143.08549	18.0
145.10130	20.6
147.11673	6.0
149.09593	5.3
155.08505	10.9
157.10141	27.5
163.11293	4.8
166.07738	5.8
171.11653	31.2
173.09572	6.5
175.11107	5.2
179.08485	4.4
181.10046	9.7
186.07990	5.0
189.12747	5.8
199.11160	23.9
217.12279	42.8
255.15875	99.0
291.15991	6.5
309.16846	21.4
371.29688	4.7
471.27420	51.0
489.28394	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	684.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.4
57.03431	20.7
57.07068	92.2
67.05489	41.6
69.07063	26.9
71.08617	62.5
76.56455	5.8
79.05475	53.3
79.05881	5.5
80.35353	5.0
81.07015	41.8
83.08632	10.4
85.10179	23.7
91.05457	52.2
93.07043	32.9
95.08574	41.1
97.10156	8.7
105.07046	34.1
107.08550	7.4
109.10164	9.7
113.27809	5.8
115.05478	5.5
117.06994	57.7
119.08559	6.2
121.06563	5.7
129.07018	23.3
131.08549	37.6
135.08055	8.8
141.06993	10.1
143.08661	5.7
144.47336	5.2
145.10144	8.6
150.31812	5.0
155.08540	7.2
157.10129	9.4
159.11531	7.3
173.13220	6.4
224.02570	4.8
227.22665	5.6
251.12801	5.2
293.17499	23.9
301.21661	6.4
306.81049	7.0
313.27332	100.0
320.48465	5.7
461.09903	5.0
502.05829	6.0
531.40057	38.5
613.48022	9.9
702.53394	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	684.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73772	0.3
53.66989	0.3
55.05479	0.7
55.11388	0.4
57.03431	6.3
57.07070	6.3
58.06591	36.3
58.60433	0.4
59.07370	13.1
60.08153	12.5
60.43305	0.4
67.05495	3.2
67.86414	0.4
67.95967	0.4
69.07037	0.6
71.08573	2.4
71.08917	0.5
73.02890	0.4
73.20467	0.4
75.04467	3.9
79.05439	1.9
81.03362	1.9
81.07040	3.2
83.04897	0.4
83.08558	1.6
84.08102	1.8
85.02895	4.3
85.10136	1.0
87.04457	4.2
91.05450	1.6
93.07018	0.9
95.04938	0.5
95.08595	3.0
97.10117	0.5
101.15858	0.4
102.05492	0.7
102.32006	0.4
103.03878	0.6
105.05444	0.9
105.06992	0.9
109.10145	0.6
113.06025	0.8
119.08537	0.4
131.07008	2.2
131.08510	0.7
144.10187	17.0
159.06535	0.5
159.42291	0.4
162.11209	6.5
218.13893	0.6
219.85991	0.5
236.14886	100.0
288.28677	0.4
292.18414	0.4
313.27606	0.7
410.25620	1.7
412.37631	0.6
428.26233	6.1
442.32602	0.5
446.27396	5.5
456.36780	9.2
474.37820	16.0
666.49268	10.5
684.50354	80.9
685.50195	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	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01858	1.5
55.05507	14.5
57.03437	6.7
60.38929	0.7
61.02896	1.0
67.05494	36.9
69.07063	7.5
73.06541	1.0
79.05476	59.3
81.03399	7.2
81.07039	35.5
83.04964	12.0
83.08607	4.4
85.02901	1.2
85.06571	1.4
91.05463	51.1
92.80717	0.8
93.07021	59.2
95.04957	17.3
95.08585	18.4
96.71233	0.8
97.02879	1.1
97.06510	3.8
97.10106	1.6
105.04481	0.9
105.07011	34.2
107.04956	5.2
107.08578	12.9
109.06506	5.8
109.10125	1.6
115.05415	1.1
117.06981	8.2
119.08557	20.6
119.09385	1.1
121.06458	1.6
121.10143	3.8
123.08041	4.5
128.06192	1.0
129.06978	15.7
131.08559	2.0
133.10136	8.7
135.11673	1.6
143.08540	8.5
145.10069	8.7
147.08046	4.1
147.11673	33.3
161.09587	2.0
161.13274	7.4
163.11169	1.3
171.11642	19.0
174.71194	0.9
189.12772	7.8
207.13759	12.2
221.57880	0.8
225.14987	0.9
281.17422	40.0
336.47229	1.2
469.28894	1.6
487.30487	100.0
488.30618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00342	0.1
53.03931	0.9
55.01861	1.3
57.03422	0.4
61.02938	0.1
68.92237	0.1
69.03416	6.5
71.04966	0.7
73.02901	1.3
79.05473	0.2
79.82063	0.1
81.03400	6.4
85.02883	1.6
86.84959	0.2
86.85455	0.2
89.03893	3.4
97.02870	4.7
99.04434	8.0
101.02338	0.8
107.04962	1.3
109.01589	0.2
109.02864	5.7
109.03600	0.3
109.18102	0.2
114.74032	0.2
117.03360	5.2
118.31422	0.2
127.03888	10.3
135.04388	16.5
145.02831	14.1
145.04701	0.2
159.28381	0.2
163.03874	100.0
164.04227	0.3
181.04922	1.3
212.51256	0.2
235.06079	0.4
307.08075	2.9
325.09122	26.0
326.09323	0.2
345.55759	0.2
352.82672	0.2
473.04385	0.2
480.27939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01856	5.4
55.05507	22.1
57.03434	4.1
67.05496	34.7
69.03416	4.0
69.07047	16.5
71.04963	3.2
79.05482	51.1
81.03393	13.9
81.07040	100.0
83.04953	5.2
83.08618	3.1
84.20432	2.8
85.06522	3.1
91.05450	34.0
92.08707	7.9
93.07024	37.3
95.04939	22.3
95.08602	22.2
97.06522	10.9
97.10114	2.8
105.07016	37.9
107.04932	19.3
107.08602	28.6
109.06503	28.8
109.10148	17.1
111.08085	4.8
117.07000	19.9
119.08541	37.3
121.06481	13.7
121.10133	25.2
123.08059	27.0
125.09621	5.0
128.06152	3.5
129.06973	11.6
131.08568	19.9
133.02911	2.7
133.06453	3.2
133.10100	18.3
135.04379	4.9
135.08023	5.0
135.11632	11.8
137.09615	3.4
143.08531	5.6
145.02846	6.0
145.06485	4.5
145.10144	20.0
147.04375	3.2
147.08044	11.4
147.11690	13.7
149.09589	14.1
157.10208	5.6
159.04356	4.5
159.07910	3.8
159.11673	5.5
159.40996	2.8
161.02324	11.4
161.09584	11.2
161.13206	2.8
163.03865	55.0
163.11194	5.3
173.02348	26.8
173.05994	5.0
173.09550	4.6
175.03894	3.1
175.23860	2.9
177.12454	3.4
185.06027	3.9
185.09531	3.4
187.03909	25.7
189.12737	3.3
191.10709	4.5
193.12157	4.5
197.13109	2.7
199.03827	26.4
213.05479	30.1
249.14732	3.3
270.67188	3.1
273.18433	24.1
284.73553	3.1
291.19482	57.1
292.20068	4.3
311.12509	3.7
315.12421	5.1
325.14383	4.9
355.15326	6.0
356.15601	4.9
357.15878	3.2
391.22226	3.6
409.03540	2.9
417.20709	14.5
431.85455	3.3
433.52371	3.5
435.21619	54.3
453.22662	66.9
471.23816	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	683.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
57.03431	1.9
57.59303	1.6
67.05498	3.5
67.57085	1.3
69.03415	5.9
76.20682	1.4
79.05476	2.7
81.07027	2.0
85.02908	2.3
91.05473	3.0
92.08663	3.6
93.07025	2.0
94.06561	1.6
95.08618	1.5
101.26321	1.4
107.08569	2.9
109.06556	1.8
119.08569	2.9
121.06483	2.2
121.10126	2.7
122.05986	5.5
123.08041	1.7
124.07611	6.3
125.06010	3.4
126.09169	7.7
136.07582	2.4
137.09619	2.3
144.75180	1.5
147.08041	6.8
149.09641	5.7
152.07103	2.4
161.05833	1.4
162.07867	6.5
173.05928	1.8
175.08685	3.5
185.25905	1.5
187.08698	2.3
189.10294	6.5
197.05855	2.0
199.08786	2.2
201.10233	2.5
209.11615	2.0
211.07510	2.0
213.05492	11.7
214.05783	7.1
215.11877	3.7
217.09714	22.3
219.24445	1.6
225.11275	2.4
227.06908	1.9
239.11931	1.8
241.09718	7.2
243.11278	15.7
249.12415	2.7
257.12796	2.6
261.12381	2.0
275.14014	1.9
296.13956	3.5
308.14261	2.5
310.15509	5.5
319.13617	1.8
320.13937	2.8
336.17096	2.3
337.14630	3.3
338.14792	20.6
340.19876	1.9
355.15314	10.4
356.15732	13.4
362.14853	2.6
363.17181	1.7
364.16531	16.2
370.17569	23.8
382.17532	19.1
394.17810	3.7
396.19168	12.3
414.20203	36.4
438.20309	2.4
454.22028	1.7
512.24902	1.7
554.67853	1.7
576.27148	2.1
620.28223	1.8
637.28638	6.0
638.29120	15.2
639.30408	7.9
650.92291	1.8
665.31757	5.6
683.32758	100.0
684.32831	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	682.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.03428	4.6
57.07072	5.5
57.84535	0.6
58.06592	36.8
59.07373	10.0
60.08148	8.6
60.35153	0.6
63.27733	0.6
67.05499	3.4
69.07060	0.9
69.50797	0.7
69.60470	0.6
71.08617	4.5
74.96030	0.6
75.04462	1.4
76.61203	0.6
79.05477	1.3
81.07056	4.4
83.04984	0.9
83.08622	0.9
84.08143	0.9
85.02902	2.9
85.42013	0.8
87.04475	3.9
91.05466	0.8
92.09396	2.3
92.64226	0.8
93.07038	3.2
95.04968	1.6
95.08590	5.1
99.04473	0.7
102.05513	0.8
105.07024	1.1
107.04978	1.6
107.08601	4.0
109.10146	1.0
121.10138	0.8
127.81119	0.6
130.08630	0.9
131.07076	0.9
135.11707	1.7
144.10201	15.2
145.10094	1.7
153.37155	0.8
162.11302	5.1
163.11230	3.0
187.15265	0.7
218.13853	1.4
236.14888	94.3
278.78958	0.7
324.50085	0.9
348.01895	0.8
385.33957	0.8
412.37567	1.3
426.24924	4.6
444.25992	10.3
456.36859	6.8
474.37793	14.8
489.30112	0.8
593.83191	0.8
682.48816	100.0
683.49719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
57.03431	1.9
57.59303	1.6
67.05498	3.5
67.57085	1.3
69.03415	5.9
76.20682	1.4
79.05476	2.7
81.07027	2.0
85.02908	2.3
91.05473	3.0
92.08663	3.6
93.07025	2.0
94.06561	1.6
95.08618	1.5
101.26321	1.4
107.08569	2.9
109.06556	1.8
119.08569	2.9
121.06483	2.2
121.10126	2.7
122.05986	5.5
123.08041	1.7
124.07611	6.3
125.06010	3.4
126.09169	7.7
136.07582	2.4
137.09619	2.3
144.75180	1.5
147.08041	6.8
149.09641	5.7
152.07103	2.4
161.05833	1.4
162.07867	6.5
173.05928	1.8
175.08685	3.5
185.25905	1.5
187.08698	2.3
189.10294	6.5
197.05855	2.0
199.08786	2.2
201.10233	2.5
209.11615	2.0
211.07510	2.0
213.05492	11.7
214.05783	7.1
215.11877	3.7
217.09714	22.3
219.24445	1.6
225.11275	2.4
227.06908	1.9
239.11931	1.8
241.09718	7.2
243.11278	15.7
249.12415	2.7
257.12796	2.6
261.12381	2.0
275.14014	1.9
296.13956	3.5
308.14261	2.5
310.15509	5.5
319.13617	1.8
320.13937	2.8
336.17096	2.3
337.14630	3.3
338.14792	20.6
340.19876	1.9
355.15314	10.4
356.15732	13.4
362.14853	2.6
363.17181	1.7
364.16531	16.2
370.17569	23.8
382.17532	19.1
394.17810	3.7
396.19168	12.3
414.20203	36.4
438.20309	2.4
454.22028	1.7
512.24902	1.7
554.67853	1.7
576.27148	2.1
620.28223	1.8
637.28638	6.0
638.29120	15.2
639.30408	7.9
650.92291	1.8
665.31757	5.6
683.32758	100.0
684.32831	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	682.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05503	1.8
55.07969	0.7
57.03424	6.2
57.07075	6.2
58.06591	33.0
59.07365	11.5
59.78592	0.8
60.08154	11.4
61.02388	0.8
63.48883	0.7
67.05181	0.7
67.05499	5.3
69.07062	1.1
71.08626	2.0
75.04462	1.6
79.05453	2.8
81.03397	1.4
81.07056	4.1
83.08604	1.5
85.02903	1.1
85.10180	1.9
87.04455	5.0
91.05482	1.3
93.07046	4.0
95.04955	1.1
95.08594	4.7
97.10195	1.1
101.82893	0.9
105.06957	0.8
109.10145	0.9
121.91391	0.8
133.76567	0.9
134.26297	0.9
144.10190	13.7
162.11270	4.6
215.84326	0.9
236.14883	100.0
308.91367	1.0
426.24817	5.4
444.25677	7.2
448.35406	1.3
456.36621	6.4
474.37772	14.8
664.47870	1.1
682.48810	92.5
683.48663	1.0
689.12360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.01863	4.3
55.05503	17.6
57.03432	10.8
57.07065	4.9
59.84203	3.3
65.03944	5.3
67.05495	85.8
69.07061	25.3
79.05479	100.0
81.07042	62.9
83.08607	5.6
85.10159	4.8
90.49039	4.5
91.05469	52.3
93.06484	6.2
93.07032	88.3
95.08587	46.8
105.07021	58.3
107.08583	53.8
109.10156	8.6
110.39021	4.4
115.05433	4.7
117.07003	18.7
119.08578	17.5
121.10119	36.8
129.07010	6.9
131.08540	48.3
133.10089	19.4
135.11603	8.0
143.08574	16.1
145.10138	25.7
147.11696	10.2
149.09625	45.5
149.13194	4.2
157.10071	7.0
159.11690	10.6
171.11681	8.3
173.13307	7.5
185.13307	8.3
187.14877	6.0
199.14709	5.4
205.50514	4.3
335.25842	67.9
372.24628	4.9
391.29535	6.5
409.30933	21.9
501.35461	24.7
522.57483	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	682.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.62698	1.2
55.01863	2.1
55.05496	1.6
57.03417	1.6
67.05492	6.9
69.03410	6.5
74.52321	1.3
76.42511	1.4
79.05460	2.1
81.03385	10.7
81.07041	6.3
83.04943	1.8
85.02888	5.9
87.00809	3.5
91.05455	2.9
93.07036	6.1
95.04946	3.3
95.08598	3.3
97.02868	7.8
97.06513	2.7
99.04430	1.6
105.07037	2.5
107.08580	1.8
109.02853	9.9
109.10149	1.9
116.20629	1.4
118.06464	2.2
119.08562	2.7
120.08114	6.8
122.06015	2.3
123.22661	1.4
125.79340	1.4
127.03880	3.5
131.08566	1.9
133.10153	1.5
146.05972	15.8
148.07556	30.3
152.07021	1.9
157.10126	1.9
159.09132	2.7
163.03926	6.7
164.07031	11.0
168.08052	8.6
169.08864	6.5
173.05922	1.9
181.08800	2.1
182.09625	2.4
183.10393	19.0
185.24196	1.4
196.11249	2.8
197.06021	1.6
198.11243	2.9
198.12883	26.6
199.03902	3.1
202.05023	3.5
202.44757	1.7
211.10120	1.5
213.10368	3.0
213.13846	8.9
214.08553	2.1
214.12325	10.0
217.04875	3.0
224.10661	7.0
226.12401	37.3
227.11734	21.4
228.12543	2.2
241.09604	9.4
241.13300	30.6
242.14034	2.1
242.96878	1.5
243.07565	6.2
243.14883	20.8
245.12726	1.6
252.10168	8.8
255.11201	2.1
269.12790	100.0
270.11130	14.6
271.10699	9.7
272.08813	2.0
272.11575	5.7
273.12335	26.2
287.13837	91.3
340.29828	1.4
355.15286	12.0
376.10135	7.1
378.11780	2.4
390.21680	25.3
434.20682	25.7
674.51886	1.7
682.25848	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03434	5.3
57.07072	7.7
58.06595	37.4
59.07368	13.5
60.08166	9.2
67.05498	5.0
69.07059	1.4
70.50734	0.6
71.08627	3.1
75.04474	1.5
79.05481	4.1
81.03425	1.0
81.07047	4.0
83.05018	0.8
85.02889	1.6
85.10190	1.4
87.04472	3.8
91.05487	3.8
93.07043	4.3
95.08595	3.6
99.08035	0.7
100.10047	0.7
102.05563	0.9
105.07035	1.5
118.70453	0.6
129.06737	0.7
131.07040	3.0
133.10083	0.8
144.10184	15.6
145.07614	0.7
147.11790	0.7
162.11302	5.5
178.41388	0.7
218.13895	1.5
236.14899	97.2
237.15414	0.9
327.07858	3.1
360.82370	0.8
424.26831	5.5
432.01538	0.7
439.20242	3.1
442.27887	9.9
456.36743	10.4
474.37799	15.1
495.26624	1.2
502.27240	0.9
607.40381	1.0
621.04614	0.8
663.45819	1.2
680.50867	100.0
681.51233	3.6
701.53723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.4
57.03172	0.4
57.03430	5.0
57.07066	7.0
58.06595	36.6
59.04970	0.4
59.07374	12.8
60.08158	12.1
66.55363	0.4
67.05457	3.1
67.05761	0.4
69.07048	0.7
71.08587	2.8
73.02917	0.5
75.04422	2.5
79.05476	4.0
81.07052	3.9
83.04942	1.0
83.08605	1.1
84.08118	1.1
85.02866	2.2
85.10147	1.2
87.04445	3.8
91.05429	3.2
93.05528	0.5
93.07001	2.6
95.04948	0.7
95.08569	3.6
97.10098	0.5
100.11166	0.5
101.96588	0.5
102.05492	1.0
103.03896	0.6
105.07007	2.0
109.10131	0.7
113.05975	1.1
130.08687	0.5
131.07024	1.9
144.10178	18.4
147.11732	0.7
147.18181	0.5
162.11253	4.5
200.12756	0.6
218.13948	0.8
231.56248	0.5
236.14900	100.0
237.15129	0.6
301.94308	0.5
344.80188	0.5
412.37781	0.8
424.26657	4.8
439.20374	1.1
442.27933	6.6
456.36694	8.9
474.37808	13.7
680.50873	82.6
681.51318	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	680.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91869	2.6
54.99921	3.3
55.05510	50.5
57.03427	14.9
57.07065	38.5
57.91813	3.0
58.03740	3.0
61.02914	4.9
67.05489	20.6
69.03413	3.8
69.07056	20.6
71.08616	18.5
79.05459	17.3
81.07044	21.1
83.04985	4.0
83.08598	41.6
85.10162	4.8
91.05489	3.7
93.07018	8.1
95.08591	20.8
97.10147	79.3
107.08582	24.9
109.10147	15.3
117.07018	4.3
125.09625	76.8
135.08052	6.7
171.10204	4.2
181.30220	4.2
184.07323	21.0
189.11211	54.7
215.65332	4.1
227.12747	100.0
236.14977	4.6
245.13792	79.4
280.96466	3.5
313.27310	65.8
333.37872	4.8
360.52515	3.9
370.62589	4.1
439.20471	6.5
483.36819	54.5
597.41296	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	680.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.05495	14.6
57.03173	1.9
57.03423	19.6
61.02901	2.9
67.05493	53.4
69.03394	3.0
69.07050	15.1
70.10518	1.9
71.01367	2.2
71.04984	3.0
72.36100	2.0
75.18623	2.2
79.05479	58.9
81.03388	16.3
81.07043	45.7
83.04975	21.4
83.08572	4.1
85.02859	8.7
85.06522	3.1
87.04470	2.5
91.05465	53.4
91.18883	2.3
93.07029	58.0
94.77319	2.5
95.04950	29.0
95.08595	22.1
97.02842	3.3
97.06541	19.7
97.10153	8.9
105.07038	30.6
107.04934	10.1
107.08591	37.6
109.06541	8.2
109.10133	11.2
111.04427	4.2
117.07019	9.1
119.08556	30.1
120.02891	2.4
121.06458	3.6
121.10138	12.1
123.08064	3.4
129.06970	16.3
131.08531	11.1
133.10118	25.1
135.08057	2.8
135.11670	37.8
145.10143	9.7
147.11650	15.6
149.09637	2.9
151.11188	4.9
157.10118	12.1
163.11118	5.4
165.12743	2.7
170.15401	2.7
175.11160	10.3
181.12215	9.9
193.12196	8.4
210.38672	2.4
211.13210	3.0
241.24373	2.2
255.15868	34.7
267.15912	39.8
285.16940	10.1
289.91772	2.8
447.27359	30.1
465.28415	100.0
494.04764	3.0
609.32281	3.6
680.31055	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01187	7.1
53.03943	7.3
55.05497	50.7
57.03416	12.3
57.07044	10.7
67.05482	59.1
69.07044	18.3
71.40627	7.6
79.05476	68.8
81.07050	63.9
83.08592	15.4
90.07533	9.0
91.05466	100.0
93.07007	65.0
93.73258	8.2
95.08575	37.9
102.64342	9.4
105.07005	70.2
107.08598	48.4
115.31617	7.6
117.07001	18.4
118.76048	8.3
119.08545	44.7
120.04865	8.5
131.08556	44.3
133.10130	21.9
143.08574	12.4
145.10083	20.2
145.79034	10.5
147.11618	9.0
159.11691	11.1
166.88589	9.2
169.10129	8.9
184.07338	9.9
269.17242	10.6
333.24182	13.7
372.33655	9.0
523.34229	9.8
527.37036	10.9
538.35046	8.1
554.42542	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	679.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36551	1.9
53.92476	1.9
54.40984	2.5
55.01866	2.6
55.05498	2.9
57.03429	3.0
61.02921	4.5
67.05492	15.7
69.03427	3.2
69.07082	2.6
70.73036	2.2
71.05006	3.0
73.02906	4.7
75.26478	2.0
79.05473	11.7
81.03401	5.0
81.07040	10.6
83.04977	3.4
83.08611	3.2
85.02903	10.8
91.03909	4.1
91.05466	5.2
93.07014	11.9
95.04967	3.0
95.08588	4.2
97.02893	8.7
97.06518	2.3
105.06996	4.5
107.08594	10.5
109.10191	4.9
110.74834	2.0
117.07011	3.1
119.08575	4.2
121.10115	2.9
131.08601	2.9
133.10094	4.3
135.11703	9.1
145.10165	4.5
163.11189	3.6
223.86055	2.3
243.08426	3.2
249.60391	2.4
272.79001	2.8
283.15411	3.7
386.62637	2.6
453.20786	14.0
463.42719	2.8
467.18900	4.7
481.28012	4.1
679.22040	4.3
679.32855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.9
54.82206	5.7
55.01888	6.5
55.05501	42.8
57.03443	9.1
57.07065	10.7
57.86707	5.2
58.71702	6.0
67.05499	78.3
69.07048	53.1
79.05479	88.4
81.03397	8.1
81.07040	100.0
83.08615	30.4
86.09700	44.5
91.05470	98.2
93.07038	90.4
95.04960	8.9
95.08583	61.3
97.06525	10.5
97.09161	7.1
99.08030	6.2
101.04444	6.5
103.67786	6.1
105.07010	74.9
107.08569	64.1
109.06534	8.2
109.10168	12.5
117.07013	34.6
119.08564	81.8
121.10165	14.8
122.01242	6.3
125.00026	13.7
128.06148	8.5
129.06981	12.2
131.08575	50.2
133.10139	40.6
135.11728	13.9
143.08546	26.2
145.10100	36.8
147.11647	12.1
155.08557	14.2
157.10098	10.6
159.11644	12.0
161.13280	11.7
167.08571	7.5
169.10136	7.2
171.11676	15.0
173.13275	9.9
184.07320	71.1
197.13293	11.1
209.13136	10.2
221.15605	6.7
259.20557	27.6
268.43256	7.8
329.21112	6.3
333.24185	24.1
339.35287	6.6
513.35809	11.2
527.36780	29.0
607.42908	9.9
625.33417	8.1
625.43939	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76844	3.7
53.70637	3.6
55.01862	8.4
55.05513	33.4
57.03437	32.9
57.03658	3.7
61.02897	5.7
67.05502	59.0
69.03419	5.8
69.07053	19.4
75.60450	4.2
79.05477	67.2
81.03400	27.0
81.07055	43.5
83.04963	10.9
83.08582	7.4
85.02874	8.2
91.05475	35.6
93.07024	57.7
95.04943	22.5
95.08557	18.5
97.06485	17.6
97.10165	10.1
99.04416	4.8
105.07022	11.0
107.08599	38.4
109.10226	5.0
116.04697	6.8
119.08577	19.7
121.10119	17.1
125.09609	10.9
129.05478	35.5
131.08549	9.5
133.10104	15.9
135.11659	55.1
143.07068	6.8
145.10094	10.9
148.65770	4.5
157.08501	5.3
163.11182	5.1
171.10265	4.3
181.12166	8.9
199.13307	7.7
241.33264	4.6
255.15871	54.8
267.69418	4.1
271.02322	20.2
283.15280	5.7
301.16476	30.5
309.60721	5.3
315.21689	4.5
409.25345	6.3
414.18326	4.9
463.26877	10.8
481.27869	100.0
537.72150	4.8
551.36450	4.8
578.86169	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
54.15067	1.3
55.05508	17.3
55.73764	1.4
57.03429	9.4
57.07059	2.3
61.02917	39.6
61.90648	1.2
64.33935	1.5
65.03924	2.1
66.99876	1.3
67.05493	99.0
69.03419	2.5
69.07058	20.7
70.80894	1.4
71.04984	2.6
73.02906	16.3
79.05475	71.1
81.03410	3.0
81.07040	100.0
83.04966	1.6
83.08614	8.1
85.02890	36.4
85.06532	2.7
91.03937	38.8
91.05465	34.4
93.07024	82.9
95.04935	6.5
95.08585	78.0
97.02874	17.3
97.06525	2.5
97.10112	1.8
99.08112	1.6
105.07013	26.8
107.08587	49.9
109.06516	3.2
109.10141	35.5
111.08079	2.6
114.79021	1.5
117.07009	13.6
119.08554	27.7
121.10115	39.7
123.11691	14.8
127.03893	8.6
131.08559	25.9
133.10115	21.2
135.11681	30.1
137.09634	3.0
137.13261	3.6
145.04936	11.8
145.10106	19.6
147.11690	12.4
149.13243	22.1
159.11691	12.9
161.13203	10.8
163.05960	16.2
163.14777	14.5
165.12749	1.4
173.13225	17.9
174.70749	1.4
175.14844	1.6
177.16425	3.0
187.14806	9.4
201.16423	2.0
215.17894	2.3
243.21059	32.7
261.22079	85.5
279.23248	2.0
335.25824	15.0
353.26819	31.8
497.30585	2.0
578.84235	1.7
579.78406	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
53.03924	1.9
53.51724	0.7
55.01845	1.0
55.05261	1.1
55.05508	16.8
57.03432	7.6
57.07063	3.5
61.02915	22.9
65.03925	1.5
67.05495	86.2
69.03421	5.8
69.07059	16.9
71.04983	3.3
73.02903	8.7
75.04415	0.9
79.05476	53.6
81.03398	1.7
81.07039	100.0
83.04955	1.3
83.08609	8.6
85.02888	23.3
85.06522	1.5
86.14887	0.7
91.03930	17.8
91.05465	30.8
93.07024	65.5
95.04950	5.6
95.08582	71.6
97.02871	10.4
97.06494	4.0
97.10150	4.0
99.04440	0.9
99.08078	1.3
105.07017	21.5
107.08574	41.5
109.06473	3.3
109.10143	35.3
111.08080	3.7
111.11566	0.9
117.07000	11.1
119.08553	20.1
121.10121	33.7
123.08063	1.2
123.11678	16.5
127.03902	5.1
131.08556	22.7
133.07741	0.9
133.10098	16.1
134.52400	0.8
135.11679	28.5
137.13243	5.5
145.04955	5.4
145.10094	17.2
147.11674	10.6
149.13239	21.1
151.11159	1.1
159.11650	13.7
161.13239	9.3
163.05989	6.4
163.14783	12.6
165.12695	1.1
173.13248	14.8
175.14810	4.0
177.12662	1.4
177.16386	5.6
179.14250	1.2
187.14876	6.2
191.14247	1.1
201.16405	1.8
205.15868	3.2
216.51181	0.8
243.21033	23.9
261.22089	71.9
279.23163	3.5
335.25729	24.9
353.26810	29.7
378.05203	1.0
382.79391	0.9
497.30878	5.1
677.34882	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	677.2797
Annotation	11-epi-Azadirachtin D
Peak:m/z	Relative Intensity
54.81580	2.0
57.00195	1.5
59.26723	1.6
81.03448	2.2
92.09389	3.6
108.43727	2.0
124.07555	3.0
137.02345	2.8
137.05975	3.2
147.04437	8.3
148.04778	3.3
166.60268	1.9
176.06937	3.1
260.09030	8.9
261.09784	8.8
292.43863	2.1
303.08502	2.7
318.12183	3.8
339.12241	2.8
377.13535	3.4
378.14270	18.4
384.14105	2.3
404.15985	2.5
450.36819	2.3
484.18301	8.8
496.16525	2.3
502.19379	2.7
515.18323	4.1
615.24261	16.7
633.24622	14.3
641.25433	11.8
659.26862	96.3
664.93866	2.8
677.16193	3.4
677.27734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02038	1.3
52.43577	1.5
55.05515	2.1
57.03448	2.1
61.02913	6.5
66.21111	1.4
67.05495	9.4
69.07050	2.0
73.02900	2.4
79.05471	8.8
81.03413	1.9
81.07031	12.3
82.64821	1.4
85.02882	3.7
91.05481	7.0
93.07034	8.5
95.04933	1.9
95.08599	3.4
97.02868	3.7
105.07028	7.2
107.08571	2.5
118.22248	1.5
119.08577	2.5
121.10146	1.9
126.17764	1.8
127.03841	2.1
129.06964	2.5
131.08600	1.9
134.07304	1.6
203.55988	1.6
257.26239	1.7
270.44360	1.6
271.66614	1.5
354.05841	2.1
428.34952	1.7
453.21002	6.3
465.20993	7.8
677.34930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67459	2.0
53.03933	5.8
55.05505	32.3
55.41903	2.3
57.03430	18.4
57.07061	4.3
61.02920	33.9
67.05495	61.2
67.15073	2.4
69.03422	5.7
69.07050	23.8
71.04967	3.5
73.02901	10.6
79.05479	79.9
81.03407	34.0
81.07046	67.0
83.04986	20.2
83.08614	16.4
85.02895	45.5
88.50383	2.3
90.74889	2.7
91.03945	19.2
91.05468	100.0
92.05784	3.2
92.08613	4.9
93.07030	86.7
95.04945	24.8
95.08589	47.4
97.02854	20.6
97.06508	4.7
97.10149	4.9
99.08102	2.9
100.34625	2.6
105.07017	88.0
107.04960	11.3
107.08569	48.1
108.08922	2.7
109.06505	5.3
109.10133	17.9
109.48015	2.5
111.08070	4.5
117.07018	21.8
119.08572	67.2
121.10126	33.1
123.11681	3.7
125.09631	2.5
127.03915	3.6
129.06995	23.5
130.31363	2.7
131.08540	42.8
133.10101	66.9
134.10344	2.8
135.11676	23.3
141.06970	2.8
143.08551	16.6
145.10080	26.7
147.08022	4.5
147.11679	47.6
149.09589	4.1
149.13274	15.4
157.10117	21.3
159.08012	4.0
159.11676	18.1
161.13269	25.2
163.11160	3.6
163.14804	3.9
169.10168	3.4
171.08080	4.3
171.11656	17.8
173.13260	16.0
175.11176	10.1
175.14810	14.8
181.10144	3.1
185.13264	13.3
187.14828	2.9
193.12230	13.7
199.14861	5.7
211.13271	4.0
241.19411	19.3
259.20493	46.4
267.15836	21.4
268.16364	3.0
285.16971	4.1
350.71902	2.7
351.25244	82.4
375.25174	3.5
385.23837	3.3
441.26382	5.4
459.27496	17.9
460.27673	20.2
460.34143	3.8
477.28568	18.1
477.34735	4.2
478.28793	13.7
478.35733	4.4
495.29443	5.1
598.03955	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.0
53.03934	5.5
55.01858	3.0
55.05505	23.7
57.03424	15.1
57.07057	2.4
59.04991	1.4
61.02913	33.8
65.03934	1.5
67.05141	2.3
67.05492	55.6
69.03403	8.8
69.07056	20.9
69.78452	1.1
71.04971	7.6
71.08604	2.7
73.02904	12.9
79.05473	80.3
81.03396	7.4
81.07040	64.8
83.04973	5.0
83.08614	11.9
85.02374	1.4
85.02887	33.7
85.06513	5.7
91.03938	20.0
91.04877	2.4
91.05459	79.5
93.07024	95.1
95.04938	10.9
95.08586	38.9
96.92252	1.4
97.02866	19.2
97.06525	6.5
97.10159	2.7
99.04416	2.4
99.08065	2.5
101.02368	1.5
105.04522	1.5
105.07013	81.0
107.04921	2.4
107.08572	54.7
107.09293	1.9
109.02835	2.9
109.06508	6.6
109.10132	14.0
111.08044	2.5
115.03872	1.4
115.05418	2.0
117.06994	22.3
117.77619	1.2
119.08556	67.2
121.06441	2.0
121.10124	40.3
123.11669	6.0
124.07626	1.8
125.09593	1.6
127.03874	7.5
128.06165	2.6
129.05457	1.9
129.06975	21.6
130.07852	1.5
131.08549	37.7
133.06502	2.1
133.10112	49.6
135.08025	2.1
135.11673	33.2
137.09595	1.8
137.13225	1.4
141.06989	1.6
142.07787	1.5
143.08551	19.7
145.04935	5.8
145.06523	1.4
145.09081	2.2
145.10107	24.9
147.08070	1.6
147.11662	39.2
149.09572	2.6
149.13217	17.5
155.08568	2.9
157.10094	17.3
159.07996	1.7
159.11655	20.9
161.09619	2.6
161.13219	34.3
163.06018	5.6
163.11101	2.8
163.14806	8.1
165.09103	5.2
169.10159	4.7
171.07936	1.4
171.11612	19.0
173.09563	2.6
173.13229	13.4
175.11217	2.3
175.14783	19.9
181.10153	1.6
183.11690	2.7
185.13228	18.8
187.14758	5.9
189.12721	1.7
193.12122	2.3
197.13071	1.6
199.14774	9.5
201.16365	1.7
203.14355	2.0
213.16345	3.1
215.17924	1.5
217.19516	6.4
231.21056	3.1
241.19449	27.6
259.20505	69.6
277.21600	6.6
296.08359	1.3
301.21503	2.9
325.21533	1.6
333.24240	13.1
351.25229	100.0
363.25226	7.0
367.22449	6.2
375.25162	5.4
385.23611	2.4
387.25110	3.0
399.25186	1.5
403.24637	1.4
417.26578	2.9
429.26199	1.7
441.26144	12.5
459.27191	8.3
477.28192	8.4
495.29285	13.5
554.66949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76144	0.4
56.96553	0.7
56.98155	0.4
67.99178	0.5
79.67400	0.5
92.08611	1.0
105.05321	0.5
123.04398	0.5
127.03983	0.6
133.83742	0.4
184.96982	0.4
219.04442	0.6
237.05399	0.8
253.47484	0.5
276.05551	0.7
291.06570	3.1
297.05533	0.7
309.07620	1.0
314.43259	0.5
315.06470	3.2
320.04480	0.8
331.09854	0.8
333.07486	1.8
340.09988	0.8
341.08105	0.6
364.09668	1.0
366.11221	0.7
382.10861	0.7
394.10858	2.6
399.12360	0.5
410.10016	0.8
412.11652	4.9
418.11078	0.9
430.12939	2.6
436.11938	2.6
445.12256	0.7
454.12854	1.9
463.12683	1.0
482.12500	1.1
500.14752	1.1
502.16379	0.6
518.15887	2.5
520.17792	0.6
531.15735	0.8
536.17035	2.4
575.18237	0.7
631.20441	0.8
675.24023	100.0
676.24329	2.0
693.24249	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	674.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.6
57.03430	5.6
57.07064	30.2
66.82426	2.9
67.05495	46.3
69.07059	13.7
71.04973	12.4
71.08296	2.6
71.08620	28.8
76.55896	3.5
79.05472	18.5
81.07040	47.2
83.08598	16.3
85.10157	12.1
91.05450	5.6
92.82296	3.2
93.07038	17.4
95.04984	2.9
95.08574	30.1
97.06547	4.5
97.10164	13.2
99.08079	3.8
105.07037	5.1
107.08573	13.6
109.10136	29.3
111.08070	3.4
117.68506	3.4
119.08552	3.6
125.09595	5.0
131.08499	4.0
135.11678	5.8
149.13234	5.1
180.85492	3.1
227.12665	10.8
229.14319	21.3
313.27151	23.6
323.21127	3.0
395.86148	3.2
467.37076	18.3
507.40353	100.0
514.38464	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	674.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82206	1.9
55.05503	13.9
55.92949	2.3
57.03418	3.9
57.07071	25.1
64.97027	1.9
67.05491	34.2
67.12335	2.4
69.07061	13.2
70.14657	2.0
71.04980	2.8
71.08611	17.0
79.05473	14.8
81.07038	36.7
83.08614	22.0
85.10166	9.0
91.05473	9.5
93.07021	21.5
95.08568	22.2
97.06516	2.7
97.10126	8.2
105.07010	5.2
107.08578	13.2
109.10165	12.7
117.07125	2.6
119.08598	2.4
125.09602	4.6
133.10078	4.6
151.11163	2.4
153.68584	2.4
159.11688	4.8
163.11055	2.4
177.12724	2.7
200.91982	2.1
212.86003	2.2
227.12701	4.3
229.14485	3.1
282.86356	2.5
313.27322	9.2
351.25323	2.7
491.41177	2.8
507.40381	100.0
589.47968	3.7
639.00446	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	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.3
57.03423	2.4
57.07071	48.3
57.22910	2.3
60.08350	2.9
64.33841	2.8
64.98074	2.4
67.05485	11.6
69.07053	6.6
71.08610	26.3
73.06549	13.9
79.05486	6.3
81.07031	13.2
85.10169	17.9
87.04439	5.6
89.06012	100.0
93.07032	5.8
95.08578	10.9
97.10175	5.3
97.71990	3.2
99.11716	3.1
105.07005	5.0
117.09115	11.5
133.08595	30.5
144.18875	2.9
155.31058	2.5
177.11241	17.0
217.14371	6.5
222.56102	3.0
243.23187	6.2
335.25629	11.2
361.55789	3.3
366.09869	2.9
477.36081	4.4
613.30914	3.3
646.72919	3.5
657.47943	3.9
674.50653	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	674.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01864	9.8
55.05510	49.8
57.03436	26.0
57.07066	4.0
65.03896	2.3
67.05145	3.1
67.05495	86.1
69.03412	3.2
69.07053	26.6
71.04971	6.0
79.05473	67.3
81.07039	100.0
83.04982	10.6
83.08604	14.6
84.05744	4.3
85.02872	3.8
85.06530	3.6
86.61521	2.5
87.04457	2.2
87.62620	2.4
89.55342	2.3
90.74216	2.3
91.05460	25.2
93.07018	62.9
95.04922	5.1
95.08585	52.1
97.06513	5.1
97.10117	20.1
99.04430	5.6
105.07028	24.1
107.08594	28.9
109.06482	3.6
109.10161	20.5
116.04698	4.5
117.07038	8.8
119.08561	20.0
121.10129	22.2
125.09612	13.3
131.08543	14.1
133.10098	17.8
135.11673	10.4
137.81496	2.6
141.02716	2.6
143.08546	2.9
145.10114	12.1
147.11684	5.5
149.13312	8.4
157.15369	2.4
159.11673	2.3
161.13306	3.8
163.14882	4.3
172.00839	2.4
173.13275	4.1
217.10767	3.0
217.14253	33.8
243.21103	3.7
261.22049	21.0
335.25729	72.3
351.25085	2.8
353.26822	4.0
477.35809	19.5
657.31586	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
55.05506	31.8
57.03433	18.8
59.04984	2.4
61.02925	2.7
63.72634	1.7
65.03926	2.5
67.05493	54.9
69.03415	4.5
69.07056	18.7
70.62369	1.6
71.04972	4.5
73.02882	1.7
79.05474	64.8
81.03402	81.6
81.06595	3.3
81.07040	66.1
83.04966	39.9
83.08612	28.1
85.02886	25.9
85.06518	2.7
90.99238	2.1
91.03927	2.5
91.05460	100.0
92.09217	2.4
93.07019	55.8
93.07578	3.4
95.04946	45.5
95.08578	33.3
97.02882	8.9
97.06512	10.6
97.10149	8.0
98.86401	2.0
99.07999	2.2
99.71928	1.7
105.07013	72.9
107.04934	27.7
107.08604	15.8
109.06512	3.7
109.10143	10.5
111.08073	11.5
114.97726	2.0
117.06977	7.8
119.08564	44.3
121.06528	2.7
121.10071	15.6
123.08076	3.9
127.07533	3.7
129.06976	28.8
131.08557	30.2
133.06400	2.3
133.10109	47.6
142.07872	6.8
143.07068	2.1
143.08505	2.5
145.10077	15.9
147.08072	7.6
147.11659	32.5
149.09648	10.3
149.13219	3.0
157.10085	32.9
159.11618	3.2
163.11180	3.7
165.12743	3.2
175.11179	21.1
192.07268	2.1
193.12172	43.3
211.13231	30.1
267.15869	76.0
269.10513	3.3
275.20020	2.9
285.16837	14.2
340.26938	2.2
351.25336	2.1
408.30591	2.6
459.27335	100.0
459.33734	6.0
477.28433	71.1
477.35257	7.7
562.89044	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	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
54.31367	0.7
55.01869	8.4
55.05263	1.2
55.05508	23.4
57.03433	8.4
57.07095	0.8
59.04977	0.8
59.56386	0.6
61.02918	8.7
65.03907	0.8
67.05492	40.8
69.03420	4.1
69.07063	11.2
71.04978	4.5
71.62366	0.7
73.02901	1.4
74.12286	0.7
79.05476	31.1
81.03406	12.2
81.07041	37.0
83.01344	2.8
83.04967	12.8
83.08604	11.6
85.02898	7.2
85.06523	1.8
90.77837	0.8
91.03934	1.7
91.05466	26.9
91.06004	1.4
93.07024	35.0
94.01804	0.8
95.04945	19.4
95.08586	14.4
97.02876	4.6
97.06524	7.4
97.10155	15.7
99.04453	3.3
99.08154	0.9
105.07019	24.0
107.04947	11.3
107.08581	25.1
109.06516	4.4
109.10138	14.2
111.04453	7.7
111.08034	5.8
111.82064	0.8
117.06991	11.2
119.08555	13.3
121.06487	6.9
121.10127	9.3
123.04421	1.7
123.08070	3.4
123.11702	4.0
125.09608	12.2
127.03821	1.0
127.07505	0.9
128.06216	1.0
129.05443	1.0
129.06973	5.9
131.04863	1.6
131.08543	16.5
133.06541	2.9
133.10110	19.1
135.08058	5.6
135.11678	9.0
137.09596	2.8
141.05611	0.8
141.06944	1.7
142.07639	0.8
143.08522	6.1
145.06509	6.5
145.10080	9.7
147.04440	0.9
147.08034	6.1
147.11710	3.9
149.05997	1.3
149.09589	4.3
149.13249	4.9
151.11177	5.5
153.09134	4.2
153.12741	6.4
155.08542	4.3
157.06470	1.5
157.10139	3.5
159.08002	2.9
159.11659	5.6
161.05972	1.6
161.09651	3.8
163.07568	1.0
163.11137	12.0
165.09093	1.2
165.12500	0.8
169.10110	1.9
171.08000	1.6
171.11674	3.4
173.09613	2.7
173.13216	1.0
175.11205	1.3
177.12579	1.2
181.12199	5.9
185.09650	1.3
185.13289	1.7
187.14871	1.9
189.11208	3.6
189.12706	1.1
191.10664	2.9
193.12213	4.5
195.11723	1.9
197.13235	1.8
199.11162	0.9
205.12315	1.6
207.11864	0.9
207.13786	3.0
215.09973	1.0
215.14369	3.7
227.12640	5.9
231.13943	0.8
233.15318	4.4
239.63828	0.7
255.13802	1.0
259.53006	0.9
265.14529	1.1
269.17493	3.9
273.14874	1.3
283.15512	3.5
287.16513	1.6
339.23148	4.3
349.21454	3.0
357.24149	5.3
367.22522	9.3
385.23639	26.2
403.24664	6.6
435.25278	0.8
441.26245	1.4
459.27344	99.9
460.27341	1.1
477.28403	100.0
495.29556	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41125	0.8
52.32775	0.9
55.01868	9.9
55.05268	1.6
55.05507	27.2
57.03425	11.0
59.04979	1.2
59.08714	1.0
59.56060	1.0
61.02906	6.6
64.57539	0.9
67.05496	45.0
68.26093	1.0
69.03413	2.1
69.07054	12.1
71.04971	4.3
79.05472	32.7
81.03403	11.3
81.06592	1.9
81.07040	38.3
83.04953	13.3
83.08611	11.6
85.02909	9.3
86.06039	1.1
91.03917	1.8
91.05467	29.9
91.06019	2.2
93.07024	34.8
95.04959	22.5
95.08584	16.1
97.02880	2.5
97.06489	10.1
97.10155	17.0
98.01587	1.0
99.08093	1.3
105.07013	24.5
106.23106	1.1
107.04923	12.2
107.08581	26.0
109.02920	2.0
109.06511	6.8
109.10136	17.4
111.04413	9.4
111.08070	7.6
117.06992	13.5
119.08552	13.8
121.06490	8.7
121.10122	13.6
123.04425	2.1
123.08010	2.7
123.11671	1.8
125.09615	13.6
129.06944	8.2
131.04872	2.2
131.08554	14.8
133.06480	2.7
133.10098	20.5
135.08011	5.4
135.11658	9.9
137.09627	1.5
141.06970	2.4
143.08566	5.0
145.06454	6.9
145.10117	12.3
147.08043	4.7
147.11684	4.5
149.09628	2.7
149.13222	4.5
151.11188	4.3
153.09084	2.6
153.12750	6.8
155.08580	4.3
157.10129	5.0
159.08006	1.9
159.11673	4.8
161.05869	1.2
161.09587	2.3
163.11150	10.7
169.10060	4.5
171.11659	2.7
173.09581	2.6
175.11171	1.8
177.12834	1.5
181.12187	6.2
185.13138	1.3
187.11136	1.3
189.11218	4.1
191.10643	2.5
193.12247	5.2
197.13124	1.3
205.15857	1.5
207.13762	2.0
209.11650	1.4
215.14217	2.3
227.12688	5.1
233.15240	3.9
255.13815	1.3
269.17459	6.1
273.14862	1.4
283.15341	2.7
326.05035	1.4
336.18375	1.3
339.22955	4.3
348.15128	2.4
349.20718	1.1
357.24127	2.4
367.22668	12.6
385.23694	24.5
403.24640	6.3
431.27979	1.8
441.26315	2.4
459.27350	100.0
477.28400	98.4
495.29294	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	674.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01472	0.5
55.05510	1.0
57.17088	0.4
69.03413	17.9
71.04974	1.1
81.03407	13.6
83.04963	5.5
85.06544	0.6
96.19294	0.5
97.02886	0.9
99.04441	2.7
101.00746	0.6
113.05955	1.2
123.04370	0.8
123.52944	0.6
127.03066	0.5
127.03918	3.4
135.04410	2.3
137.02386	1.0
137.05981	1.1
139.05458	0.8
145.02855	1.0
147.04359	0.7
155.08473	0.6
161.02176	0.5
163.03871	15.2
167.04938	2.4
169.06451	0.9
183.08035	0.5
185.05907	4.1
195.04468	3.3
197.05991	3.3
203.03337	2.4
213.05437	19.9
219.02887	0.6
223.03857	7.9
225.05499	0.8
241.04915	22.2
241.07240	1.0
242.05693	3.1
251.03378	3.4
253.04938	2.5
259.05963	2.7
269.04385	35.2
279.02728	0.7
297.03885	100.0
298.04236	1.3
301.06967	4.1
307.07983	4.5
315.05121	2.3
329.06552	11.7
377.06503	2.2
424.77362	0.7
426.40851	0.7
441.08270	0.8
473.10739	15.3
491.11749	16.4
509.12692	0.7
571.14508	0.8
602.49304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30914	0.4
53.00291	0.5
53.03942	1.9
54.81429	0.4
55.01860	5.8
55.05505	14.6
57.03429	8.6
57.07059	0.9
58.36533	0.4
59.04986	1.0
61.02915	4.2
64.63112	0.5
65.03941	0.9
67.05143	0.9
67.05495	25.7
69.03404	3.5
69.07056	8.8
71.01318	0.5
71.04975	2.9
73.02904	0.9
79.05479	23.9
81.03402	7.5
81.07038	32.0
83.01334	3.9
83.04966	10.5
83.08601	11.1
85.02894	6.3
85.06521	2.7
86.09722	0.5
87.00809	0.6
87.36660	0.4
91.03935	0.9
91.05458	14.2
93.07029	30.3
95.04948	7.5
95.08583	11.9
97.02871	5.1
97.06509	7.0
97.10163	6.9
99.04435	2.6
99.08061	1.0
103.05439	0.7
104.10765	0.9
105.07022	10.0
107.04950	6.3
107.08578	19.5
107.09297	0.9
109.02846	0.9
109.06500	5.2
109.10135	4.5
111.04421	7.8
111.08070	5.6
117.06986	8.5
118.55962	0.4
119.08562	8.3
121.06490	5.1
121.10127	10.7
123.04459	0.6
123.08042	4.1
123.11663	2.2
125.05961	0.6
125.09604	5.7
127.03900	2.3
129.07001	2.7
130.07828	0.5
131.08539	8.4
133.06500	0.7
133.10112	6.6
135.04358	0.6
135.08057	3.1
135.11678	11.6
137.02284	1.2
137.05835	0.6
137.09547	0.6
141.06905	1.0
143.08577	2.0
145.06490	2.0
145.10110	11.1
147.08043	2.0
147.11711	2.2
149.09616	2.1
149.13251	8.1
151.11163	0.5
153.09091	0.9
153.12740	4.2
155.08543	2.8
157.10117	0.6
159.08018	0.6
159.11713	5.4
161.06024	0.4
161.13242	0.6
163.03909	2.7
163.11148	16.6
165.09059	1.0
169.10106	0.7
171.11646	2.1
173.02348	0.7
173.09619	3.0
173.13217	0.5
177.12756	3.2
181.12175	5.0
187.14848	0.7
189.11198	2.3
189.12741	0.7
191.10675	4.7
195.11864	0.6
195.13797	3.1
197.13335	0.8
209.11758	3.3
213.14757	0.7
215.14294	0.6
227.12624	4.6
233.15379	1.9
236.14957	0.7
241.01305	2.2
245.04341	0.6
269.17410	14.2
273.03934	2.0
273.14871	1.0
283.15366	18.2
287.51794	0.6
327.28699	0.5
357.24326	0.7
367.22626	2.0
376.65729	0.5
385.23697	3.7
403.24850	3.5
409.09134	3.0
421.25763	0.6
459.27213	15.6
477.28397	100.0
478.28592	1.1
495.29446	15.4
495.36600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
56.07697	1.4
59.14357	1.6
63.33653	1.5
67.05488	3.9
69.03425	2.7
81.07076	1.5
91.05462	3.1
92.08708	4.0
92.28626	2.1
93.07027	2.4
93.71531	2.3
94.06554	7.9
95.04986	1.9
96.70421	1.6
96.85410	1.5
108.05252	1.8
108.08098	7.6
110.06075	1.8
119.04945	7.0
122.06020	24.6
123.08074	16.8
136.07544	24.2
138.09210	1.8
146.06067	2.4
147.04446	9.0
148.80579	1.6
150.05525	2.3
162.05530	2.4
164.05650	2.8
164.07039	84.2
172.07567	3.3
175.56923	1.7
176.03384	7.7
176.07108	1.6
180.06546	2.7
186.05437	2.5
189.10245	2.2
190.08652	3.1
191.08121	7.5
200.07127	3.5
201.06552	2.1
203.08144	25.9
204.06546	38.6
215.08080	2.0
217.09703	33.4
218.08051	2.7
219.35788	1.9
227.08147	2.1
229.06076	10.3
229.09602	2.3
231.11255	2.6
243.07590	3.4
243.11308	7.3
245.09160	50.0
246.07550	7.1
259.10754	8.4
263.10229	100.0
270.04669	1.9
271.06952	7.9
271.10678	3.2
277.11813	9.1
287.10236	1.9
289.08121	8.9
289.11813	12.7
307.12878	7.1
330.15588	2.1
354.18015	2.3
382.17520	3.6
400.18655	3.8
408.19302	2.9
424.18616	2.1
426.16431	48.0
452.18082	3.9
543.25592	2.9
545.23322	2.9
589.26233	25.4
593.26245	2.8
594.27985	2.4
607.27649	26.1
615.11047	1.9
619.27490	2.8
637.28772	21.2
655.29932	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	673.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.7
55.46435	3.5
64.08742	3.5
67.05505	6.6
69.03443	5.1
72.20059	4.5
77.35745	4.3
77.42732	4.2
81.46899	4.2
88.75397	3.8
93.07045	5.4
94.06544	6.9
96.04459	4.3
103.46211	3.5
108.08085	6.2
111.07976	4.5
111.29826	4.1
119.04940	6.1
122.06001	47.8
124.07593	8.7
136.07549	27.7
147.04471	4.9
148.07516	5.0
149.09650	4.9
163.03886	6.2
164.07034	65.5
172.22223	3.9
175.08725	4.0
189.10263	5.9
199.08618	6.0
201.10262	8.6
204.06587	6.4
204.10123	6.2
213.10085	7.8
215.11754	17.2
217.09700	34.6
227.08144	6.1
231.11325	4.9
241.09740	31.3
241.13353	17.0
243.11256	51.2
245.09116	5.5
257.12845	21.7
259.10638	8.3
261.12357	17.4
263.10339	16.8
267.11157	9.0
269.12698	18.2
277.11887	6.2
280.13617	6.9
283.14267	19.9
287.10239	9.7
292.14444	5.5
299.13940	19.8
300.12036	6.0
306.11627	4.8
307.14444	4.8
316.17963	5.0
317.15073	24.3
318.16013	7.4
319.16849	9.9
320.14120	8.7
320.17627	7.2
336.16806	9.5
338.14795	19.3
339.16925	9.1
343.12595	4.7
343.16537	19.1
346.15289	4.9
356.16095	18.0
360.16782	7.7
362.14905	20.2
362.18762	8.1
364.16617	52.3
369.14267	19.3
378.18079	19.9
379.18832	5.0
380.15930	29.3
382.17596	77.8
388.16360	6.3
390.18011	8.1
400.18646	57.9
404.19690	25.0
405.20270	6.2
406.17447	26.8
408.19177	25.2
418.19824	18.5
422.20328	15.6
424.18472	6.2
440.21698	7.3
470.19156	26.6
487.23383	5.1
488.20013	8.3
501.24789	5.5
506.22543	17.6
509.25449	6.9
527.26196	15.4
545.27454	25.8
549.26849	6.1
563.28625	7.4
570.24176	36.0
575.28198	20.1
589.25964	7.5
607.27057	5.2
611.26593	15.9
625.28583	8.8
627.74762	5.1
637.28571	48.7
655.29742	100.0
673.30713	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24695	5.6
53.54002	5.7
55.01844	6.1
55.05503	43.1
56.54393	5.9
57.03425	16.7
57.07081	54.2
67.05505	86.7
67.05827	9.5
69.07056	12.2
71.08620	32.9
79.05473	42.1
81.07040	57.6
83.08631	16.6
85.10178	13.2
91.05475	32.0
93.07029	47.7
95.08614	58.4
97.06484	7.0
97.10155	36.2
105.07027	16.7
107.08589	41.7
109.06518	9.1
109.10165	67.5
113.89646	7.6
119.08552	26.6
123.08040	50.0
125.09599	13.8
133.10132	8.9
137.09616	10.4
155.08609	9.2
157.10123	17.1
159.08009	11.6
173.09653	35.4
178.14993	8.5
188.52960	6.5
225.16231	7.1
243.17548	7.6
261.18317	8.9
263.16470	27.2
268.51254	7.4
271.16797	11.0
289.17822	14.3
313.27353	100.0
339.63419	8.6
363.21640	13.9
381.22623	16.7
575.43250	10.2
601.44458	35.9
619.45807	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	672.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58422	2.8
53.04153	2.7
54.08532	3.0
55.05498	21.3
57.03433	4.9
57.07067	33.4
58.85432	3.1
59.52975	3.7
67.05489	41.3
69.07049	18.0
71.04957	7.6
71.08598	19.0
79.05487	28.0
81.07043	45.1
83.08585	19.9
85.10162	7.5
89.06002	6.5
91.05466	18.1
93.07017	24.8
95.04951	3.5
95.08575	37.5
97.06505	3.7
97.10159	16.3
105.07022	15.0
107.08569	17.5
109.10124	14.6
117.07016	5.0
119.08535	8.5
121.10111	3.8
131.08559	8.2
133.10107	7.5
135.11607	3.9
149.13257	6.5
227.12819	6.7
275.20230	6.2
313.27237	18.4
316.47388	3.8
318.87930	3.7
349.23752	6.6
507.40366	100.0
587.46497	16.5
599.53156	5.1
619.49261	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	673.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	1.7
55.01869	11.6
56.09168	1.7
64.33786	2.1
67.05482	14.4
69.03397	3.2
86.06041	2.7
91.05441	8.9
93.07025	4.0
94.06543	20.6
95.04937	2.7
96.04481	2.1
108.08102	16.4
117.06901	2.5
117.72096	2.1
118.06507	3.3
119.04926	9.2
121.06476	3.6
122.05998	68.3
124.07555	5.1
127.08617	2.3
136.07558	47.7
136.17252	2.1
137.29321	2.0
140.07098	2.7
146.05919	3.8
147.04384	4.5
147.95067	2.0
148.07556	4.8
162.09073	2.2
163.03917	3.8
164.07033	100.0
164.10680	4.4
171.09155	3.1
172.07527	3.4
173.10725	2.6
173.89796	2.2
174.09111	4.3
175.08636	3.4
176.07040	4.5
178.08629	3.2
180.61304	2.4
185.10689	9.5
186.09256	3.2
187.08603	4.4
187.12282	5.0
188.09276	4.6
188.10699	10.4
189.10158	11.1
190.08633	2.7
194.08064	3.1
196.09988	2.7
197.10657	2.7
199.08653	8.5
201.10214	9.4
201.24741	2.2
202.08714	3.3
202.11082	2.1
203.09570	4.4
204.06592	8.0
204.10161	20.5
205.09691	2.9
208.09775	2.6
211.08650	2.7
211.10634	2.6
211.12486	3.1
212.09320	2.9
212.13219	2.6
213.06589	3.1
213.10179	16.6
213.13809	3.2
214.10887	4.0
215.11696	20.8
216.13776	3.1
216.76593	2.4
217.09683	49.3
218.08112	4.6
219.07619	2.7
220.09599	5.4
224.29939	2.2
225.10152	4.0
227.08212	8.8
227.11757	3.4
229.09666	3.8
229.13232	3.4
230.08073	4.2
230.11641	2.9
231.11220	8.1
235.10765	4.0
237.10378	3.3
239.11748	10.7
240.12567	4.8
241.09686	54.5
241.13257	15.7
242.11668	11.8
243.11224	75.7
243.14981	3.9
244.13293	13.2
245.09074	4.6
251.11836	4.2
253.13312	3.5
257.12726	33.9
258.11172	4.5
259.10699	18.9
260.11655	3.1
261.08823	9.2
261.12332	14.9
263.10205	16.3
265.13187	3.6
267.11230	26.4
269.09109	4.8
269.12796	28.6
271.10617	3.0
272.12805	3.3
277.11978	13.1
278.12390	7.5
279.13852	2.0
280.13434	2.7
281.12823	3.4
283.10898	4.7
283.14383	34.7
284.12646	3.2
285.12405	8.1
287.10126	14.5
287.13281	4.1
289.13055	4.6
290.12784	4.5
290.16467	3.4
291.11221	3.6
291.14667	5.2
293.16144	2.6
294.12167	2.9
295.11063	3.1
295.14270	7.8
297.12454	4.3
297.15897	5.1
299.13840	43.2
300.12161	18.5
301.15491	9.5
303.13654	2.7
304.14481	14.9
304.17828	2.7
305.15744	3.5
306.12549	2.7
306.15775	15.1
307.14008	4.1
308.13358	11.2
308.17410	12.8
309.12167	5.0
309.15390	8.0
311.13950	4.0
311.17383	4.1
313.11722	2.6
316.14297	3.2
316.17947	3.9
317.14987	36.6
318.15958	14.3
319.16968	22.6
320.13898	10.2
320.17508	10.6
321.15280	5.2
322.15054	10.5
323.13782	8.9
323.17328	3.3
325.11768	7.1
325.15417	37.3
325.18976	5.7
326.13913	4.5
327.13385	5.1
330.15930	4.2
332.13852	9.6
332.17587	15.1
333.14774	3.2
333.18347	3.5
334.15375	12.9
334.19092	8.8
336.17041	30.9
337.15070	5.3
338.14792	17.9
339.16992	21.0
340.15335	8.2
341.18625	3.0
343.12881	6.9
343.16437	38.2
344.17426	3.8
345.14258	3.0
346.15448	4.0
348.16916	4.2
349.14185	3.7
349.18271	4.0
350.14935	11.1
350.18814	6.8
351.13293	11.3
354.17938	4.3
355.16336	2.9
356.15894	11.5
357.18030	10.7
359.19849	2.7
360.16922	11.6
361.17841	17.5
362.14890	34.5
362.18771	11.5
363.15390	9.4
363.19571	3.3
364.16437	51.8
364.31537	2.9
365.14453	2.8
365.18668	4.3
366.18112	2.7
367.16232	3.4
369.14148	22.2
369.18216	3.5
376.16345	9.7
376.20486	4.6
378.17996	28.4
379.18835	16.9
380.15839	30.2
382.17508	89.4
383.19125	2.5
385.17599	2.9
387.15347	8.8
387.19446	8.1
388.16119	18.7
389.16949	2.7
390.18008	13.0
391.18283	3.3
395.19501	12.0
396.19080	8.8
400.18591	78.3
404.19638	26.7
405.20544	19.1
406.17386	44.1
408.19360	27.0
409.19897	21.4
410.18216	12.0
412.18524	11.3
418.19650	11.2
422.20752	27.9
423.21732	7.4
424.18567	13.7
426.20108	14.8
430.23279	2.8
433.15784	13.8
435.21356	11.5
438.20117	3.6
440.21680	19.2
444.20480	2.3
448.24167	9.0
452.17911	11.1
453.22583	5.0
466.22058	2.7
470.19199	42.8
473.25314	3.1
480.20871	2.5
481.25784	4.5
488.20120	4.4
501.24762	13.6
506.22729	15.5
508.24179	5.4
509.25226	8.8
510.24512	3.1
519.25763	4.7
524.23853	12.8
526.21863	10.5
527.26514	22.4
531.25952	24.9
532.24182	18.6
536.22021	4.2
545.27411	48.5
549.27039	40.7
550.25842	3.8
557.27228	10.6
563.28638	21.8
570.24365	88.8
571.24445	4.1
575.28546	82.2
576.28070	2.6
589.26099	3.6
593.29321	10.3
607.27618	9.2
611.30322	5.0
625.28540	38.6
627.29742	14.1
629.27905	3.1
637.28296	18.1
655.29736	18.6
673.30670	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	672.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70830	3.4
54.60378	3.1
54.82240	2.8
55.05505	16.7
56.17137	2.8
56.80715	2.8
57.03428	13.6
57.07060	4.0
57.07831	2.6
60.92643	2.8
61.02890	3.2
67.05492	44.4
69.07046	15.2
75.59091	2.8
79.05473	23.8
81.07037	28.2
83.08625	6.3
91.05481	16.7
91.43254	3.4
93.07011	26.0
95.04948	5.4
95.08588	100.0
105.07007	7.8
107.08593	7.4
109.10119	13.6
117.06994	4.5
119.08566	4.0
121.10111	4.0
133.91840	3.2
135.88237	3.0
145.10138	4.9
148.13672	3.9
148.32777	3.6
159.10159	6.0
215.12750	30.2
261.22314	3.6
335.25763	16.2
475.33932	17.2
539.39392	3.5
677.89630	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	672.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05501	10.1
57.03438	15.7
57.07062	2.4
61.02900	3.7
61.63707	1.3
67.05496	46.0
69.07050	10.0
71.08595	1.8
71.36456	1.2
75.04389	1.6
79.05475	18.8
81.07045	22.9
83.08592	3.2
85.02912	1.6
89.06001	1.9
91.05444	11.4
92.65221	1.5
93.07024	24.2
95.04955	2.6
95.08589	100.0
95.09203	3.3
97.02859	3.2
97.06522	3.6
105.03387	7.2
105.07024	7.6
107.08580	12.3
109.10159	9.1
111.08089	1.6
117.07021	2.3
119.08575	1.7
121.10141	7.0
123.08056	2.2
131.08533	2.7
133.10075	2.1
135.11674	5.5
145.10164	3.2
147.11760	2.4
149.05957	9.4
159.10139	10.5
159.11418	2.0
161.13231	2.6
173.13266	1.7
209.11754	2.1
215.12778	34.2
248.99515	1.6
261.22128	8.2
335.25729	25.5
475.34183	27.7
533.13953	1.8
597.58081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01866	2.0
55.05501	15.1
57.03429	8.8
57.07066	1.2
59.04961	1.3
61.02918	1.5
67.05142	1.4
67.05493	38.7
69.07054	15.1
71.04976	1.4
72.47523	0.8
79.05473	45.1
80.40382	0.8
81.03393	5.0
81.07040	45.2
83.04969	9.6
83.08597	7.6
85.02885	1.7
85.06525	1.6
91.05464	32.0
93.07024	51.3
95.04950	10.4
95.08585	19.4
97.02830	1.5
97.06501	7.2
97.10138	1.9
99.08110	1.0
105.04571	1.0
105.07008	18.6
107.04960	1.6
107.08572	21.2
109.06508	3.9
109.10157	2.1
111.08089	1.3
117.07011	7.2
119.08560	11.1
120.34884	0.8
121.06467	1.0
121.10110	10.4
123.08017	1.6
127.03896	1.0
127.07537	0.9
128.06229	1.1
129.06975	7.1
131.08525	4.7
133.10104	6.3
134.83943	1.0
135.07974	1.0
135.11668	5.1
143.08560	1.6
145.10121	4.8
147.08003	1.0
147.11685	16.6
149.13245	10.6
159.11649	4.6
161.09654	1.3
161.13255	2.0
164.70099	0.9
171.11621	8.4
177.12628	1.1
189.12735	3.7
195.13783	1.5
207.13794	6.5
212.16460	4.8
225.53668	0.9
238.18027	1.4
240.83253	0.9
256.19077	1.9
269.17407	21.0
281.17377	20.4
424.30652	1.6
475.30450	100.0
476.30609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48270	1.2
57.07067	2.5
67.05481	1.9
67.34494	1.3
71.08616	2.1
79.05430	2.3
81.07034	2.4
82.04861	1.3
93.06965	1.6
95.08588	2.2
173.15060	1.8
313.27423	2.0
359.22037	8.5
573.48706	6.4
611.35132	1.9
671.48407	100.0
672.50006	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	672.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.8
67.05495	6.2
67.25533	0.6
69.03413	3.1
70.24574	0.6
73.89095	0.6
76.67112	0.7
79.05453	0.6
81.03376	0.7
81.07009	0.8
83.04953	0.8
85.15431	0.6
86.06012	0.8
90.44624	0.6
91.05460	4.7
93.07030	5.7
93.70149	0.8
94.06535	6.3
96.04484	1.4
108.08111	13.1
110.06026	2.6
119.04919	5.5
120.08076	0.9
121.06507	5.2
122.06006	29.6
122.06841	1.4
123.08044	16.1
124.07528	2.5
134.06030	0.8
136.07556	36.9
138.09103	1.7
140.07056	1.5
146.06018	1.4
147.04408	6.0
148.07552	1.6
150.05486	5.4
158.05994	1.5
162.05492	4.2
162.08986	0.8
163.08617	0.7
164.07037	96.5
172.07553	5.1
174.09116	2.8
175.08643	2.7
176.03395	5.3
176.07066	4.2
179.83061	0.6
181.09686	1.5
182.08026	0.9
186.05511	3.2
186.71381	0.7
187.08630	0.8
189.10217	5.7
190.08585	5.3
191.08093	7.8
192.06592	1.5
198.09154	1.0
199.08682	1.1
200.07031	3.9
201.06583	2.6
201.10222	2.8
202.08780	1.4
203.06619	0.7
203.08127	33.2
204.06546	38.6
204.08334	1.7
211.10774	0.8
215.08205	3.2
215.11765	3.0
217.09697	34.9
218.08124	3.4
218.09987	0.9
227.08180	1.6
228.06557	1.1
229.06053	12.1
229.09599	1.7
230.08125	1.1
231.11273	3.1
233.12906	0.9
234.11244	3.7
235.10794	1.5
237.08749	0.7
241.09679	1.5
241.13148	1.0
242.11906	1.0
243.07582	5.0
243.11229	7.5
244.09668	0.8
245.09163	42.5
246.07471	7.8
251.13855	3.2
257.12811	3.7
259.10745	13.7
261.12225	0.9
263.10208	100.0
264.10645	1.5
269.09143	1.2
269.12741	0.8
271.07083	9.3
271.10696	5.2
277.11664	10.1
283.14246	0.8
287.10376	2.7
289.08157	8.3
289.11807	16.4
291.06821	0.8
291.09628	5.3
296.13748	0.9
301.08221	0.9
304.14685	0.9
305.11417	1.6
306.11713	1.4
307.13141	5.5
321.14581	1.5
334.15283	1.2
337.15396	4.2
338.14340	1.4
354.17969	1.4
355.16238	3.9
359.16168	1.2
362.14941	3.5
364.16617	1.5
372.19177	1.0
376.16333	1.0
377.17230	3.8
378.18274	0.8
379.16190	0.9
380.15930	2.9
382.17502	6.0
383.15912	1.4
385.17975	1.1
396.19327	1.1
398.16940	1.3
399.53909	0.8
400.18750	4.9
403.18961	2.7
406.17514	1.0
418.19604	1.4
422.20694	2.9
426.16376	53.9
444.21155	1.5
448.20837	3.1
452.18134	8.2
470.19333	5.9
472.20691	0.8
481.21655	1.2
492.23593	1.0
499.23389	0.9
500.21674	1.1
517.24268	1.0
525.25189	1.5
527.23682	0.9
543.26331	1.3
545.23853	3.5
561.27075	1.0
563.25238	1.5
565.26605	3.1
571.25262	3.1
589.17181	1.1
589.26410	22.6
591.27625	2.9
593.25647	6.9
594.27832	2.6
607.27545	41.3
608.27026	0.9
611.26630	4.1
617.26086	0.8
619.27008	1.1
637.28662	23.9
655.29694	24.3
673.30328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01862	6.0
55.05479	0.4
57.04849	0.2
67.05482	0.6
68.04992	0.4
69.03396	0.5
79.05464	0.8
80.04985	0.7
82.06537	0.3
91.05453	0.6
91.36271	0.3
93.05770	1.8
94.06543	4.6
95.04970	0.6
96.04472	1.9
96.08112	1.3
98.06008	0.6
106.06529	2.2
107.04928	2.2
108.04440	1.8
108.08066	1.2
110.06020	1.9
114.41615	0.3
116.07082	0.5
118.20786	0.4
120.08093	0.4
122.06006	6.7
123.06805	1.3
124.03925	0.7
124.07569	7.0
129.06923	0.4
130.06560	0.3
132.04382	0.4
134.05984	3.1
134.71967	0.3
135.04338	0.4
136.03925	3.4
138.09105	5.7
140.10646	0.6
141.22635	0.3
142.08606	0.5
148.07521	1.4
149.07104	0.5
150.05486	18.8
151.08641	0.7
152.07031	9.1
154.04970	0.6
158.05998	0.7
160.03867	0.5
160.07620	1.1
162.05470	0.4
163.08626	0.4
164.06999	0.3
164.10680	0.4
167.78413	0.4
171.09225	0.4
172.06166	0.5
172.07497	3.9
174.05481	0.6
174.09067	3.2
175.08640	2.9
176.03293	0.3
176.06981	2.6
177.06615	0.6
178.04947	11.0
178.06416	0.6
178.08560	0.4
184.07416	0.4
186.05421	0.7
187.08708	0.3
188.07057	1.9
188.10660	1.5
189.10187	4.3
190.08644	0.6
191.08118	6.1
192.06454	2.2
192.10138	0.4
196.06013	4.5
199.08630	0.6
200.07080	3.2
200.08722	0.3
201.06535	0.6
202.08784	4.0
203.08119	29.6
204.06528	46.5
215.11714	0.3
215.63211	0.3
216.13744	0.4
217.09682	26.7
218.08031	1.7
219.11264	0.6
220.09595	1.2
226.12392	0.7
227.08127	0.5
229.06006	2.6
229.09648	0.7
230.08096	1.7
231.07889	0.4
231.11163	0.5
234.11198	0.6
235.10840	0.4
243.07550	0.7
243.11229	1.5
243.14925	3.5
245.09164	39.2
246.07536	4.4
247.10567	1.1
248.09143	1.6
259.10660	0.6
263.10205	100.0
264.10571	0.5
265.11685	3.3
271.07153	1.8
271.10788	0.4
277.11786	0.4
289.08304	1.0
289.11761	6.3
291.09790	0.4
305.11179	0.6
307.12827	36.0
309.14490	0.8
311.17490	1.4
338.18533	1.5
339.17004	5.2
356.19702	3.0
366.17816	0.4
367.16559	0.4
382.17380	1.5
384.19022	5.2
385.18430	0.4
400.22104	1.3
402.20139	14.1
410.16718	0.5
426.20084	0.5
428.22186	3.2
440.14340	0.7
446.22745	9.2
454.19836	0.6
458.15152	0.7
472.20645	2.1
484.16788	2.4
502.17914	0.6
579.24054	1.6
597.25201	2.1
597.87616	0.4
605.25806	1.7
607.62537	0.4
623.27075	6.2
641.28027	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.5
57.07075	7.5
58.06306	1.4
58.06594	43.4
58.06876	1.7
58.49965	0.8
59.07373	15.9
60.08157	10.2
67.05506	4.1
68.33212	0.8
69.07066	2.0
71.08616	4.0
73.02914	1.1
75.04488	2.2
79.05471	1.5
81.07053	4.7
83.08607	1.3
84.08161	1.4
85.02895	2.2
87.04465	4.9
89.39685	1.1
91.05507	1.4
92.08698	2.6
93.07024	1.3
95.04975	1.6
95.08625	1.8
96.27542	0.9
102.05557	2.2
105.07034	2.1
106.49975	0.9
107.08608	1.3
109.06551	0.9
109.10157	3.9
135.86905	0.9
144.10197	18.1
162.11269	6.0
213.40982	0.9
236.14905	100.0
396.23718	1.5
412.37811	1.3
414.25128	7.6
432.26038	6.2
456.36731	9.1
474.37949	19.9
652.47626	4.0
670.48907	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.9
55.01862	19.2
55.05507	55.8
56.46900	2.7
57.03423	13.2
57.07066	6.3
65.31470	2.7
67.05498	68.8
69.03436	3.7
69.07062	22.7
71.05000	2.6
72.52734	2.7
79.05478	70.2
81.03401	5.4
81.06544	3.8
81.07036	93.1
83.04962	12.1
83.08601	27.0
91.05468	44.9
93.07028	75.0
95.04954	36.4
95.08593	38.1
97.06529	7.1
97.10148	31.2
98.98396	3.9
101.06644	2.8
105.07020	41.4
105.77267	2.9
107.04934	13.5
107.08582	30.7
109.06480	12.8
109.10152	13.8
111.04436	5.5
111.08066	20.4
112.89865	3.1
117.06998	24.9
119.08549	38.1
121.06461	12.8
121.10123	17.3
123.08051	14.2
123.11697	3.4
125.09618	19.5
129.06952	12.4
131.08556	19.0
133.06430	7.1
133.10130	5.8
135.08022	6.9
135.11624	4.7
139.07558	7.0
143.08510	6.7
145.06519	3.9
145.10101	21.7
147.08044	19.7
147.11719	3.8
149.09601	14.3
150.07541	3.0
159.11630	5.1
161.09605	12.4
163.11121	13.0
165.09097	3.7
171.11684	6.2
173.09521	4.3
175.11259	3.9
185.59671	3.1
189.11237	5.6
213.11169	15.4
261.22064	6.0
273.18457	38.7
291.19473	100.0
309.20544	4.8
335.25699	17.9
481.34796	5.7
537.38049	10.4
668.49713	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	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05506	49.6
57.03433	13.2
57.06812	1.9
57.07069	32.8
61.02916	37.0
64.92564	0.9
67.05494	22.8
69.03412	4.6
69.07053	80.0
71.04932	1.3
71.08615	19.1
73.02901	13.5
73.41669	1.0
75.04464	2.4
76.56592	1.1
79.05474	13.2
81.03407	2.4
81.07037	27.8
83.04932	1.6
83.08603	64.8
85.02895	41.6
85.10155	7.3
87.08075	1.0
91.03936	25.6
91.05474	2.6
93.07015	19.3
95.08582	21.5
97.02869	16.7
97.06532	10.3
97.10146	61.0
99.04418	1.2
99.08069	1.3
107.04893	1.1
107.08597	17.7
109.02886	1.4
109.10149	9.0
111.08073	6.0
111.11706	16.4
115.03928	1.1
115.07568	1.3
116.99734	1.2
121.10123	30.6
123.11680	6.9
125.09618	4.3
125.13255	4.4
127.03888	9.1
127.11237	1.4
135.11673	25.0
137.13239	6.3
138.36293	1.2
139.11162	4.3
145.04930	9.0
149.13231	11.3
153.12743	2.3
163.06001	10.7
163.14793	6.8
165.98384	1.0
167.14253	1.3
181.15770	1.1
209.19064	1.2
219.21039	25.5
237.22102	30.8
255.23152	27.0
268.29166	1.0
282.52994	1.0
311.25751	100.0
312.26169	1.9
321.38333	1.0
325.18274	1.1
329.26837	46.7
343.24530	1.2
436.89438	1.2
473.30814	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	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.8
62.35455	2.5
67.05487	11.5
69.03414	11.7
79.05504	3.7
81.03397	3.9
81.07034	15.7
84.70078	2.4
85.02921	4.3
91.05450	6.3
93.07033	10.8
94.06569	3.3
95.08575	11.9
97.06528	6.5
105.07053	2.7
107.08587	5.1
108.08123	4.0
109.06462	4.0
109.10107	2.6
110.54420	2.4
110.95618	2.5
119.08562	3.9
121.10079	2.8
122.06018	14.1
123.08024	2.8
133.10152	3.8
135.04414	2.9
136.07556	4.6
162.07928	3.9
163.03893	4.1
164.07048	4.6
173.05986	6.0
175.08690	3.5
189.10229	3.6
190.08562	5.9
204.54393	2.9
208.09486	3.2
210.74184	2.7
215.11757	3.7
217.04967	15.3
217.09692	17.5
218.08072	3.5
229.13409	4.3
239.11758	4.3
241.09775	3.9
243.11212	6.3
245.09143	5.4
257.12866	23.2
267.11172	3.7
277.11557	8.8
283.14240	5.7
292.14349	4.0
301.03238	4.1
329.13788	5.5
336.17133	4.8
338.14902	6.0
364.16574	3.5
370.17563	18.8
378.18054	14.6
380.15897	3.1
382.17566	4.1
400.18787	5.0
404.19510	11.7
410.20618	16.0
414.20255	12.1
421.09314	3.7
422.20691	3.8
436.22058	5.8
439.20792	3.1
440.18243	4.0
454.23029	14.9
484.20471	3.2
607.27319	35.0
607.66736	3.1
633.28766	18.2
642.84332	3.3
651.30188	100.0
652.30060	4.1
669.28906	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96885	0.7
56.55107	1.0
57.03426	1.4
62.76493	0.8
67.05496	1.0
69.03409	7.8
73.06519	1.0
79.05460	1.2
81.07058	1.3
83.01352	1.1
85.02924	1.0
85.42638	0.8
91.05488	1.3
94.06538	1.5
96.04474	1.4
97.06525	1.4
101.06003	2.2
109.06517	4.1
115.03894	1.9
117.19304	0.9
119.08561	1.9
121.06464	1.5
121.10125	1.0
122.05991	6.2
124.07606	3.4
125.05988	4.7
126.09155	8.3
135.04370	1.0
135.08098	1.0
136.07561	1.6
137.09631	1.5
147.08051	6.8
149.09605	4.3
152.07129	3.5
162.07898	1.2
165.09151	1.9
174.09129	1.1
175.07439	1.4
175.08775	1.9
177.09126	1.0
187.08698	4.1
188.09518	4.2
189.10260	4.4
190.69850	0.9
192.10187	1.5
193.08476	1.0
201.10168	1.5
207.10184	2.1
208.09741	4.6
213.10275	2.1
214.11043	1.6
215.08215	1.0
215.11798	5.1
216.08907	1.5
217.09727	23.7
225.11258	6.7
235.10768	4.4
241.09729	11.0
243.11320	15.1
252.12523	1.5
257.12933	1.1
259.10880	2.0
260.11627	1.2
261.12308	5.6
267.11313	3.9
270.13345	1.3
278.12817	2.2
279.13580	1.1
292.14398	1.6
294.12701	1.1
296.13998	2.0
310.15479	3.7
311.13611	1.0
319.14224	1.3
320.13983	1.7
336.17044	4.6
337.15341	0.9
338.15009	11.6
347.13730	1.1
356.16098	15.4
359.16837	1.1
362.15027	5.5
364.16400	13.3
380.15964	7.1
381.18442	1.3
382.17560	31.3
388.16602	1.9
400.18692	27.2
406.17438	8.2
408.15051	3.4
424.18808	2.1
442.18585	1.0
452.18085	1.3
484.20975	4.9
551.24524	1.1
562.25653	1.4
588.26501	1.4
606.28406	1.9
624.29279	1.4
625.28528	9.9
651.30206	3.8
669.31213	100.0
670.31708	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	669.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.9
56.98842	1.2
66.12675	1.3
67.05473	1.8
72.08014	1.4
75.22051	1.3
94.06535	6.4
102.11671	1.5
108.08073	2.3
118.61762	1.4
119.77493	1.3
122.06011	17.1
136.07556	8.4
162.07896	7.3
164.07045	19.6
175.08617	6.5
185.10782	3.0
186.05461	2.8
187.08630	2.7
188.09436	6.3
189.10184	8.4
190.08594	3.0
199.08607	2.8
201.10205	6.4
203.08168	13.5
205.09470	1.7
213.10168	8.9
215.08148	2.2
215.11761	7.1
217.09674	25.8
218.08138	11.1
227.08096	3.1
229.06035	5.7
241.09660	28.6
241.13284	1.9
242.10143	1.6
243.11208	24.5
245.09328	11.3
249.12286	6.4
254.08090	2.0
257.12830	2.0
259.10733	6.3
260.09122	2.5
261.12234	2.5
267.11172	11.5
273.12402	1.8
275.14038	2.7
277.08124	16.3
277.11777	22.0
278.12894	3.3
283.14328	2.1
290.12790	2.7
291.13507	7.0
296.13867	3.6
301.11865	2.9
304.14560	3.7
306.15787	2.5
307.16678	3.5
310.15726	1.6
317.15100	2.6
318.15909	2.3
320.13797	7.4
320.17499	3.2
322.15585	1.9
332.17560	2.5
334.15536	2.4
336.17047	9.7
337.17862	3.3
338.14975	3.7
346.15414	1.7
350.18671	2.5
360.16788	3.2
362.14813	14.4
364.16406	22.0
370.17459	15.1
382.17593	18.6
388.16425	6.6
390.17926	1.6
392.19595	3.1
394.17459	25.0
396.19080	16.8
404.19595	7.4
406.17523	10.2
410.20804	2.2
414.20218	100.0
418.20914	1.9
420.18884	9.3
422.21106	3.1
423.21259	3.5
438.20035	3.8
440.17773	22.0
454.23123	7.2
466.19339	2.6
484.20618	33.5
515.26416	2.0
545.27844	2.0
559.28906	11.4
571.28644	5.8
577.29926	1.9
589.30157	35.1
603.27966	6.0
621.28583	7.3
651.30084	8.8
669.30573	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	669.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.3
57.03415	0.6
67.05509	6.9
68.50283	0.7
68.58504	0.6
69.03413	1.9
72.69029	0.6
78.30072	0.7
78.32864	0.8
87.04473	1.3
91.05464	8.0
93.05772	1.3
93.07013	7.0
94.06541	8.8
95.04968	3.6
96.04477	3.9
104.47652	0.8
105.07005	1.1
108.08103	13.1
118.06507	0.9
119.04925	8.0
121.06477	3.0
122.06003	24.4
122.06845	1.2
123.08053	8.9
134.06038	1.5
136.07562	39.3
138.09146	4.4
139.05019	1.2
140.07036	1.2
144.08092	3.6
146.05988	1.5
146.09625	1.3
147.04379	6.1
148.07581	1.7
150.05524	5.3
158.06030	3.9
162.05476	4.0
162.09119	3.4
163.03864	0.8
163.08614	1.2
164.07042	86.7
171.09245	1.0
172.07567	8.7
173.07068	1.5
174.09161	5.0
175.08687	4.6
176.03442	4.0
176.07095	1.1
181.09770	0.9
186.05502	13.6
187.08670	1.9
188.07040	2.0
189.10214	5.5
190.08624	12.1
191.08134	9.3
199.08678	1.8
200.07088	9.0
201.06508	8.3
201.10242	1.9
202.07076	1.2
202.08618	4.4
203.08136	49.7
204.06635	1.0
204.08640	1.1
213.10246	1.6
215.08110	9.2
215.11662	0.8
216.08846	1.0
217.06389	1.2
217.09697	42.6
218.08130	39.7
227.08180	3.1
228.06564	1.6
229.06032	22.8
229.09700	1.8
230.08115	4.2
231.07663	1.1
231.11319	4.3
232.09651	4.0
235.10835	9.0
241.09720	3.1
241.13388	1.9
243.07593	9.4
243.11270	5.6
245.09171	53.4
248.12775	3.1
249.12242	1.0
257.12790	1.8
259.10794	21.7
260.09177	11.7
271.07147	14.5
271.10724	2.9
275.13788	3.3
277.08264	18.7
277.11823	100.0
279.13501	1.1
283.14099	1.1
285.12378	0.9
287.10196	1.8
289.13345	1.0
291.13306	16.9
292.14236	1.1
296.13913	1.7
303.09775	4.2
303.13464	8.6
304.14319	1.7
305.11295	8.9
305.14874	2.1
307.13376	1.4
308.14014	1.1
308.17111	1.0
318.15973	1.3
319.14294	0.9
320.13876	1.2
321.14587	6.9
332.17780	1.3
334.15253	1.8
336.17108	1.8
347.12790	1.4
351.17065	1.9
359.16153	1.7
360.16888	1.2
361.40213	0.8
362.14847	7.7
364.16574	4.7
368.19641	1.7
370.17401	1.4
377.18185	1.2
378.17944	1.9
382.17432	1.2
386.20801	1.2
388.16647	1.1
390.18076	2.9
391.18619	1.7
392.17209	1.6
393.17947	1.3
394.17435	5.5
395.19803	0.9
396.19226	4.4
402.18192	1.1
404.15665	1.3
410.20435	1.7
414.15887	3.9
414.20935	7.4
416.21902	1.0
417.20227	1.2
419.18231	1.4
420.18988	1.1
430.16135	1.2
438.20270	1.1
440.17972	65.8
458.22833	1.8
462.22134	3.2
466.19699	3.6
484.20618	4.5
488.20486	0.9
513.24384	1.4
514.23242	1.9
522.49548	1.0
525.24677	1.0
531.26105	6.3
557.27362	4.8
559.25421	9.6
575.27985	1.9
577.26239	1.1
579.27771	1.6
585.26917	4.9
603.28003	24.6
607.27478	3.8
608.27563	0.9
619.27069	0.9
621.29211	16.0
625.28418	1.4
633.28760	3.5
651.30316	9.6
669.29340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36171	0.6
55.01869	6.9
55.05499	0.7
58.97651	0.6
65.03923	1.1
67.05500	7.4
81.07016	1.1
81.52543	0.7
87.04429	0.9
91.05455	5.4
93.07021	5.6
94.06548	10.2
95.04939	2.7
95.08596	0.8
96.04501	1.7
106.06490	0.9
107.08598	0.8
108.08105	12.3
109.02846	0.8
118.06530	0.9
119.04929	6.5
120.08099	0.8
121.06499	2.8
122.06011	24.2
123.08026	8.4
124.07623	1.3
130.06543	1.6
134.06004	1.0
136.07562	36.7
138.09113	3.5
139.05008	0.8
140.07014	0.7
144.08090	1.3
144.88789	0.8
146.06000	1.4
146.09587	0.8
147.04387	4.6
148.07523	0.8
149.07117	1.1
150.05487	4.8
156.15297	0.7
158.06007	4.4
160.07544	1.6
162.05530	5.4
162.07864	0.9
162.09126	4.7
163.08603	1.2
164.07040	87.0
172.07535	7.4
173.07060	1.3
174.05537	1.5
174.09094	4.9
175.08621	5.1
176.03374	3.5
176.07066	1.5
177.06398	1.1
184.07504	0.8
185.07068	1.3
186.05473	13.8
186.07069	0.8
186.07788	1.1
187.08644	4.1
188.07056	2.7
188.10681	1.2
189.10208	4.4
190.08612	12.0
191.08182	8.0
198.09232	0.7
199.04922	1.2
199.08728	0.9
200.07059	6.6
201.06544	6.7
201.10217	1.2
202.07098	1.4
202.08649	3.2
203.08128	49.7
204.06479	1.2
205.09724	1.4
208.09628	1.2
212.07076	0.7
213.10229	1.1
215.08150	4.0
215.11780	2.8
217.06264	1.6
217.09708	40.1
218.08116	38.8
219.07887	0.7
225.12241	1.0
226.08685	1.0
227.08171	2.8
228.06668	1.1
228.08931	0.9
229.06050	24.9
229.09634	1.0
230.08186	3.2
231.11227	5.5
232.09630	3.7
233.09218	1.4
233.12764	0.8
235.10767	8.1
237.93449	0.7
239.11768	0.9
241.09700	1.2
243.07632	9.0
243.11238	4.7
245.09145	46.3
248.12955	0.8
249.12386	1.5
257.12747	1.4
259.07248	1.4
259.10736	17.7
260.09097	8.2
261.08957	0.8
262.10681	0.9
265.15439	1.4
267.10983	2.0
271.07098	13.1
271.10394	1.5
275.13770	1.6
277.08209	25.0
277.11792	100.0
283.14420	1.1
285.12234	1.0
287.10324	1.1
291.13367	15.0
296.13577	0.8
301.11871	1.5
303.09753	3.7
303.13409	9.2
304.14459	1.4
305.11374	7.5
305.15305	3.2
306.15973	0.8
307.13235	1.5
317.15179	1.1
319.14047	1.0
320.13980	1.2
321.14529	8.3
330.16000	0.9
332.17377	1.2
334.15274	1.4
335.16174	1.2
336.16858	3.4
339.16940	0.8
347.12878	1.0
348.13312	1.4
351.16931	3.7
359.15997	1.2
360.16910	1.0
362.14792	5.7
364.16708	1.3
365.15039	0.8
366.14328	0.9
368.19635	2.7
369.17337	1.5
370.17566	1.3
375.60699	0.8
377.18732	1.2
382.17444	1.2
386.20288	1.3
388.16193	0.8
390.18292	1.5
391.18500	3.2
392.16995	3.5
394.17636	4.3
396.19162	1.6
402.18079	1.1
406.17303	1.0
408.15155	1.0
410.20633	1.3
412.18515	1.5
414.16287	5.1
414.20209	6.3
417.20352	1.5
419.18176	1.2
420.18912	1.5
422.16748	1.4
425.19907	1.0
426.19928	1.5
432.20932	1.3
438.19662	1.1
440.17981	62.7
444.21155	1.1
454.23355	1.0
458.22833	3.2
462.21945	1.6
466.19507	3.7
484.20517	4.1
500.16562	1.1
506.25122	1.1
513.24652	1.6
514.23370	2.8
531.25787	5.1
539.26001	0.9
541.24170	1.2
557.27435	6.6
559.25244	10.5
575.28333	1.6
577.26343	1.5
579.27881	3.1
585.26575	5.8
603.28040	26.7
607.27271	4.6
621.29114	14.0
633.28857	3.6
651.30200	9.9
669.30524	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91647	0.5
53.03936	1.4
55.01870	2.6
60.42229	0.5
67.05487	1.3
68.01385	1.2
70.14761	0.6
79.05479	3.7
80.05000	0.8
80.06882	0.6
83.04950	0.7
89.63159	0.6
90.82270	0.7
92.60664	0.6
93.05770	3.1
94.06555	10.0
95.04992	1.2
96.04510	0.7
96.08112	1.3
106.06555	3.8
107.04931	2.8
108.04455	1.3
108.08108	2.9
110.06047	4.2
122.06003	10.2
123.06779	1.3
124.07568	11.2
134.05971	5.8
136.03909	5.0
138.09137	9.3
150.05492	24.8
152.07063	14.4
158.06064	0.9
160.07549	0.9
171.09187	0.7
172.07562	2.7
174.05435	1.3
174.09148	3.4
175.08670	6.1
176.07094	1.1
176.09425	1.2
177.06633	1.6
178.04976	18.1
186.05565	1.2
189.10211	3.9
191.08118	5.5
192.06589	1.0
196.05994	8.0
199.08640	1.1
200.07082	3.6
201.10214	1.2
201.13876	0.8
202.07108	1.9
202.08725	3.1
203.08130	68.7
204.06537	27.5
205.09747	0.7
213.10117	4.7
215.11797	1.4
217.09692	30.6
217.16229	0.8
218.08138	2.7
228.06573	1.1
229.06023	7.3
231.07790	0.8
231.11276	4.2
233.09164	1.5
234.09799	6.0
235.10739	30.2
241.09676	1.6
243.07620	1.5
243.11272	0.8
245.09163	57.9
245.12996	3.0
246.07581	6.9
246.13692	1.3
247.10739	2.7
257.12793	5.5
257.31757	0.7
259.10770	7.9
261.08578	1.2
261.12317	6.7
263.10211	68.2
265.11786	1.0
269.09302	1.1
271.07138	4.5
271.10690	0.9
274.13086	13.4
275.13837	42.9
277.08246	1.0
287.10196	26.0
289.08237	1.4
289.11700	3.3
301.11853	2.9
305.11267	100.0
306.11447	1.0
307.12869	4.5
333.10977	0.7
339.16931	1.3
380.19684	4.1
381.18051	1.5
398.20782	5.7
408.19135	5.0
408.55643	0.8
424.18542	3.1
426.20154	51.3
430.15921	3.6
444.21252	22.2
452.18051	4.2
456.21362	1.3
470.19159	4.7
474.22043	1.1
500.16443	2.9
603.24408	7.8
621.25452	26.3
639.26556	13.8
651.25977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.6
53.35108	2.5
55.01867	28.7
55.05507	51.6
57.03403	3.0
57.07061	3.0
63.81863	2.6
67.05489	43.1
69.03426	4.3
69.06718	2.9
69.07052	19.4
79.05479	64.3
81.03411	12.9
81.07038	93.9
83.04991	16.1
83.08606	25.5
85.02878	3.3
91.05454	44.1
93.07032	43.4
95.04951	33.3
95.08579	19.5
97.06521	5.7
97.10143	30.9
103.80344	3.4
105.07008	23.6
107.04964	23.3
107.08578	26.6
109.06516	18.0
109.10143	17.1
111.04429	16.2
111.08067	4.5
117.06994	32.5
119.08548	37.5
121.06462	5.7
121.10120	12.4
123.04353	4.0
123.08048	14.7
125.09612	19.2
129.06992	5.0
131.08556	17.2
133.06483	5.1
133.10109	13.4
135.08069	7.4
135.11658	5.5
137.09573	7.9
143.08577	6.7
145.10100	22.3
147.08035	19.8
147.11687	3.6
149.09647	5.6
153.09074	4.7
155.08464	3.1
157.10117	7.0
161.09586	15.8
163.11172	18.1
170.61517	3.1
171.11673	4.0
189.11159	13.1
193.12236	15.3
223.13326	4.5
273.18338	36.6
291.19513	100.0
309.20532	4.0
346.22202	3.5
501.90707	3.7
566.75000	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	668.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83220	1.7
52.57724	2.1
56.88383	1.7
57.03428	7.5
57.07062	4.4
58.06595	32.4
59.07373	14.0
59.25630	1.5
60.08159	4.5
61.25211	1.5
67.05511	3.3
69.07082	2.0
69.94701	1.7
75.04490	1.9
81.07041	3.4
87.04458	3.1
88.26969	1.7
93.07008	2.2
95.08573	2.9
113.06019	2.7
120.84875	1.9
144.10213	13.6
162.11252	3.1
236.14909	100.0
286.04422	1.9
412.27036	2.9
430.27872	8.3
456.37027	9.6
474.37866	15.4
668.50885	97.2
699.72784	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	669.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50354	0.3
57.03416	0.5
64.74082	0.4
67.05500	0.7
69.03400	1.9
91.05453	0.6
92.08656	0.9
93.07023	1.8
93.76347	0.4
94.06534	0.8
96.04445	0.5
102.71577	0.4
118.06476	0.5
121.02800	0.5
122.06025	3.3
123.08086	0.5
124.07555	0.6
127.04048	0.4
136.07530	4.1
147.04372	0.6
162.05501	1.0
162.07916	0.4
162.09096	1.5
163.03874	0.6
164.07050	8.2
172.07597	0.5
185.07092	2.5
186.05525	0.7
186.07822	3.1
187.08696	5.7
189.06580	0.5
189.10173	0.9
190.08681	1.1
191.08226	0.7
198.16212	0.5
199.04994	4.9
200.05785	2.8
203.08139	6.0
204.06519	0.5
205.09642	0.6
208.09682	0.5
213.06572	3.8
214.07376	1.9
215.08147	6.1
217.06091	3.8
217.09729	4.1
218.06784	3.3
218.08322	2.3
229.06070	3.3
231.07712	0.9
233.09090	5.1
235.10721	1.0
241.09709	1.0
243.07640	0.6
245.09196	4.4
247.07057	0.7
249.08566	0.5
251.10149	0.9
259.07074	9.0
259.10800	1.8
260.09116	0.9
263.10297	2.3
271.07043	0.6
275.06662	1.0
277.08160	100.0
277.11621	8.8
278.08545	1.0
289.12115	0.8
291.13507	0.5
301.11642	0.8
302.12949	0.7
303.09903	0.6
303.13370	0.5
305.11362	1.0
305.15012	0.6
307.13107	2.4
316.14548	0.6
317.15488	0.7
322.15396	1.8
326.11462	0.7
336.13629	0.6
337.14133	0.8
338.14929	0.8
340.16827	0.6
344.13855	0.7
345.14874	0.6
348.13452	1.0
361.14285	1.0
362.14984	1.0
364.16644	0.6
365.13608	0.7
366.14404	8.8
376.16394	0.8
378.18027	2.2
389.13434	0.5
390.18173	4.6
392.16629	0.5
393.13028	3.2
393.97079	0.5
394.13379	0.5
394.17844	0.6
404.15948	11.2
408.19022	0.8
414.16364	24.1
420.15079	0.7
422.16888	5.3
426.20410	0.6
440.17947	6.5
450.16470	1.7
451.17218	0.8
452.17947	6.2
466.15781	1.0
468.17453	0.7
484.20752	0.5
514.18115	10.8
541.24176	2.1
559.25305	0.7
589.26074	3.5
603.27264	0.7
621.29199	0.6
633.25385	4.2
651.26489	23.2
669.28424	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	667.3302
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
51.76385	2.5
55.01857	2.4
55.05502	3.6
60.71267	2.8
61.02892	3.0
67.05491	14.6
69.03413	5.8
71.45721	2.8
72.06275	2.5
73.02917	3.1
78.49802	2.6
79.05496	22.8
81.03407	12.4
81.07040	20.0
83.04919	3.5
85.02908	4.5
85.33284	3.2
90.72066	2.6
91.05460	15.9
92.09309	3.6
93.07023	18.1
95.04961	7.0
97.02880	5.1
97.06504	4.1
105.07021	7.1
107.04942	5.7
107.08568	4.3
119.08547	4.9
121.10124	3.7
129.07008	5.2
131.08621	3.6
133.10121	4.5
135.04384	3.8
149.30266	2.7
163.03874	18.7
214.94359	2.8
291.19565	2.9
316.77829	3.3
369.08105	3.0
439.19409	6.8
506.95035	4.1
512.13635	3.6
667.33063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84154	1.4
55.05491	2.1
57.03444	1.8
67.05483	1.7
69.03410	2.5
73.02876	1.9
79.05470	4.2
79.37466	2.1
81.03385	7.8
81.07018	4.0
83.04966	3.5
85.02889	9.2
91.05460	9.9
93.07008	3.6
97.02878	4.0
97.06524	3.3
99.04400	2.3
103.05431	17.9
105.07039	2.9
107.04960	2.3
107.08626	2.2
115.05402	2.8
117.07008	10.0
120.01402	1.6
121.06483	2.1
127.03893	3.0
128.06210	12.8
129.07002	3.3
131.04904	51.2
131.08580	2.0
137.05956	61.8
143.08537	35.0
147.08090	2.0
149.05984	2.6
149.09596	4.2
151.07520	11.1
161.05956	4.4
163.07513	79.9
171.08025	52.2
175.07507	100.0
177.09047	36.1
188.08368	3.0
189.09055	7.4
201.38814	1.8
203.10620	32.9
211.07292	2.0
216.83272	1.9
217.04973	4.5
225.08974	2.4
233.09537	2.2
248.38965	2.1
253.12274	3.9
263.12717	59.2
267.09937	2.1
285.11005	4.6
292.31073	2.2
297.11365	2.4
313.14325	2.7
355.15305	3.0
370.55209	2.1
371.45169	2.0
373.16327	16.2
385.16257	3.9
667.38251	8.0
668.38922	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	666.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	9.7
57.07072	6.3
58.06591	36.9
59.04989	10.3
59.07373	12.0
59.68129	1.2
60.08152	7.9
60.39730	1.2
65.94572	1.2
67.05493	2.5
69.07072	1.4
71.25476	1.4
72.56052	1.4
75.04453	1.4
76.40353	1.6
78.26464	1.3
81.07066	5.3
81.79799	1.6
83.04986	1.7
83.08603	1.4
85.02902	1.6
85.10184	1.9
87.04464	6.7
90.53226	1.6
91.05470	2.3
91.24771	1.3
92.08675	3.4
93.07059	1.8
95.08591	2.1
117.09099	1.4
123.44767	1.3
131.08601	1.3
144.10190	13.0
162.11214	3.2
175.13280	1.7
180.45779	1.8
236.14899	93.0
347.69763	1.6
428.26266	11.9
436.58829	1.7
456.36807	5.8
474.37766	13.8
666.49341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83932	2.4
53.00271	3.3
54.82626	2.5
55.01857	5.2
55.05496	19.2
55.95894	2.5
57.03423	19.6
57.07066	62.8
58.59903	2.5
58.72363	2.4
59.92078	2.5
63.06815	2.4
67.05487	30.0
69.07037	12.4
69.15742	2.4
71.08605	39.0
79.05468	31.9
81.07051	36.5
83.04957	5.7
83.08614	12.1
85.10180	11.4
91.05455	47.8
93.07006	24.9
95.08578	28.7
97.06496	3.3
97.10137	4.3
103.18121	2.8
105.06985	23.8
107.08590	6.4
109.10113	6.1
115.05420	5.5
117.06983	44.2
119.08517	11.8
121.06475	3.0
121.10110	4.3
123.44875	2.8
129.06998	24.5
131.08540	20.1
133.10020	2.8
135.08041	6.0
141.06940	14.0
143.08546	18.9
145.10098	13.9
155.08517	15.2
157.10074	6.6
159.11618	3.1
167.08553	4.4
169.10126	6.8
171.11676	5.5
181.10100	4.2
183.11707	5.1
185.13336	4.6
187.11147	5.9
189.09160	3.4
199.11137	3.9
201.12665	3.6
203.14330	3.2
283.20511	7.1
293.17395	12.3
293.41943	3.3
301.21494	4.3
313.27292	100.0
339.46542	3.0
375.25110	6.4
417.53781	3.4
531.40338	21.1
613.48071	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	665.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05507	12.2
58.76157	0.5
67.05493	5.4
67.72184	0.6
69.03414	2.8
69.07056	2.8
69.43554	0.7
71.04965	1.0
73.04636	0.6
79.05468	4.1
80.05029	0.6
81.03408	4.4
81.07047	5.7
83.04964	0.7
83.08610	3.5
85.02902	3.3
91.05472	4.3
93.07029	1.6
95.08588	2.9
97.02885	1.3
97.10166	2.8
99.04440	1.2
105.07000	2.7
107.08556	1.0
109.02851	1.1
109.10129	1.4
115.05482	0.9
117.07010	0.8
119.08575	0.9
123.04431	1.1
127.03926	1.5
129.07001	1.4
131.08476	0.8
133.06500	0.9
136.29053	0.6
140.45164	0.6
141.06987	3.1
145.06516	1.6
145.10162	0.8
147.08142	0.9
147.11722	1.1
153.06975	3.3
155.04959	1.0
155.08588	0.8
157.06464	1.5
160.05157	0.6
161.05954	13.5
163.03905	2.8
166.07323	0.6
167.08583	1.1
169.06490	1.7
171.04352	0.7
173.05962	100.0
175.03851	0.9
175.07541	2.8
181.06506	5.5
185.05980	3.0
187.03851	0.7
187.07512	9.3
189.05482	4.9
195.08012	2.7
197.05898	4.6
199.03928	1.1
199.07561	17.2
201.05446	51.1
201.09138	1.1
202.05676	0.7
203.06898	0.9
207.08228	0.7
209.05954	1.1
210.06905	0.8
211.07564	10.8
213.05434	9.7
213.09015	8.7
215.03461	1.0
215.06973	5.2
217.04935	91.0
223.07565	1.5
225.05486	3.8
225.09148	4.3
226.06248	1.3
227.06958	9.1
227.10548	0.9
229.04977	11.1
231.06459	1.4
232.63756	0.7
239.07045	2.8
241.08589	1.3
241.12238	1.0
243.06691	1.3
251.10719	0.8
253.08611	1.0
255.13840	0.9
265.12253	2.8
267.13678	6.1
275.10788	0.9
283.13284	2.8
285.14789	4.1
291.13641	0.9
293.11740	1.0
309.14948	3.7
311.12750	19.0
311.16238	0.8
313.14322	22.4
327.15961	2.4
329.13785	62.6
337.14294	14.5
347.14883	1.6
350.22318	0.8
355.15353	33.8
373.16425	32.8
375.16074	0.8
491.19159	1.0
517.20654	0.9
535.21210	3.4
648.96844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81483	1.5
55.05523	2.1
57.03426	2.1
57.07059	1.7
58.71346	1.6
61.02908	2.7
66.20072	1.4
67.05494	7.1
73.02914	2.1
79.05465	7.2
79.75382	1.5
81.03351	1.8
81.07037	18.2
81.36839	1.6
85.02905	3.4
86.73884	1.5
91.05472	2.8
93.07044	3.2
95.08601	3.0
97.02897	6.8
107.08588	2.1
109.06496	4.3
109.10149	1.8
112.28371	1.6
119.08534	2.4
127.07532	2.2
133.10098	2.2
140.16469	1.6
163.38408	1.8
166.46498	1.8
243.08409	1.7
275.98630	1.9
305.39410	1.7
331.09973	8.0
385.14911	7.2
591.11548	2.1
628.10980	2.1
631.00903	1.8
663.37079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29350	1.0
57.03426	1.7
58.90143	1.2
61.02908	8.6
67.05485	9.3
69.03418	2.0
73.76292	1.3
79.05473	6.6
81.03392	2.1
81.07040	13.2
85.02901	7.8
91.05476	2.5
93.07043	3.6
97.02879	2.0
105.07037	2.6
109.06516	2.3
119.08578	2.2
119.25569	1.6
121.10153	2.6
134.14211	1.5
141.46439	1.4
183.10078	2.1
289.10065	1.6
385.14673	11.4
472.71320	1.7
519.29596	3.4
663.37085	100.0
664.37769	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	59.7
64.80616	0.6
83.49896	0.6
87.04450	1.1
89.30893	0.8
91.05445	4.6
95.04943	1.0
105.07018	1.3
119.08588	0.9
132.09303	0.9
138.70320	0.7
147.11687	9.4
152.06172	0.8
153.06953	1.4
163.93620	0.7
185.36598	0.9
191.83405	0.9
228.09453	0.9
229.10014	0.9
233.03552	6.6
251.04620	18.7
307.10876	1.1
327.07758	100.0
328.07953	0.8
383.14008	73.7
428.06314	0.9
439.20248	79.4
495.26538	58.0
540.75476	0.8
551.32770	57.8
607.39038	59.3
616.58948	0.8
663.45258	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	664.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.8
55.05743	1.5
55.82532	1.3
57.03426	21.6
57.07065	41.0
58.06585	8.1
58.94738	1.2
59.04979	3.4
59.07372	2.0
59.09018	1.1
60.08150	1.6
61.02911	8.6
61.45668	1.2
67.05493	100.0
69.03409	1.7
69.07043	9.6
71.04983	3.0
71.08614	29.4
73.02872	2.1
75.21546	1.4
79.05473	3.7
80.11779	1.4
81.07037	23.6
83.08603	13.9
85.02895	5.8
85.06528	2.0
85.10159	10.1
86.96160	1.3
91.03978	1.7
91.05457	2.0
91.85379	1.4
92.08620	2.8
93.07008	3.0
95.08588	17.7
97.02858	5.4
97.10145	2.7
107.08601	1.7
109.10144	89.7
111.08070	1.6
119.08562	9.0
119.14314	1.6
137.09595	2.1
155.10657	2.4
164.97676	1.4
173.11678	21.0
181.88361	1.3
201.31010	1.6
201.79298	1.6
229.14305	77.5
236.14882	18.3
239.23712	2.1
313.27304	81.2
321.30206	1.5
373.37918	1.9
467.37228	70.9
664.47717	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	663.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.03410	1.6
60.52613	1.2
61.02911	2.4
64.18976	1.2
67.05489	7.1
67.16920	1.2
69.03390	2.6
69.07045	1.5
73.02899	2.7
79.05475	6.7
81.03394	2.4
81.07025	6.7
85.02905	5.3
90.90463	1.2
91.05451	3.1
93.07017	5.8
95.08590	1.4
97.02855	2.5
105.07004	2.9
107.08597	1.9
119.08545	2.9
121.10099	1.6
135.11644	2.4
147.11641	2.1
170.29634	1.5
220.71379	1.5
247.13066	1.7
257.78384	1.5
277.14026	1.4
369.86789	1.6
385.38483	1.8
439.19345	13.7
465.21060	10.0
513.07458	1.9
524.09552	1.7
663.33337	100.0
665.84247	2.0
694.37836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.81868	5.5
55.01867	13.2
55.05508	22.7
57.03426	38.4
59.64141	4.6
65.70387	6.5
67.05499	50.8
69.03419	27.8
69.07053	9.2
71.04964	7.0
73.89103	4.5
74.05539	5.0
79.05479	68.6
81.03392	100.0
81.07034	44.6
83.04977	13.8
83.08607	12.8
85.02873	50.6
91.05465	74.8
93.07035	53.3
95.04957	34.8
95.08587	22.4
97.02866	23.3
97.06516	12.8
97.10148	5.6
105.07034	61.1
107.04960	27.7
107.08587	23.3
109.02886	9.9
109.06516	10.6
111.04431	7.9
115.05415	7.3
117.07018	33.7
119.08562	21.8
121.06525	11.1
121.10109	23.0
127.03881	7.4
129.07024	45.1
131.08571	32.6
133.06471	42.4
133.10115	29.5
135.11670	8.4
142.07733	6.2
143.08527	7.4
145.10172	8.3
147.11705	12.5
149.09584	11.1
155.08479	7.0
157.10130	28.5
170.18758	5.9
171.07982	6.3
171.11674	7.4
175.11227	8.8
181.10170	7.1
193.12201	13.4
199.11180	10.8
211.13254	11.9
217.12193	12.9
219.11516	6.0
255.15714	6.4
267.15802	7.6
429.20978	5.7
439.36179	5.7
465.27740	5.8
483.27136	9.2
501.27618	8.9
566.35846	6.1
627.02667	6.4
645.32275	13.3
652.67621	6.0
663.33215	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	662.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78893	0.6
57.07061	1.5
57.49826	0.6
60.08161	8.1
65.47017	0.7
67.05495	1.2
69.41113	0.6
71.07365	4.8
81.07056	1.0
81.51693	0.6
86.09696	46.5
87.04455	4.3
93.07011	0.9
95.08582	0.8
98.98448	4.0
102.55657	0.8
104.10730	2.9
107.08524	0.8
107.47894	0.7
116.98392	0.7
119.08525	0.8
124.99984	30.4
183.71255	0.8
184.07323	100.0
236.57515	0.7
358.43832	0.7
516.93341	0.8
662.43884	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	661.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
55.80930	0.5
60.95750	0.6
64.86913	0.5
67.05496	1.2
69.95675	0.6
79.05480	1.2
81.07015	2.1
90.25472	0.5
91.05492	1.1
92.09359	1.4
93.07024	1.6
95.08560	1.1
95.37874	0.6
104.52757	0.6
104.69383	0.6
105.07058	1.0
107.08564	1.3
121.10129	0.6
123.81059	0.6
135.11694	1.0
184.76259	0.6
206.43420	0.8
243.08374	1.1
303.02347	0.7
443.24112	2.6
463.27182	1.0
464.26733	0.8
499.26547	3.5
633.32111	1.4
661.31879	100.0
662.32068	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	662.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06120	1.1
53.03941	2.7
54.82058	1.1
55.01853	5.1
55.05257	2.2
55.05502	27.3
56.13243	1.2
57.03431	31.9
59.04992	1.5
61.02924	10.6
65.03931	2.1
66.63509	1.1
67.05139	2.9
67.05492	68.6
69.03410	6.5
69.07059	18.7
71.01338	2.2
71.04964	8.8
73.02926	1.8
79.05474	75.5
79.27007	1.4
80.28514	1.3
81.02927	2.9
81.03401	72.3
81.07037	50.1
83.04964	28.7
83.08601	31.3
85.02888	25.6
85.06525	5.9
91.03942	2.3
91.05459	51.8
93.07021	69.6
95.04949	38.3
95.08575	16.0
97.02888	7.3
97.06490	20.3
97.10157	11.7
99.08080	2.0
103.05466	1.6
105.07018	28.9
107.04925	11.2
107.08576	37.5
109.06523	7.8
109.10151	8.7
111.04411	1.8
111.08072	13.9
113.05999	2.6
117.07013	7.4
119.08568	29.1
121.06505	6.1
121.10136	14.7
123.08039	1.7
123.11707	1.8
125.09595	1.6
129.06969	15.1
131.08572	11.9
133.06451	2.2
133.10107	13.4
135.08080	2.1
135.11662	48.2
137.09628	3.0
142.07716	2.3
145.10109	11.5
147.08133	1.7
147.11658	14.5
149.09587	8.2
153.12689	1.6
157.10117	18.6
163.11157	8.1
175.11154	18.7
181.12204	5.1
193.12222	42.3
211.13280	41.6
224.92136	1.6
255.15828	55.8
255.18414	2.1
267.15863	24.3
283.15308	2.7
285.16989	27.6
421.25885	1.5
447.27341	72.1
465.28381	100.0
490.17236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.05511	43.6
57.03431	28.3
57.07068	68.3
67.05491	89.6
67.82598	4.7
69.07049	37.6
71.04987	6.5
71.08622	62.1
79.05482	38.1
81.07050	85.2
83.08613	36.4
91.05477	27.2
93.07029	36.5
95.08590	43.5
97.06497	6.4
97.10165	26.3
105.07023	12.1
107.08585	22.5
109.06541	5.9
109.10156	48.2
119.08578	8.8
121.10114	9.7
125.09595	6.3
133.10130	11.2
145.30553	5.9
149.13158	5.5
151.11362	5.5
158.89937	5.9
223.72099	5.5
227.12804	13.8
229.14334	34.2
269.17523	28.2
277.21588	7.3
290.45377	6.8
296.07443	6.2
313.27325	100.0
351.25256	7.6
412.52673	5.7
467.37198	26.9
507.40543	81.5
589.48328	11.5
607.49158	10.7
625.43701	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	661.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81891	0.6
72.44540	0.5
92.09277	1.1
100.57996	0.6
122.44573	0.6
158.05795	2.5
160.07417	2.5
186.05235	15.0
203.07961	3.6
237.06717	0.7
285.08432	5.0
287.10086	3.5
294.19260	0.7
296.09186	0.7
303.08310	1.2
311.09604	0.6
313.11597	1.1
316.10031	0.6
327.13153	1.4
356.95392	0.6
363.11990	1.3
376.12225	1.0
402.14288	1.1
424.17917	2.5
442.18375	0.7
448.14706	100.0
449.15326	2.9
450.15970	6.1
476.18130	0.9
493.18091	12.8
494.18936	36.6
523.22754	0.7
587.24017	0.9
617.25995	2.2
631.27191	27.3
661.28400	73.2
662.29700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01845	0.4
55.05504	3.7
57.03420	0.4
69.03415	22.6
71.04960	0.8
72.61352	0.3
73.95321	0.4
81.02929	0.7
81.03397	18.5
81.96786	0.4
83.04960	8.3
85.02898	2.7
85.06516	1.7
85.52680	0.3
89.56834	0.4
91.05415	0.4
97.02888	2.7
99.04439	4.3
103.05428	0.3
107.04901	0.6
109.02843	0.8
111.04399	0.7
113.05988	3.4
119.04951	0.4
127.03875	3.4
129.07034	0.4
131.04892	2.0
131.07054	0.4
133.02844	0.5
135.04391	2.4
137.02321	6.8
137.03281	0.6
137.05931	3.1
139.03905	0.4
139.05392	0.6
141.07005	1.5
141.45293	0.4
145.02792	2.0
147.04369	2.0
147.75253	0.4
149.02362	1.6
153.06927	0.7
157.06433	0.8
161.02319	0.9
163.03870	18.7
163.05183	0.8
167.03554	0.4
167.04907	1.8
169.06468	4.6
175.03859	0.8
177.01785	0.5
181.06430	2.0
185.05966	5.0
185.61823	0.4
189.09128	0.5
195.04376	3.4
197.05951	8.9
201.05508	0.5
203.03284	0.6
203.76424	0.4
205.01347	0.6
213.05428	20.6
215.07025	6.4
223.03854	6.9
225.05507	3.9
231.02850	0.8
241.02409	0.8
241.04887	25.2
243.06470	4.5
243.08556	0.6
251.03377	3.3
253.04796	3.2
259.05893	2.8
269.04388	36.0
271.05914	4.9
279.02838	0.5
287.05377	4.7
297.03882	100.0
298.04160	2.0
307.07886	2.8
315.01184	0.6
315.04922	18.6
349.06863	0.5
371.15973	0.4
377.06360	2.3
395.07874	0.6
441.08096	0.7
451.58536	0.4
459.09155	15.4
477.10208	18.4
495.10992	1.8
539.11389	0.7
557.13043	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	660.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01860	4.9
55.05504	19.2
55.30037	0.9
57.03167	1.5
57.03428	21.4
57.07072	1.2
59.04986	1.2
59.60156	1.0
61.02909	5.2
65.03924	1.5
67.05498	36.1
68.43393	1.0
69.03425	1.3
69.07056	15.6
69.42326	0.8
71.01340	2.4
71.04976	5.3
79.05473	43.8
81.03407	12.7
81.07042	26.6
83.01331	7.8
83.04968	18.7
83.08599	10.3
85.02883	6.0
91.03947	1.4
91.05467	19.5
93.07023	54.4
95.04953	6.8
95.08596	9.4
97.02893	4.2
97.06508	12.2
97.10156	9.3
99.04430	4.5
99.63615	1.0
103.03932	1.8
105.07013	10.1
107.04929	9.4
107.08579	33.2
109.06503	7.5
109.10155	6.8
110.62889	1.0
111.04455	1.5
111.08054	2.2
117.07018	9.0
119.08586	9.7
121.06496	4.2
121.10097	11.5
123.04432	1.1
123.08051	6.6
125.09621	1.9
130.07703	1.6
131.08562	2.5
133.10088	4.8
135.08069	4.4
135.11673	39.5
137.09616	2.0
145.10114	18.5
147.07997	1.7
149.09669	1.3
156.54974	1.0
163.11162	22.4
173.09612	1.0
181.12224	7.0
209.11754	4.4
227.12727	1.8
255.15872	40.2
263.26648	1.3
265.14185	1.2
283.12253	1.5
283.15350	36.6
319.51688	1.0
358.83389	1.1
445.25589	4.6
463.26825	100.0
464.27444	1.8
477.65417	1.1
499.81161	1.2
618.22949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99693	1.5
56.94728	1.7
65.32790	1.5
66.39572	1.8
72.90575	1.9
79.32098	1.6
84.96010	1.7
98.88139	2.0
137.05977	2.5
147.04373	4.1
152.82947	1.8
158.05783	7.7
160.07401	2.2
163.75560	1.9
186.05220	16.4
198.58801	2.0
203.07921	1.8
204.06348	2.6
255.06044	2.0
285.08536	4.2
335.77960	2.3
363.12045	13.5
417.53622	2.1
418.13953	2.5
446.94678	2.1
448.14706	100.0
466.18564	2.7
491.16547	12.7
492.17285	39.3
626.52594	2.5
629.25366	31.3
659.26721	79.2
660.26813	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	659.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44805	0.6
55.01859	0.8
55.05505	1.7
56.96561	24.4
62.84303	0.8
63.24797	0.8
63.45803	0.7
67.05482	1.6
69.66040	0.7
71.95261	1.5
72.96025	1.0
74.97615	1.0
79.05471	3.4
81.07028	1.6
81.27826	0.8
88.00899	0.7
91.05479	1.4
93.07029	1.9
94.41254	0.8
95.04969	0.8
95.08617	1.1
97.96799	3.7
103.16570	0.8
105.07037	1.5
105.50190	0.6
107.08568	1.1
110.97575	1.3
113.94874	0.8
115.97846	3.6
116.98631	1.2
128.98576	5.5
133.98875	1.6
134.46495	0.9
134.99646	1.0
146.99611	7.1
160.00456	1.6
162.61688	0.9
169.01724	1.3
171.03305	1.7
173.01254	1.3
175.02844	1.5
185.04922	1.9
185.98332	2.8
187.02663	1.1
189.04276	1.9
198.05698	1.3
199.02837	1.8
199.06477	4.3
201.04265	0.8
203.05934	8.5
205.07472	1.6
213.04352	1.1
213.07990	5.8
217.03917	1.4
217.07497	6.0
219.05362	0.9
223.02742	0.9
223.10133	1.4
224.07372	0.9
225.08080	1.7
227.05925	1.3
227.09381	1.0
229.07593	1.1
231.08978	10.3
232.09804	1.0
237.04402	1.8
239.09563	8.7
241.07431	1.3
241.11078	41.2
242.08160	6.4
243.08911	1.2
245.06900	1.3
245.10632	3.3
249.08025	0.9
251.09485	1.1
253.11171	1.7
255.05382	1.0
255.09093	1.0
257.10638	8.0
259.12131	65.2
260.09271	3.7
264.12616	1.1
267.09119	1.2
269.10645	7.0
271.12296	4.0
279.09195	3.5
280.09946	3.8
281.10638	1.0
282.13818	0.8
285.10031	1.9
287.11652	4.3
297.10074	7.1
298.10767	5.7
307.15741	3.3
316.11935	4.2
325.16806	0.9
331.15643	11.0
333.20358	1.1
349.16776	62.1
367.17874	100.0
385.18890	9.5
390.19443	4.3
659.38214	52.6
660.38678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.7
53.36403	2.5
54.81915	3.1
55.05501	5.0
57.07071	66.6
64.99097	2.7
67.05481	3.9
69.07050	6.8
71.08621	49.2
74.71848	2.7
79.05472	4.8
81.07034	3.2
83.08589	4.4
85.10178	27.3
85.79707	3.2
85.93932	2.7
87.04454	5.2
88.42381	3.1
89.06017	100.0
103.66013	3.2
104.20154	2.9
105.07056	22.3
106.07327	3.9
111.11735	2.7
115.44622	3.4
121.70718	3.0
133.08572	40.0
140.75337	2.8
148.02892	2.7
177.11223	20.9
179.65427	3.0
192.25717	3.0
221.93854	3.0
283.17438	3.7
304.14328	2.9
496.70883	3.3
497.63138	3.2
521.66907	3.1
618.30493	3.4
626.99011	3.7
641.47888	16.3
658.38098	19.5
658.50482	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	658.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
53.03923	0.7
55.01858	0.8
55.05268	0.7
55.05508	12.1
56.86906	0.4
57.03176	0.9
57.03429	14.7
57.07047	0.7
61.02909	0.8
65.03915	0.8
67.05493	53.3
69.03391	0.8
69.07056	11.2
71.04974	0.7
79.05472	28.9
80.19328	0.5
81.07040	65.6
81.13099	0.5
83.04970	1.1
83.08602	5.1
85.02870	3.0
85.06531	3.3
91.03932	0.5
91.05460	13.4
93.06422	0.5
93.07022	30.7
95.04951	2.7
95.08587	31.4
97.02892	0.6
97.06480	2.3
97.10160	1.2
105.07008	9.0
107.08576	14.1
109.06502	5.9
109.10145	11.8
111.08088	1.0
117.07021	3.8
119.08565	9.2
121.10125	11.4
121.67855	0.5
123.11694	4.5
127.07516	2.6
129.05406	0.7
129.06989	2.2
131.08543	7.1
133.10120	5.5
135.04417	0.6
135.11665	5.9
141.06966	0.8
143.08542	1.2
145.10101	6.2
147.11630	4.2
149.13208	3.5
155.08545	0.7
157.10112	0.8
159.11671	3.1
161.13208	2.5
163.14784	1.2
169.10110	0.9
171.11671	2.3
173.13228	2.8
175.14723	0.7
183.10130	4.4
183.11629	1.1
185.13281	0.7
187.14804	1.1
243.20898	1.1
261.22015	3.9
280.23431	0.5
285.21979	0.5
335.25735	100.0
351.26581	0.8
353.26770	2.0
369.27719	7.8
377.26871	0.7
443.31555	4.1
461.32495	5.4
497.30743	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	658.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
53.03939	0.9
55.01868	1.0
55.05265	0.7
55.05508	13.6
57.03429	12.5
57.07063	2.5
59.13186	0.4
61.02904	1.8
63.83227	0.4
65.03925	1.0
67.05495	49.2
69.03412	0.7
69.06711	0.9
69.07054	12.7
69.07401	0.7
71.04964	1.0
71.08604	0.6
73.02892	0.7
79.05479	28.7
81.03419	0.5
81.07042	56.9
83.04978	0.8
83.08598	4.1
85.02892	2.1
85.06540	3.1
91.03944	0.5
91.05465	14.1
92.08605	0.9
93.07028	28.2
95.04953	2.7
95.08591	35.5
97.02860	0.9
97.06493	2.2
97.10151	2.1
101.02361	0.5
105.07018	10.8
107.08584	16.2
109.06504	5.0
109.10149	14.2
111.08061	0.8
117.06989	4.4
119.08577	10.2
121.10137	11.3
123.08064	0.9
123.11692	3.8
127.07526	2.1
129.05424	0.8
129.06985	2.0
131.08553	8.1
133.10129	5.6
135.11679	6.9
137.13216	0.6
142.16249	0.5
143.08566	1.6
145.10114	5.5
147.07991	0.5
147.11681	4.0
149.09563	0.6
149.13222	3.2
151.11115	0.5
157.10133	2.0
159.11623	2.9
161.09567	0.5
161.13252	2.9
169.10114	0.8
171.11732	0.6
173.13225	3.4
177.16425	0.5
181.10179	0.6
183.08757	0.4
183.10167	2.6
183.11609	0.4
185.13251	1.7
187.14784	1.5
197.13255	0.6
199.14833	0.6
201.11166	0.9
201.12885	0.5
232.69670	0.4
243.20981	0.7
261.22046	3.1
335.25757	100.0
336.26147	1.0
351.26810	2.5
353.26804	2.1
363.25345	0.5
369.27823	5.7
377.26703	1.0
381.05841	0.5
443.31467	4.0
461.32327	4.5
497.31064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.6
55.05508	0.6
57.07070	8.3
58.06597	2.9
67.05502	0.8
70.06581	23.1
71.08610	3.6
75.76228	0.5
79.05440	0.5
81.07045	0.9
88.07619	22.8
91.05479	0.7
93.06992	0.8
95.04905	0.5
95.08601	0.6
102.09167	21.4
105.03408	0.6
105.07069	0.6
124.56212	0.5
131.04936	0.8
144.95486	0.5
146.11699	0.5
147.04453	0.8
149.02328	55.0
175.03888	2.6
177.05446	1.1
193.04939	72.2
212.23676	0.9
219.06612	2.3
225.05452	0.8
237.07527	20.3
249.94405	0.5
256.26297	47.3
269.04498	3.0
297.04007	3.3
300.29007	1.3
313.07220	2.7
327.10895	0.6
341.06528	13.8
343.15430	0.6
359.07678	8.2
385.09106	26.9
416.49802	0.6
429.11743	29.4
429.17453	1.1
430.78461	0.6
449.85590	0.8
493.36868	0.5
640.34106	0.6
658.35742	100.0
659.35315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01867	3.0
55.05507	13.3
57.03431	12.9
57.07043	0.9
61.02923	1.4
64.34642	0.7
65.03929	0.9
67.05494	42.7
68.19509	0.8
69.03415	1.0
69.07058	11.2
71.01351	3.0
71.04976	1.8
79.05478	49.9
81.03400	5.9
81.07040	31.3
83.04966	12.5
83.08601	4.6
85.02875	1.5
85.06544	1.8
91.05463	35.4
93.07025	59.7
95.04952	11.8
95.08585	15.2
97.02901	0.8
97.06514	7.3
97.10152	6.2
99.08099	1.4
105.04483	1.0
105.07015	23.9
107.04958	3.3
107.08578	21.3
109.06521	3.4
109.10167	3.5
111.08098	1.2
117.07028	7.1
118.24722	0.8
119.08575	15.0
120.94315	0.8
121.06509	1.3
121.10136	4.6
123.08058	3.0
129.06952	9.9
131.08568	3.3
133.10126	6.9
135.11681	21.7
137.63708	0.8
143.08560	4.6
145.10104	8.5
145.28857	0.7
147.08052	0.9
147.11678	17.2
147.14404	0.9
161.09636	1.1
161.13235	4.7
163.11176	4.2
171.11650	9.5
181.12250	3.1
181.15302	0.7
189.12776	4.3
190.99072	0.8
207.13737	7.5
225.14886	1.2
232.41716	0.8
255.15836	20.9
281.17450	17.3
363.32047	0.8
461.28925	100.0
462.28909	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93950	4.3
55.05512	40.1
57.03427	21.0
57.07069	56.1
59.04986	6.0
59.27657	4.0
67.05503	51.0
69.07051	29.0
71.04984	5.0
71.08619	35.9
79.05464	45.6
81.03426	6.1
81.07035	100.0
83.04970	20.4
83.08622	21.2
85.10163	25.8
88.00815	4.7
91.05464	29.1
93.07027	24.3
95.04970	10.2
95.08594	32.7
97.10160	32.6
105.07005	9.4
106.56001	4.4
107.04961	5.5
107.08599	21.8
108.46940	4.1
109.06492	7.9
109.10154	19.4
111.04443	8.8
111.08090	5.2
117.06989	7.1
119.08567	35.8
121.06499	6.3
123.08054	26.0
125.09625	8.7
131.08580	12.0
132.60631	5.0
133.10223	4.9
135.11682	8.9
143.08554	8.0
145.10112	19.7
147.08006	10.2
160.56737	4.6
163.11212	18.9
189.11241	9.3
224.21712	4.5
227.12813	8.8
273.18515	25.0
291.19470	62.2
296.74509	5.3
313.27328	49.2
316.27032	5.6
365.23169	19.8
383.24429	7.6
603.46014	20.6
621.47009	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	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15022	3.1
54.81888	3.3
55.05508	16.4
57.07061	22.7
59.04977	4.3
67.05499	100.0
71.01830	2.9
71.08614	13.1
81.07041	21.5
83.08615	7.3
85.10188	3.8
91.05488	6.0
93.07000	3.5
95.08609	14.9
96.03123	3.0
105.92341	3.2
109.10141	77.4
162.07364	3.6
173.11661	6.8
342.00204	3.3
383.24301	35.1
467.37311	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	657.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05502	0.4
67.64314	0.4
79.05479	1.1
91.05481	0.7
92.85165	0.5
93.07038	1.2
95.08601	0.5
98.66935	0.6
105.07008	0.9
131.08525	0.7
157.08006	0.5
165.52444	0.5
181.70937	0.5
213.96440	0.6
231.57915	0.6
240.86674	0.6
311.74271	0.5
331.18729	3.0
349.19815	2.7
365.94479	0.7
657.39685	100.0
658.39453	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	658.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85537	1.5
51.30111	1.5
53.03936	11.5
55.01868	14.4
55.83762	1.4
56.26309	1.4
57.03426	9.8
61.02909	10.3
66.34708	1.5
68.99770	7.1
69.03106	2.1
69.03425	28.9
69.09964	1.6
71.01354	1.7
71.04974	3.3
73.02908	12.6
81.03407	40.0
85.02892	81.8
87.00812	43.3
91.03923	2.8
91.05467	7.4
93.07053	2.5
95.01310	2.2
95.04967	2.5
97.02878	46.3
99.04438	10.9
103.03921	7.4
103.05453	11.5
105.01828	18.3
105.06993	10.9
107.04918	4.1
109.02868	36.2
115.03926	2.0
115.05410	3.7
117.01823	3.3
117.06969	2.6
119.04888	9.5
121.06483	12.1
127.03883	33.9
129.01808	4.1
129.06934	2.4
131.04921	32.1
132.87517	1.6
133.02795	2.2
133.06467	9.0
135.04419	4.1
137.02364	2.9
137.05957	79.8
141.07021	3.9
143.04962	3.5
145.04939	7.0
145.06464	4.0
147.02876	2.2
147.04402	11.7
149.05965	39.5
151.03914	3.6
153.05458	2.1
159.02873	12.5
159.04391	14.7
160.05226	2.7
161.05946	100.0
162.06735	9.6
163.03896	7.0
163.07498	39.4
169.06479	12.9
171.02873	2.5
171.04358	3.8
173.05972	3.8
175.07541	18.1
176.04634	10.8
176.06110	2.2
177.05400	13.0
177.08978	2.0
179.07048	6.7
181.06458	1.8
187.07536	9.2
188.04631	3.3
189.03946	8.3
191.07013	70.2
191.08635	3.8
195.06462	7.6
197.05952	11.8
201.05396	4.2
201.09039	2.2
203.06995	80.1
205.08557	9.8
211.07617	3.7
215.06934	15.6
221.05925	7.7
221.08116	17.5
225.09052	7.9
227.07179	1.9
229.08516	23.8
233.08101	34.7
237.08983	2.2
245.08044	7.8
253.08536	11.6
257.07986	14.4
265.08487	2.7
267.10052	3.4
275.09180	4.3
277.08542	2.6
285.11087	26.6
297.11194	12.2
309.11166	7.2
325.10718	3.0
327.12250	24.7
339.12067	11.7
345.13303	22.5
357.13229	8.2
361.09274	4.3
379.10025	21.9
521.87018	2.0
539.15546	2.5
557.17078	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	656.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.86913	0.4
55.01868	28.1
55.05508	5.1
57.03432	5.1
57.07061	0.8
61.02906	0.7
67.05494	14.2
69.07054	5.4
71.70073	0.3
73.02908	0.9
76.98679	0.4
79.05476	16.4
81.03432	0.8
81.07037	14.9
83.04960	1.6
83.08616	3.1
85.02874	1.0
86.00339	0.4
91.05452	6.2
93.07024	13.3
95.04961	1.7
95.08588	11.7
97.02856	0.4
97.06512	100.0
97.14388	0.4
99.08056	0.4
103.05426	0.4
105.07016	4.5
106.00430	0.4
107.08577	7.0
109.06480	0.6
109.10150	3.6
117.07010	0.7
119.08578	3.5
121.10109	6.0
123.11659	0.7
125.05974	16.5
129.05453	8.8
129.06993	0.7
131.08531	2.0
133.10086	2.0
135.11688	2.8
145.10098	0.8
147.11670	1.6
149.13278	0.6
151.46022	0.4
159.11690	1.7
163.51416	0.5
172.41779	0.5
189.92732	0.4
199.09619	6.2
207.57710	0.4
236.17590	0.4
259.90771	0.4
261.22122	1.0
268.78439	0.5
335.25751	21.9
367.26212	1.7
385.27393	0.7
389.26678	1.5
459.30984	40.2
477.32007	2.5
505.38937	0.9
544.19623	0.6
656.37750	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	6.3
55.01866	6.7
55.05506	35.1
57.03421	33.7
57.06840	6.3
57.07072	92.4
67.05487	81.8
69.06757	6.6
69.07062	98.9
71.04967	25.3
71.08611	43.9
78.30907	5.9
79.05482	71.3
81.03398	14.5
81.07049	82.4
83.04970	10.2
83.08605	25.3
85.10153	14.3
91.05461	42.8
92.09307	7.6
93.07047	44.9
94.67929	6.8
95.04938	28.7
95.08585	65.8
97.06518	100.0
100.52892	5.9
105.07009	34.5
105.38582	6.1
107.04945	7.6
107.08594	27.9
109.06493	9.8
109.10168	15.3
115.07564	10.6
117.07001	9.8
129.06960	8.3
131.08482	23.1
133.10120	10.6
133.49312	6.4
138.91595	6.8
145.10117	9.5
159.11736	8.6
257.24661	7.5
273.18369	11.3
291.19482	9.1
313.27383	58.5
365.23016	7.2
408.80661	8.1
436.00189	6.9
507.40482	47.2
603.46265	8.0
621.46497	10.2
634.19641	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	656.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10694	3.3
53.03963	3.6
54.81723	4.2
55.01860	17.9
55.05512	30.7
55.05714	3.4
57.03435	28.2
57.07063	14.5
61.02920	6.1
67.05495	75.1
69.07053	25.1
71.04964	6.4
72.59155	3.5
79.05478	100.0
81.07049	67.7
81.07489	7.0
83.04967	65.2
83.08592	7.1
91.05462	25.7
93.07026	57.1
95.04952	59.4
95.08591	48.4
97.06516	61.6
105.04494	5.2
105.07017	9.1
107.04930	6.4
107.08576	36.2
109.10174	20.2
117.07024	4.6
119.08540	19.4
121.10125	28.8
123.11684	6.2
125.05983	8.7
129.05449	4.2
131.08551	14.1
133.10101	6.5
135.11635	18.9
143.07048	7.1
145.10120	8.1
147.08014	4.3
147.11667	5.3
149.13173	4.1
159.11617	7.7
161.13278	6.0
163.14857	4.4
171.11819	4.4
175.01511	9.0
181.02632	19.4
199.09610	62.7
199.70483	4.0
261.22119	27.5
314.12170	6.1
335.25748	73.2
345.51169	4.3
367.26248	14.0
459.30869	47.3
561.36835	4.3
600.25653	14.4
651.62396	4.7
656.30981	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	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49564	0.5
51.89158	0.4
53.03912	0.8
53.82946	0.4
55.01864	5.5
55.05504	33.8
57.03425	4.3
59.04987	0.8
61.02897	3.0
65.03905	0.7
67.05145	1.0
67.05493	26.7
69.03403	3.7
69.07053	9.4
71.04971	1.3
73.02907	1.1
79.05473	29.2
81.03362	1.1
81.07040	23.1
83.04955	3.0
83.08601	16.9
85.02895	5.1
85.06512	0.9
87.51848	0.5
91.03924	1.2
91.05462	26.7
93.07011	14.7
95.04959	3.9
95.08582	9.1
97.02864	1.2
97.06458	1.0
97.10148	32.3
103.05441	13.1
104.15415	0.5
105.07015	23.2
107.04939	4.3
107.08577	14.8
109.06503	3.1
109.10130	5.0
111.08054	1.2
115.05451	6.7
116.06215	1.4
117.06997	40.6
119.04884	0.7
119.08541	10.7
121.06472	2.8
121.10093	3.1
123.08105	0.8
125.09611	26.3
125.10536	0.8
128.06183	3.6
129.06985	14.3
130.07726	0.6
131.04845	1.0
131.08537	27.9
133.06473	6.0
133.10124	4.9
135.08028	8.6
137.09607	0.8
141.06960	8.0
142.07759	0.8
143.04895	0.8
143.08542	9.8
145.06471	9.5
145.10114	10.8
145.68964	0.5
147.08015	2.7
147.11743	0.7
149.02296	0.6
149.09567	2.9
153.06947	1.0
153.09090	2.6
155.08528	13.2
156.09326	0.6
157.06471	5.1
157.10130	4.8
159.08017	5.6
159.11673	3.3
161.09596	0.6
167.08542	4.9
168.09315	0.9
169.10062	8.8
170.10844	0.7
171.08061	4.0
171.10208	1.5
171.11658	5.0
173.09610	1.0
173.11807	0.6
173.13216	1.3
176.43275	0.5
179.08548	2.2
181.10065	2.5
182.10823	0.8
183.08008	0.8
183.11633	2.5
185.09599	1.1
185.13205	2.8
187.11211	0.9
187.14764	8.7
189.11160	11.9
189.12724	1.1
191.08363	0.8
193.10124	1.2
195.11642	3.8
197.09625	0.8
197.13228	8.8
199.11200	2.1
199.14922	0.6
207.11734	1.2
209.09601	0.8
209.13254	0.8
211.11102	0.7
213.12726	3.3
215.14268	28.2
221.13144	1.2
223.11174	1.4
223.14792	0.9
227.12677	14.7
227.14432	0.9
231.13646	0.7
233.15303	1.0
235.10986	0.6
237.12613	0.6
241.12161	2.4
245.13747	0.9
251.14206	0.7
253.15858	0.7
255.13718	1.3
257.15219	1.1
259.13260	0.7
269.15353	0.9
269.43854	0.6
273.14606	0.9
287.16357	0.7
321.22021	0.7
331.20377	0.7
339.23074	3.4
349.21439	6.3
357.24323	0.7
367.22528	12.1
385.23624	7.1
403.24747	2.7
441.26285	43.6
459.27322	100.0
460.27612	2.5
477.28510	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	656.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
53.79199	1.0
55.01871	6.5
57.03434	4.8
61.02924	4.8
67.05518	1.3
68.99773	1.6
69.03416	18.6
69.03696	1.0
71.04996	2.7
73.02905	6.0
79.05498	2.5
81.03394	20.5
81.03812	1.2
83.04962	1.7
83.48898	1.0
85.02887	39.7
85.03356	1.8
87.00819	19.6
87.87997	1.2
89.03896	1.6
91.05464	27.3
93.07050	2.9
93.73135	1.3
95.04972	6.5
97.02871	26.7
99.04433	8.6
99.08087	2.1
102.04701	2.9
103.05444	17.0
105.01830	12.4
105.03416	1.6
105.07030	8.0
106.92429	1.1
107.04955	1.8
109.02849	17.1
109.06521	5.4
111.04384	1.3
115.05480	5.5
117.01906	1.9
117.03391	2.6
119.04920	24.9
119.08610	2.3
121.06507	5.4
122.03645	5.9
123.04465	4.9
124.05148	1.6
127.03904	29.0
129.01848	2.5
130.04106	8.8
131.04909	20.8
133.02867	4.7
133.06485	10.7
133.10085	2.2
135.04375	2.9
137.02322	1.3
137.05954	100.0
145.02841	11.8
145.04935	7.4
145.06483	8.5
147.04393	37.7
147.08018	1.2
149.05951	12.4
150.06726	11.1
151.03877	1.6
151.07553	6.6
153.05452	2.2
158.03610	1.7
159.02911	7.4
160.05318	1.4
161.05963	18.4
162.06734	29.3
163.03865	1.5
163.07513	14.9
173.05908	16.7
175.03918	2.4
175.07553	2.5
175.14890	1.7
177.05450	19.7
179.07071	6.1
186.03040	2.3
189.05556	1.9
191.06987	14.3
193.04945	6.2
201.05424	59.9
203.07025	5.9
204.04176	5.5
205.06503	2.1
207.06561	6.1
219.06445	22.7
222.06796	2.6
231.06662	2.5
233.05997	2.8
233.08142	4.8
234.06743	2.6
234.26981	1.2
237.09082	4.5
243.06613	1.7
261.08664	1.6
262.06207	2.0
262.08902	1.8
264.07379	1.5
265.08719	8.8
277.08615	2.9
292.07318	2.1
293.08087	6.5
305.07999	1.7
307.09692	7.9
309.11148	1.3
311.09222	1.2
322.07919	1.3
323.09070	18.2
325.10709	17.6
337.10657	7.4
343.11731	13.7
355.11758	22.9
373.12650	1.3
379.10202	2.1
532.75409	1.3
613.25226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20541	0.4
52.03606	0.4
52.37608	0.5
53.03946	6.6
54.81628	0.5
55.01868	7.4
57.03427	4.8
57.76551	0.6
61.02901	3.5
62.10464	0.5
65.03916	1.0
67.05499	0.7
68.99773	2.2
69.03074	0.8
69.03419	17.6
71.01330	1.2
71.04964	3.6
73.02895	5.5
79.05480	2.5
81.03404	19.9
83.01310	0.9
83.04936	0.7
85.02894	37.2
87.00816	23.2
91.03929	1.2
91.05461	21.8
93.06997	2.8
94.04138	0.8
95.04943	6.4
97.02254	1.2
97.02872	26.4
99.04440	8.6
102.04678	4.1
103.03912	1.0
103.05449	17.3
105.01858	10.0
105.03377	2.5
105.07008	9.3
106.04136	0.6
107.04925	3.3
107.71611	0.5
109.02865	20.3
109.06496	4.1
111.04444	1.1
115.05422	4.0
117.01829	3.0
117.03356	5.6
117.07016	2.3
119.04924	28.9
121.02898	0.8
121.06474	5.2
122.03628	5.0
123.04374	4.0
123.08057	1.0
124.05195	2.5
125.05977	0.8
127.03902	20.7
129.01816	3.4
130.04123	6.9
131.04910	21.7
133.02835	8.2
133.06485	8.9
134.03571	0.5
134.49275	0.5
135.04390	3.7
137.05960	100.0
143.04884	2.6
143.05989	0.7
145.02832	11.9
145.04936	8.3
145.06468	7.8
146.03595	0.9
147.03151	1.2
147.04393	33.7
147.08041	0.7
149.05963	14.3
150.06744	9.4
151.03900	1.4
151.07545	6.0
153.05414	1.0
155.04854	0.6
158.03625	4.6
159.02866	8.5
159.04369	3.0
160.05145	3.5
161.05949	16.4
162.03096	0.7
162.06738	28.0
163.03911	1.0
163.07504	15.1
164.08305	0.8
165.05498	1.9
165.06830	0.7
169.06429	1.1
170.82289	0.6
171.04320	0.9
173.05943	18.7
175.03845	4.3
175.07521	4.4
176.04654	1.2
177.05435	21.6
177.06987	1.1
178.06192	0.6
179.07011	6.5
181.04829	0.7
186.03079	3.3
187.07564	2.2
189.03903	2.4
189.05490	2.5
191.06996	18.0
193.04924	7.6
195.06476	0.8
197.05960	1.2
201.05432	63.6
203.06995	6.1
204.04141	5.4
205.06511	4.0
207.06479	5.9
207.08101	0.8
213.03738	0.6
213.05505	1.2
215.06995	2.5
219.06453	18.7
221.05952	1.0
222.06763	1.0
223.28740	0.7
227.07101	0.9
229.08449	1.2
231.06670	5.0
233.05925	4.0
233.08070	5.3
234.06767	3.1
235.07401	0.9
237.09096	6.1
239.06911	0.7
243.06427	1.1
245.05986	1.1
247.07468	2.2
249.07381	1.2
250.06236	2.8
251.07010	2.3
257.08047	2.8
261.05511	0.9
262.06393	2.0
263.06952	0.8
264.07761	1.3
265.08536	7.2
266.09268	0.9
273.05438	0.7
275.09143	1.1
277.08466	2.9
278.05807	1.4
279.06482	1.4
279.10226	0.6
283.09494	1.1
290.05634	1.0
292.07272	2.9
293.07953	6.6
294.08734	0.7
295.09763	0.7
297.11148	1.1
305.07953	3.2
307.09561	8.4
309.11182	0.7
310.08286	1.1
311.09213	0.7
322.08017	0.8
323.09082	18.3
325.10635	17.0
337.10687	5.2
343.11752	15.5
355.11694	26.0
361.08905	0.7
373.12909	1.3
379.10031	3.6
396.97119	0.7
506.26526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.5
53.03908	0.3
55.05505	7.4
55.66628	0.3
57.03429	7.2
57.07068	64.8
61.02917	14.5
67.05491	14.0
69.03408	1.6
69.06712	0.6
69.07057	10.8
71.04974	0.5
71.08616	47.1
73.02902	5.7
75.04459	2.3
79.05463	0.9
81.03373	0.5
81.07038	20.6
83.08604	17.1
85.02415	0.7
85.02892	14.1
85.06522	0.6
85.10168	26.9
89.06000	1.9
91.03936	11.2
93.07031	0.6
95.08585	34.2
97.02870	7.5
97.06519	0.4
97.10149	6.5
97.94209	0.4
99.04444	0.7
99.11719	2.2
103.07565	0.8
105.61404	0.4
109.02850	0.4
109.09391	0.5
109.10143	16.0
111.11700	2.1
117.09109	0.4
123.11691	5.4
124.87894	0.4
125.13297	0.5
127.03887	3.5
137.13216	2.1
145.04945	3.6
151.14754	1.5
163.06038	4.2
165.16377	0.7
165.45393	0.4
171.45143	0.4
221.22559	0.7
239.23647	22.2
257.24637	4.4
313.27319	100.0
314.27673	0.6
331.28394	18.5
348.07434	0.4
364.64288	0.4
475.32480	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
57.03417	5.9
57.04233	1.5
57.07071	77.5
61.02917	24.0
61.47902	1.4
67.05487	19.5
69.03384	2.0
69.07059	12.7
71.08247	2.2
71.08618	56.4
71.76891	1.5
73.02887	12.1
79.05473	3.0
81.07037	27.1
83.08605	16.9
84.99942	1.6
85.02898	28.1
85.10169	30.3
89.06010	2.1
91.03938	21.0
91.05453	2.1
92.08768	2.1
93.07040	1.8
95.08590	41.3
97.02879	9.8
97.10159	3.5
109.10142	22.5
123.11709	4.0
127.03876	3.5
137.13237	2.2
145.04939	4.0
147.57460	1.7
163.05980	8.5
166.28415	1.6
180.25630	1.6
225.47278	1.7
239.23657	23.7
242.90900	1.8
257.24704	2.2
313.27310	100.0
331.28397	20.6
552.28290	1.7
649.56592	2.2
655.38672	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	655.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63443	0.4
53.72845	0.4
55.01862	0.8
58.27160	0.4
67.05489	2.8
69.03409	0.8
77.43648	0.4
80.95715	0.4
86.06035	0.5
92.09280	0.8
93.07040	0.8
94.06538	6.0
100.57845	0.4
101.02200	0.4
105.07005	0.5
108.08100	1.0
118.06512	0.8
119.04949	0.8
120.08105	0.8
121.06453	0.4
122.06007	18.2
122.06850	0.9
124.07589	3.4
125.05986	0.6
136.07539	3.9
137.02341	0.6
137.09648	0.6
138.09096	3.6
146.05975	0.6
148.07541	1.0
159.09232	0.6
161.10831	0.5
162.05501	0.6
162.07874	2.0
162.09132	0.6
163.08778	0.8
164.07025	7.5
171.09123	0.7
172.07559	0.7
173.07089	0.8
174.09183	2.7
175.08644	5.5
181.09775	0.6
184.07489	0.8
185.07237	0.6
185.10759	3.0
186.07877	2.8
187.08670	6.3
187.12274	1.1
188.09383	6.9
189.10234	6.5
191.08218	0.7
192.10123	0.8
194.08070	0.5
197.10780	0.9
198.07813	0.7
199.08664	5.7
200.09410	2.7
201.06451	0.5
201.10231	4.8
202.08636	2.1
203.08150	4.3
204.06625	5.5
204.08327	1.0
205.06735	0.6
205.09560	0.7
208.09732	2.5
211.08673	1.0
211.12280	1.0
212.09435	0.8
213.06598	1.0
213.10214	6.9
214.11020	1.1
215.08195	1.1
215.11731	8.9
216.08971	2.3
217.09698	29.9
218.10092	0.7
223.08667	0.7
225.10216	2.6
227.08131	5.1
227.11734	1.9
228.12514	0.6
229.06171	0.6
229.09709	0.6
229.13322	1.1
231.11226	2.6
234.09972	1.2
235.10695	5.1
237.10242	0.9
239.11739	3.8
241.09679	29.9
241.13365	0.8
242.10361	2.6
243.11240	30.4
245.09207	4.1
246.07484	0.7
251.11809	0.9
253.09523	0.7
255.14902	1.2
256.12103	0.6
257.12842	6.2
258.09927	0.9
259.10623	7.3
260.11365	4.9
261.08560	3.6
261.12216	9.2
262.13239	0.8
263.10034	5.2
264.10651	1.8
265.13327	2.0
266.12912	1.1
267.11282	10.3
267.14221	0.9
269.09235	4.9
269.12445	0.8
272.91989	0.5
274.13013	0.9
275.13989	2.2
276.14819	2.0
277.12299	1.0
278.12738	3.3
278.16342	0.8
279.13486	2.1
280.14337	0.8
282.16150	0.6
283.14267	5.0
283.19275	0.5
284.11514	0.7
285.12262	4.2
287.10165	11.8
288.11053	0.9
288.14969	0.7
289.13153	1.0
290.12927	3.6
290.16476	1.1
291.14014	2.5
291.17407	0.8
292.14502	3.5
292.18134	2.7
293.12573	1.0
294.12344	1.2
295.10760	0.9
296.13953	2.1
299.14142	0.6
300.14771	0.7
301.11780	4.2
301.15152	0.5
302.12479	2.5
302.16345	0.9
303.13660	1.1
303.17203	0.6
304.14420	5.4
304.18048	3.2
305.11307	3.8
305.14984	1.0
305.18771	0.7
306.12085	2.8
306.16010	5.0
306.19504	1.7
307.13272	1.6
307.16754	2.0
308.13834	2.1
308.17557	1.9
309.14780	2.7
310.15536	4.2
311.13672	0.8
313.08319	0.5
313.11829	1.9
313.15359	0.7
315.14273	0.7
316.14462	3.2
316.18076	0.8
317.15460	1.1
318.12601	0.8
318.15955	4.0
318.19684	2.0
319.13434	1.0
319.17026	5.2
320.13919	5.8
320.17520	5.2
322.15378	2.7
322.18918	0.6
330.15997	1.7
330.19550	1.1
331.16882	1.0
332.13843	2.6
332.17532	5.4
332.21014	1.1
333.14746	0.7
333.18307	2.1
334.15399	3.7
334.19125	2.2
336.17050	6.8
336.20584	0.7
337.15045	3.3
338.14981	13.2
338.18762	0.9
343.14020	0.6
344.17593	0.7
346.15384	3.0
346.18985	1.6
348.17133	0.6
349.13986	1.0
349.17786	2.8
350.14886	2.8
350.18646	4.2
352.16766	0.9
354.18088	1.0
356.16013	10.2
358.15350	0.9
358.19296	1.0
359.20300	0.5
360.17068	6.1
360.20801	1.0
361.17801	2.0
362.14853	18.8
362.18619	2.2
363.15598	2.0
364.16495	26.3
375.15863	0.6
376.16452	5.3
376.20343	1.9
378.18063	13.0
379.18924	6.4
380.15979	16.5
382.17548	50.6
384.19806	0.7
386.18546	0.8
387.19366	1.1
388.16479	9.0
390.13937	0.9
390.18143	1.2
391.18985	1.9
394.17169	1.7
396.19138	2.3
398.16522	0.6
399.17203	1.0
400.18607	100.0
401.18976	0.9
404.19623	8.9
405.20435	7.7
406.17484	24.8
407.17966	0.7
408.15195	2.6
408.19989	5.1
409.19833	7.1
416.15939	0.6
422.20728	7.1
423.21573	3.7
424.18576	7.1
425.19095	0.6
426.16037	7.4
434.17090	2.4
435.21548	7.4
440.21512	6.4
441.22528	0.8
444.21262	0.7
452.17789	9.0
453.22971	3.8
455.24451	0.9
470.19174	37.9
471.19452	1.0
473.25336	0.6
481.25806	1.1
483.23773	2.3
499.26996	2.3
501.24652	3.8
509.25418	1.1
519.26764	0.5
527.26465	8.2
531.26050	6.3
545.27533	16.2
557.27441	4.9
563.28601	5.7
575.28546	44.1
589.26392	3.9
590.26379	3.2
607.27698	5.3
608.27600	4.4
619.27490	2.1
620.27887	1.0
637.28772	8.3
638.28345	0.8
654.28448	0.8
655.29352	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	655.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82104	1.2
55.01628	1.2
64.33767	1.3
64.63491	1.1
67.05484	2.7
73.77118	1.2
78.97928	1.2
94.06568	5.4
122.06039	14.3
124.07579	2.8
130.41141	1.2
162.07820	2.0
166.95682	1.4
175.08662	6.5
180.94467	1.6
185.10707	2.0
186.07951	1.3
186.74899	1.4
187.08659	6.8
188.09445	6.5
189.10208	8.9
199.08615	3.1
201.10178	3.0
204.06523	1.9
213.10211	6.9
214.10960	1.7
215.11774	6.8
216.08926	1.8
217.09689	29.8
225.10164	1.7
227.08173	2.8
234.10028	1.9
235.10762	6.7
241.09691	32.9
242.10480	2.3
243.11264	31.3
257.12811	3.0
259.10715	5.2
260.11569	3.1
261.12292	9.9
265.13303	1.8
267.11365	10.5
269.09116	6.2
277.11993	2.0
278.12650	2.3
283.14282	2.8
285.12299	2.9
287.10117	7.0
290.12823	1.7
291.13834	1.4
292.14560	2.4
292.17725	1.5
293.12881	1.5
304.14432	3.1
304.17816	2.1
306.16113	2.6
308.13657	2.2
310.15604	1.9
311.13754	1.4
316.14249	1.7
318.15741	4.1
319.13409	1.6
319.16751	6.9
320.14136	4.5
320.17426	5.7
330.15805	2.1
332.17603	6.2
333.18497	1.5
334.15353	5.1
336.16895	7.4
337.15161	2.0
338.15198	10.8
344.17471	2.5
346.15338	5.2
349.17798	3.1
350.14774	2.0
350.18585	2.4
356.15921	11.3
360.16858	2.3
362.14890	17.8
364.16418	28.7
376.16479	5.1
378.18045	12.7
379.18851	5.4
380.15985	16.9
382.17557	51.8
388.16373	14.6
390.18158	2.3
396.19095	2.5
400.18607	100.0
404.19711	12.7
405.20349	8.4
406.17474	25.2
408.19675	4.4
409.19800	8.5
422.20587	8.1
423.21368	2.3
424.18436	5.7
426.16434	4.8
435.21396	7.9
440.22107	8.9
448.63309	1.5
452.17902	5.7
453.21945	4.7
455.25104	1.6
470.19125	47.1
483.23590	1.5
501.25073	2.0
509.25055	1.7
527.26245	7.6
531.25854	6.2
545.27466	12.7
557.27551	9.3
563.28522	5.2
575.28595	48.7
576.28583	1.8
607.27087	1.7
634.48370	1.5
637.28119	9.1
655.29681	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	655.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37689	0.9
67.05489	1.3
68.58195	0.8
69.03426	8.7
69.31584	1.1
77.21847	0.8
81.07040	1.3
82.08044	0.9
94.06551	4.0
108.02399	1.0
108.08123	2.3
109.10138	1.0
122.06007	13.6
123.08069	3.7
124.07569	2.1
136.07573	5.6
139.41826	1.2
162.07866	1.2
164.07028	13.5
172.07549	1.7
174.09148	1.8
175.08746	1.8
187.08603	1.3
189.10240	1.2
190.08540	1.5
191.64186	1.0
199.08632	1.6
201.10115	1.0
203.08130	1.9
204.06602	5.3
213.10274	1.7
214.10852	1.0
215.11839	4.1
217.09744	15.5
225.10236	1.9
227.11958	1.1
228.12552	2.2
229.13313	6.7
231.11314	1.5
233.09094	1.2
235.10736	1.6
239.11726	2.0
241.09706	4.6
243.11256	9.9
245.09212	4.9
255.14932	2.1
257.12805	17.7
259.10870	1.6
261.12247	2.0
263.10049	8.0
267.11243	1.6
271.10876	2.2
275.14182	2.2
277.11758	1.9
280.14407	1.5
283.14450	10.8
285.12399	1.8
289.11722	1.3
292.14386	1.7
299.13837	1.5
301.15433	5.2
306.15952	1.4
308.13904	1.2
310.15314	1.7
312.14026	1.1
320.13947	2.2
322.15588	1.2
326.14697	1.3
334.15518	1.6
336.17026	2.3
338.15005	9.9
350.14969	1.8
350.18759	2.2
356.15994	11.4
359.16544	1.3
362.14825	1.6
364.16562	9.0
376.20218	3.5
378.18039	11.2
380.15738	2.1
382.17612	15.3
394.17529	1.4
396.19461	9.3
400.18607	10.4
404.19492	13.8
406.17572	2.5
422.20676	13.0
426.16516	6.7
433.18631	4.0
440.21756	4.5
448.20963	1.3
459.20581	1.5
469.22336	1.1
488.21851	1.5
506.22754	1.5
525.25323	1.6
533.24268	1.6
545.23840	1.4
575.24316	1.2
583.36505	1.0
589.26782	4.3
591.27972	1.7
593.25885	24.8
594.25488	1.3
607.27704	1.5
611.26971	1.9
619.27631	20.8
637.28564	100.0
655.29077	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	655.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68334	1.2
51.75870	1.3
55.01856	10.4
57.96189	1.5
65.27418	1.7
67.05486	6.5
69.03420	2.6
76.47099	1.5
78.77206	1.4
86.06065	2.6
91.05458	3.5
93.07014	4.1
94.06529	9.8
108.08102	12.9
110.06048	2.6
119.04922	7.0
122.05988	31.4
123.08042	12.8
136.07550	29.4
138.09119	2.6
147.04375	2.0
150.05504	3.1
159.73824	2.4
162.09039	2.9
164.07037	100.0
172.07530	6.6
175.08546	2.2
176.03511	2.5
176.07039	7.4
188.10718	2.9
189.10190	2.4
190.08672	6.7
191.08116	7.4
200.07077	3.2
201.06589	2.5
201.10106	2.9
202.07361	3.0
203.08105	30.5
204.06523	43.3
213.10138	2.1
215.08165	2.5
217.09665	41.9
218.08104	4.1
227.08290	1.9
227.56184	1.7
229.06087	12.8
229.09634	2.3
234.11319	3.5
241.09555	1.9
243.07707	4.1
243.11188	10.7
245.09148	44.1
246.07590	9.3
257.12869	2.3
259.10733	9.6
263.10211	71.7
266.12918	1.9
271.07092	7.2
271.10587	2.7
277.11755	7.8
289.08563	4.4
289.11777	15.4
297.88797	1.7
307.12778	6.8
312.24866	2.0
321.14307	2.1
336.85349	2.0
337.15207	2.2
338.14725	8.1
356.16138	5.9
362.15051	3.8
364.16193	7.1
377.17191	2.0
378.94223	1.9
380.15964	2.5
382.17480	13.2
385.16998	2.3
400.18567	13.2
403.18884	3.0
406.17551	4.2
421.88977	1.9
423.07886	2.0
424.18790	2.6
426.16275	50.6
452.18054	9.4
470.19019	6.6
499.22949	2.4
543.25330	2.5
545.23840	7.6
561.26172	2.8
571.24609	2.0
589.26416	20.8
593.25482	3.1
606.14325	2.2
607.27209	22.8
619.27649	2.7
637.29132	13.2
637.37970	2.2
655.29724	28.8
674.33978	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	654.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.1
57.07061	6.3
58.06588	36.1
59.07365	11.8
60.08149	8.7
67.05495	5.0
69.07052	1.3
71.08614	1.5
75.04440	1.4
79.05484	1.9
81.07044	2.0
85.02892	1.5
87.04446	4.3
87.74911	0.9
93.07021	2.6
95.08561	2.4
107.08601	1.3
108.15644	1.0
109.10178	1.3
130.68001	1.0
144.10190	14.0
156.99655	1.1
162.11247	5.9
169.32646	1.2
236.14864	84.5
339.05127	1.0
398.25089	5.4
416.21469	1.2
416.25940	8.1
455.73740	1.2
456.36743	9.4
474.37753	17.5
518.00421	1.4
533.95813	1.3
632.00244	1.1
654.49237	100.0
655.49133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04189	0.4
54.81750	0.5
55.01864	8.2
64.45077	0.4
65.03925	0.6
67.05492	6.5
68.05016	0.5
69.03418	2.0
79.05451	0.5
81.07047	0.6
91.05460	7.0
93.05769	1.2
93.07024	8.0
94.06540	9.2
95.04959	1.2
96.04475	3.5
102.96707	0.5
106.06547	0.9
108.08096	15.1
110.06020	2.8
118.06518	1.2
119.04901	6.4
120.08074	0.7
121.06494	4.0
122.06007	26.9
123.08068	9.7
124.03917	0.7
124.07552	2.4
134.05983	2.1
136.07558	35.8
138.09117	2.5
139.05034	0.6
140.06998	1.1
144.08051	2.3
146.05959	1.1
147.04431	5.4
147.06754	0.7
148.07550	3.4
150.05482	5.6
151.08705	0.7
158.05983	2.5
160.09947	0.8
162.05458	4.5
162.09106	2.7
163.03894	0.9
163.08611	0.9
164.07037	100.0
165.07222	0.6
168.20842	0.5
172.07529	6.3
173.07153	0.8
174.05482	0.9
174.09082	4.4
175.08563	4.0
176.03452	5.2
176.07007	4.1
181.09760	0.7
182.08206	0.5
184.07564	0.6
186.05556	3.6
186.07777	0.6
187.08641	2.5
188.09340	0.8
188.10818	0.9
189.10216	5.7
190.08568	7.6
191.08138	7.5
192.06488	1.2
195.77841	0.5
196.29697	0.7
199.08630	1.9
200.07053	6.3
200.09494	1.1
201.06572	4.6
201.10294	2.1
202.07339	3.2
202.08885	0.8
203.08125	35.1
203.11874	1.2
204.06537	42.3
211.10753	0.7
213.10162	1.1
215.08134	3.0
215.11758	3.2
216.08786	0.7
217.09697	38.7
218.08084	4.8
226.08708	0.8
227.08093	3.0
228.06671	0.8
228.08809	0.9
229.06035	14.1
229.09583	3.8
230.08269	1.5
231.07477	0.6
231.11264	3.5
234.11223	2.6
235.10698	0.8
239.11731	0.9
241.09724	2.0
241.13422	1.1
242.11705	2.2
243.07613	6.0
243.11198	9.4
245.09172	45.0
246.07518	6.4
249.40964	0.5
251.13918	1.0
253.09552	0.8
255.07733	0.6
255.11087	0.7
257.12830	2.9
259.10696	12.5
261.08612	0.7
261.12146	1.6
263.10211	96.5
267.11292	1.8
271.07117	8.6
271.10696	7.0
277.11484	8.6
285.12201	0.9
287.10211	2.4
289.08173	4.7
289.11780	14.5
291.09781	3.4
292.14304	0.8
296.13229	0.8
301.07928	0.6
303.13434	2.7
304.14355	2.6
305.12402	0.7
305.15448	0.8
307.13031	9.6
308.17361	1.0
315.10056	0.7
315.13864	0.6
317.15540	2.2
318.15894	2.0
319.14285	2.2
320.13882	1.0
321.14508	0.8
324.13144	0.6
330.15826	2.0
331.16736	1.1
333.10776	0.7
333.14633	0.9
334.15479	1.1
334.19135	0.7
336.16989	3.3
337.15390	3.9
338.14243	3.9
341.39575	0.5
354.18008	3.3
355.16397	2.5
356.16714	0.6
359.16455	2.2
360.17139	0.7
362.14874	3.7
362.18784	1.0
363.16724	2.2
364.16412	3.0
365.14890	2.1
366.14371	0.7
372.19095	0.9
376.16473	2.5
377.17169	4.6
378.15698	2.5
379.16333	0.9
380.15686	4.8
381.17233	0.9
382.17685	5.1
383.15717	0.6
385.17593	0.6
388.16376	0.9
390.13989	0.6
396.19211	0.7
400.18600	6.8
403.18777	3.9
406.17563	3.0
408.15359	2.3
418.19601	2.5
421.19998	0.8
424.18567	2.3
426.16364	53.3
434.16925	2.0
438.20532	0.6
444.21146	3.3
448.20648	2.2
452.18033	7.4
453.22910	0.5
456.21442	1.0
470.18930	3.7
481.22275	1.1
492.23669	0.6
499.23157	3.4
500.21417	2.5
507.24075	0.6
517.24414	5.1
525.24756	2.8
527.22803	1.9
543.25836	6.9
545.23969	9.7
547.25415	0.9
561.26947	3.7
563.25031	1.2
565.25830	0.8
571.25226	5.9
589.26520	23.5
590.26904	0.7
591.27692	1.2
593.25659	3.7
607.27618	15.9
611.26996	0.8
619.27130	3.2
637.28809	9.1
655.30042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.6
55.01859	17.3
55.05505	39.1
57.03205	2.3
57.03434	32.5
57.07067	53.0
59.04991	3.7
59.66939	1.7
67.05495	37.3
67.46162	2.2
69.07053	19.1
71.04982	2.1
71.08613	35.2
79.05470	38.4
81.03397	13.6
81.07037	40.7
83.01328	11.2
83.04963	28.3
83.08610	29.6
85.10178	15.3
88.61498	2.0
91.05448	22.3
92.08754	3.0
93.07027	38.3
94.07319	2.0
95.04943	13.9
95.08584	33.0
97.02904	2.1
97.06520	8.6
97.10143	11.9
105.07018	12.6
107.04945	11.8
107.08582	23.6
109.06495	10.6
109.10120	15.0
111.04451	9.0
111.08052	3.9
117.07015	13.4
119.08555	20.2
121.06483	2.7
121.10126	13.2
123.08044	12.9
123.11620	3.2
125.09630	4.3
129.05580	2.2
131.08524	4.7
133.10112	3.6
135.08009	4.9
135.11679	13.4
137.09595	2.7
145.10107	19.1
153.12677	5.2
159.08005	2.7
163.11145	31.5
173.09650	4.4
181.12212	5.2
209.11690	14.1
225.64032	2.0
227.12759	15.7
283.15366	41.3
289.18051	18.8
307.18942	7.8
313.27304	100.0
381.22559	37.0
413.95059	2.7
521.30560	4.0
521.38177	59.7
543.98389	2.3
601.44336	8.9
619.45917	29.7
669.02301	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	654.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85924	1.1
55.01862	6.2
58.67675	1.4
67.05496	6.9
76.91896	1.4
81.07036	1.8
91.05455	2.8
93.07028	6.1
94.06561	8.9
95.04964	3.0
95.08613	1.8
96.04468	1.8
96.08116	1.7
97.10157	2.3
108.08121	11.9
118.89065	1.6
119.04934	3.6
122.06010	25.1
122.09731	1.9
123.08064	1.7
124.07565	7.9
134.16846	1.5
136.07565	28.9
138.09128	29.4
146.09673	2.1
147.04434	3.4
150.05496	2.7
162.05499	7.6
164.07048	71.0
164.10721	6.4
174.09140	20.1
175.08698	2.0
176.10831	1.7
177.06647	3.8
181.09755	8.7
188.07043	3.1
189.10199	2.7
189.13470	1.6
191.08121	17.7
192.10243	3.0
200.07098	6.8
201.06557	6.9
202.08777	16.2
203.08153	42.1
204.04881	2.3
204.06549	22.9
205.09770	1.9
213.10143	3.3
215.08197	6.0
215.11838	2.7
217.09715	39.8
220.09775	2.0
227.08171	3.3
227.11749	2.6
228.06526	2.0
229.06096	21.6
229.13260	2.8
230.08084	10.4
231.07605	2.7
231.11206	5.6
233.09161	2.7
234.09993	2.1
235.10817	8.0
241.09715	9.4
243.07652	6.8
243.11261	5.7
245.09152	58.1
245.12975	5.7
246.07542	7.1
247.10428	2.2
248.09206	6.6
257.09155	10.0
257.12668	7.1
259.10843	15.9
261.08673	54.5
261.11737	2.1
261.12289	1.6
263.10217	59.4
269.09204	3.3
271.07132	10.1
273.09174	2.0
273.12296	6.7
275.13821	11.4
277.08228	8.1
277.11642	3.2
283.10605	2.0
285.08682	8.1
287.10211	45.0
289.08319	3.7
289.11826	2.4
299.13828	3.0
300.10818	2.0
301.11780	72.9
305.11267	53.9
307.12857	14.8
313.08109	11.7
322.15387	2.6
329.11365	2.4
333.10822	2.3
338.11145	1.9
346.15320	1.8
348.17178	3.4
350.15033	2.5
352.16483	2.4
366.18008	8.5
378.18024	6.3
380.19675	2.5
381.18011	2.2
398.16891	7.3
402.73788	1.6
406.17627	17.8
407.16315	2.0
420.19244	8.3
424.18686	8.6
426.20248	21.7
434.17218	11.2
438.20038	8.0
444.21286	14.1
450.16571	6.8
452.18127	41.5
468.17343	15.7
470.19040	24.9
482.18942	2.7
486.73468	1.6
523.04114	1.8
525.24683	1.8
561.26813	2.2
571.25549	2.9
571.41608	2.0
573.25494	1.9
588.26025	1.7
589.26563	74.5
607.27570	100.0
619.27448	35.6
637.28784	27.8
654.28253	2.3
655.29382	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	654.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	44.7
57.07058	6.4
67.05486	43.8
69.07053	14.7
71.39714	6.0
79.05465	35.8
81.03394	8.7
81.07037	55.0
83.04967	8.8
83.08601	33.6
91.05445	39.6
93.07021	39.6
95.04965	51.7
95.08583	11.3
105.07041	52.9
107.04968	14.3
107.08572	35.1
109.10144	7.4
117.06973	8.8
119.08553	44.6
121.10123	37.0
121.96235	6.9
131.08546	27.5
133.10088	31.3
141.45486	7.0
143.08517	8.1
145.10114	33.9
149.09567	39.9
159.11638	9.6
163.11220	53.0
223.13293	9.1
257.18893	10.6
261.53629	8.3
275.20044	100.0
291.19571	13.4
293.21069	66.9
334.75284	7.7
338.03018	7.7
434.49487	7.4
589.62689	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	653.3532
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03941	6.4
55.01856	13.6
55.05504	40.0
57.03422	21.1
60.26468	3.6
67.05495	62.9
69.03424	30.2
69.07046	18.4
71.04977	7.0
78.43341	3.4
79.05477	100.0
81.03398	91.0
81.07040	71.3
83.04958	31.0
83.08604	19.4
85.02905	21.9
91.05460	95.4
93.07022	70.3
95.04945	53.4
95.08570	31.3
97.02885	14.2
105.07011	62.8
107.04926	15.2
107.08595	22.3
109.02889	5.8
109.06517	8.6
109.10165	6.0
111.04396	4.4
111.08076	6.6
115.05441	4.5
117.07001	18.0
119.08559	48.3
121.06489	6.9
121.10114	13.4
123.08034	5.5
128.06190	6.3
129.06952	33.6
131.08551	21.1
133.10127	18.3
135.11702	4.7
143.08594	8.8
145.10130	8.1
147.11682	35.5
149.09535	4.0
149.53786	3.8
157.10097	8.2
161.13225	7.7
171.11647	17.4
189.12682	5.3
193.12260	21.4
207.13812	17.6
211.13281	27.5
267.15829	15.3
281.17395	45.2
285.16916	16.9
293.11871	3.5
405.88351	4.2
429.21255	6.2
473.28818	51.6
491.29929	16.3
635.33698	20.7
643.63922	4.7
669.07410	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.6
62.03461	0.8
67.05485	3.8
74.24124	1.2
87.04437	1.7
91.05455	6.0
93.05802	1.1
93.07024	7.2
94.06527	9.6
96.04475	2.4
97.06589	1.0
106.06559	1.2
108.08100	11.2
110.18511	1.1
118.06482	1.3
119.04917	5.5
121.06439	1.0
122.06005	27.2
124.07593	5.4
132.08047	1.6
134.06030	1.6
136.07555	34.2
138.09113	14.8
144.07997	1.5
146.05986	1.7
146.09657	3.7
147.04396	4.7
149.07098	1.4
150.05489	5.9
152.10706	1.4
156.10175	2.4
158.05971	3.8
160.07535	6.0
162.05473	1.9
162.09079	1.7
164.07028	79.1
172.06139	1.0
172.07561	4.1
174.05479	1.4
174.09106	15.4
175.08603	2.0
176.03426	1.6
176.10738	1.2
177.06506	2.0
179.91789	1.0
181.09711	8.4
184.07439	1.2
185.05879	1.3
186.05438	9.9
186.09096	1.9
188.07014	6.0
188.10623	2.0
189.10219	5.3
190.08562	1.6
191.08118	6.7
192.10275	1.1
199.08699	1.3
200.07063	7.3
201.06558	7.3
201.10124	1.9
202.07141	1.4
202.08659	27.1
203.08118	41.3
203.11766	1.3
205.09720	4.4
215.11613	1.3
217.09674	29.4
218.08087	39.8
219.11259	5.7
227.07994	1.5
228.06606	1.6
228.10124	1.8
229.06067	15.7
229.09605	1.8
230.08101	18.1
234.11189	5.3
241.09668	1.4
241.13373	1.4
243.07664	7.2
243.11263	6.7
243.14946	1.5
244.13498	1.5
245.09142	43.1
247.10733	1.8
251.13744	1.8
256.09653	1.7
257.12732	5.2
259.10754	10.1
260.09192	7.7
261.08694	4.6
261.12463	1.0
262.10809	7.4
269.12823	1.1
271.07086	13.5
271.10684	3.9
275.13840	1.0
277.11758	100.0
279.13287	11.9
283.14371	2.5
291.13354	6.7
301.11853	1.8
303.09644	4.2
303.13367	11.1
305.11252	5.2
305.14963	1.5
307.16858	1.8
308.17575	1.2
321.14279	10.3
323.15955	4.3
336.16937	4.0
353.18436	5.0
364.16452	5.8
370.21201	4.0
378.17993	4.7
396.18979	11.4
398.20645	4.4
404.19739	2.3
410.20499	11.2
414.20193	1.3
416.21735	15.1
436.22110	4.2
440.17859	29.5
442.19095	2.0
454.23059	4.6
460.24118	6.2
466.19879	1.9
468.20776	1.3
484.20663	1.3
486.22226	18.8
515.26056	1.2
561.27094	13.6
573.26660	1.8
579.28052	9.1
587.28613	7.0
605.29492	29.0
623.30713	33.3
627.99652	1.4
635.30005	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	653.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08384	0.5
54.33457	0.4
55.01862	2.9
55.05496	0.7
64.52715	0.5
67.05482	0.9
69.03396	1.0
69.07072	0.9
79.05460	0.8
81.03380	0.8
81.07035	0.8
85.02930	0.6
86.09698	1.0
91.05483	1.2
93.07049	0.8
94.06543	4.3
95.04953	0.9
95.08633	0.6
96.04458	0.6
104.23724	0.6
106.06537	0.7
108.08100	1.2
109.02832	0.9
113.24823	0.5
118.06551	0.5
119.04900	0.9
120.08104	0.8
122.06012	11.0
123.08051	2.7
124.07579	1.3
134.06004	2.4
135.08113	0.6
136.07550	6.4
137.02319	0.8
138.09142	2.5
147.04405	2.6
150.05458	1.4
162.05444	9.0
162.09082	2.0
163.03778	0.8
164.07027	11.5
169.12262	0.7
172.07535	0.8
174.09132	1.1
175.08655	3.0
176.07004	0.9
185.10892	0.8
187.08693	0.9
189.10216	2.7
190.08636	2.9
191.08226	0.7
195.08685	0.6
199.08652	0.9
200.07091	2.4
200.09296	0.7
201.06538	5.1
201.10306	0.8
202.07301	11.6
203.08107	13.1
204.06569	8.1
204.08774	1.9
205.09726	6.2
208.09679	0.6
211.08733	0.8
212.09462	0.8
213.10196	2.8
215.08170	3.8
215.11778	0.8
216.09004	1.2
217.09703	23.4
227.08127	1.3
228.06656	0.8
229.06067	6.2
229.09608	4.6
231.07591	0.7
231.11336	1.4
233.09169	9.7
234.09984	0.6
235.10791	3.8
239.08160	1.2
241.09618	5.7
241.13220	0.9
243.07603	1.2
243.11256	1.1
245.09175	13.8
245.12921	1.0
246.07622	2.5
247.10834	1.2
255.11110	0.7
257.09149	14.7
257.12933	0.9
258.09961	0.9
259.10736	16.7
259.14352	4.7
260.14673	4.9
261.08652	100.0
262.08823	1.3
263.10187	15.6
269.09113	2.7
271.07190	2.4
275.13956	3.0
277.08298	0.8
277.11807	3.0
280.14102	0.7
281.12723	1.1
283.10788	6.2
285.08624	13.3
285.11758	0.7
287.10168	9.2
289.08218	1.0
290.12775	2.1
299.13730	1.3
301.11780	7.1
304.14496	1.3
305.11246	10.3
306.12271	0.7
306.15860	1.1
308.13809	0.9
311.10123	0.9
312.54739	0.6
313.08139	11.1
317.15210	0.8
319.12979	3.4
319.16760	2.6
320.13934	2.6
322.15424	0.6
324.17050	1.2
326.15057	8.9
327.09756	1.2
329.11298	2.9
331.09186	11.8
336.17044	1.1
338.14606	2.3
346.15518	0.8
348.17044	1.4
349.13855	0.8
349.17749	2.2
350.14999	5.6
360.16812	1.4
362.14838	1.4
364.16074	0.7
366.14078	0.7
366.18088	2.3
376.00943	0.6
376.16571	0.9
378.18146	4.6
380.15848	9.3
380.19797	0.8
382.20996	2.6
383.21304	3.8
384.21890	1.1
388.20389	0.6
390.18414	1.3
398.16995	48.5
402.18091	0.7
404.15994	8.5
406.17462	0.8
408.19092	2.2
420.18924	3.4
421.19794	1.2
422.16760	5.7
424.18558	2.8
426.20163	3.2
427.20248	1.0
428.20657	0.9
432.15576	1.2
438.20187	2.8
440.21796	0.7
442.19376	1.2
444.21384	0.8
450.16473	3.9
451.20914	1.2
456.21381	0.9
457.21817	0.8
468.17578	25.3
470.18927	0.7
471.23969	0.7
484.20746	1.1
498.18503	2.5
515.63788	0.7
516.19617	1.0
525.24829	0.9
541.24030	1.2
543.26154	5.4
559.24817	1.2
561.26617	2.6
573.27075	9.4
587.25104	10.2
605.25879	10.0
617.25287	1.2
635.27081	11.5
652.26648	2.2
653.27747	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	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
57.03419	0.4
65.51768	0.4
67.05489	1.0
69.03400	0.9
87.77942	0.4
90.35308	0.4
91.05387	0.6
93.07049	0.5
94.06545	0.8
108.08088	0.9
122.05997	4.8
123.08067	1.1
136.07532	2.4
138.09132	0.9
149.09682	0.5
153.47801	0.5
154.12021	0.5
162.05438	1.2
162.09184	0.6
163.03848	0.7
164.07039	6.1
175.08641	0.7
176.06964	0.6
176.09470	0.7
187.08575	0.8
189.10214	1.1
190.08560	0.7
200.07111	0.7
201.06580	3.1
202.07329	11.5
202.09026	0.5
203.08229	4.9
204.06563	1.1
208.09669	0.7
212.09346	0.6
213.10172	1.2
215.08125	1.1
217.07906	0.6
217.09697	13.6
222.36642	0.6
229.06076	0.9
231.11319	0.7
233.09186	8.1
235.10747	3.1
241.09692	0.8
245.09180	4.0
257.09158	9.4
259.10718	2.1
260.07825	1.0
261.08652	100.0
263.10297	4.1
269.09082	1.9
271.07031	0.6
275.13681	0.7
284.11380	0.6
285.08655	11.6
285.12238	4.3
287.09982	3.8
289.12051	3.6
292.10751	0.5
301.11792	5.2
302.12799	2.0
304.14529	1.2
305.11249	3.0
307.13153	4.8
310.11880	1.1
313.08200	5.8
322.15442	1.1
331.09210	7.4
331.16742	0.6
334.12170	0.6
338.11139	0.6
338.14783	0.9
346.15314	0.5
348.13318	5.2
361.14215	3.0
362.14853	0.9
364.16183	0.6
366.14426	38.3
378.18039	1.9
380.12378	2.3
383.11270	3.7
390.18121	11.0
391.15598	1.0
393.13077	3.0
394.13800	4.4
398.16995	12.0
402.01736	0.5
404.15909	5.5
406.17462	4.6
419.49139	0.6
421.12680	0.6
422.16913	6.7
424.18893	0.8
430.15887	2.9
441.15189	0.6
450.16470	3.8
452.18103	15.6
454.19495	2.3
461.46481	0.6
468.17496	8.9
469.14777	3.9
483.15887	1.2
498.18616	31.9
516.19525	2.6
569.53748	0.6
587.24591	2.7
605.26337	1.8
607.27289	0.9
635.27057	65.4
636.27600	0.9
653.28168	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	653.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87387	0.4
69.03397	2.1
70.16211	0.4
70.55325	0.5
74.12918	0.4
79.62802	0.5
83.01294	0.5
94.06493	0.8
122.06010	0.7
136.07584	0.6
162.09192	0.8
163.03859	0.6
189.10323	0.5
201.06563	3.3
202.07333	12.6
208.09715	0.6
217.09692	12.7
225.10202	0.5
233.09149	8.4
257.09167	9.7
261.08652	100.0
269.09210	2.0
285.08649	9.5
285.12280	4.9
287.10278	3.3
289.12039	4.1
301.11816	1.9
302.13086	1.7
304.14368	2.7
307.13046	2.8
313.08130	7.2
320.09830	0.5
322.15326	1.0
331.09174	6.6
348.13498	5.8
350.14868	0.8
361.14160	3.0
366.14413	46.6
369.14401	0.7
376.12866	0.7
378.18332	0.9
380.12265	2.9
383.11169	4.7
390.18082	9.9
393.13141	4.3
394.13730	4.0
398.17053	13.4
404.15863	4.3
406.17590	6.7
422.17090	7.1
450.16574	0.7
452.18173	13.0
454.19635	1.0
468.17368	4.5
469.14529	3.8
483.16116	3.3
498.11331	1.0
498.18616	33.1
635.27045	59.4
636.26733	0.9
653.28320	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	652.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87352	4.1
52.89713	2.9
53.00310	3.1
54.82044	3.6
55.01844	3.3
55.05512	41.7
55.12740	3.1
57.07071	8.0
59.55949	3.4
60.84846	3.3
67.05495	57.6
67.74751	3.7
69.07064	26.9
70.43034	3.6
71.04978	9.2
79.05481	40.1
81.03421	9.0
81.07041	52.3
83.04955	5.0
83.08611	26.2
91.05466	54.7
93.07036	43.6
95.04947	43.0
95.08581	29.8
97.06549	5.1
97.10164	5.5
105.07028	58.2
107.04967	16.9
107.08604	32.8
109.06517	4.4
109.10129	23.7
117.06966	20.1
119.08572	26.5
121.10118	23.0
123.08009	3.9
125.09635	5.0
129.06964	7.2
131.08562	17.1
133.10115	36.6
135.08046	8.6
135.11716	6.3
143.08537	6.0
144.06712	3.6
145.10146	31.2
147.11653	5.6
149.09589	33.1
159.11720	18.3
163.11165	38.6
165.12672	5.0
171.11571	5.2
177.12703	4.9
189.12770	4.1
223.13283	16.6
239.17889	8.1
257.18961	7.6
275.20059	100.0
291.19516	4.3
293.21100	55.9
311.18466	4.5
432.33249	4.6
487.33960	8.0
537.37463	19.2
537.73883	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	653.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62964	0.1
95.04941	0.2
103.56305	0.1
122.05995	0.7
124.07547	0.3
136.07558	0.6
137.09494	0.2
162.09155	0.3
164.07008	0.2
164.10542	0.2
166.60631	0.1
173.07069	0.3
174.07797	0.2
175.08601	0.6
187.08597	0.6
188.05769	0.3
189.10233	1.4
190.08655	0.2
197.07152	0.2
198.07860	0.2
199.08705	0.2
200.09439	0.9
201.06551	2.6
202.07324	9.8
207.11179	0.3
208.09724	0.8
211.08623	0.3
212.09448	0.6
213.10187	0.9
215.08157	0.9
217.09680	11.2
229.09721	0.2
233.09157	7.7
233.11409	0.3
235.10657	1.2
239.08086	0.6
241.09647	0.8
257.09134	8.9
259.10672	0.3
261.08640	100.0
262.09015	0.8
285.08630	13.7
287.10205	1.5
297.08673	0.2
299.10110	0.3
301.11847	2.3
313.08112	8.7
325.08102	0.3
331.09143	10.4
343.09027	0.5
366.14413	0.9
378.17929	0.3
398.17004	25.6
399.17435	0.2
406.17422	1.3
424.18500	1.0
429.08734	0.2
450.16248	0.2
452.18146	0.3
452.73853	0.2
468.10986	0.3
468.17508	6.7
490.84259	0.2
498.18634	1.7
516.19733	0.6
543.25647	0.4
561.26764	0.8
573.26306	0.2
627.69794	0.2
635.16730	0.2
635.26910	5.9
653.28064	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	652.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81820	7.0
55.01859	12.1
55.05503	49.1
56.87502	7.2
67.05482	71.0
69.07050	52.7
71.04961	15.3
77.33848	7.6
79.05469	100.0
81.07030	99.8
82.28109	8.7
83.04951	9.9
83.08589	36.5
83.88604	7.9
91.05458	78.3
93.07016	75.2
95.04973	38.8
95.08578	37.2
97.06515	84.1
97.10150	19.8
100.15096	8.2
105.07024	38.0
107.04948	15.9
107.08594	34.1
109.06533	8.7
109.10128	13.6
117.07020	36.1
119.08559	38.5
120.38520	7.6
121.06495	15.4
121.10128	9.7
123.08084	19.2
129.06950	10.1
131.08559	39.3
131.41829	8.0
133.10126	32.0
135.07982	17.0
143.08539	12.7
145.10117	36.8
147.07968	11.0
147.11671	11.1
149.09560	13.6
153.09102	8.5
157.10117	13.7
161.09602	9.3
179.01514	8.8
181.12349	9.2
204.65242	8.3
273.18390	37.4
277.76215	8.8
289.17947	13.3
291.19510	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	652.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.2
53.03939	4.4
55.01874	11.1
55.05505	32.3
57.03431	1.4
67.05499	28.4
69.03412	4.4
69.07057	14.2
71.04970	4.0
75.18487	0.7
75.60848	0.8
79.05475	41.4
81.03403	5.1
81.07039	67.0
83.04971	11.1
83.08608	17.8
85.02906	1.4
85.06520	1.2
85.40636	0.9
85.63777	0.7
91.05464	27.6
92.09332	1.7
92.64278	1.0
93.07022	27.0
95.04952	20.0
95.08586	16.9
97.02879	1.8
97.06520	4.5
97.10146	22.4
97.10751	1.3
99.04419	1.9
99.08056	1.1
103.13297	0.9
105.03366	1.0
105.07015	24.5
107.04941	14.7
107.08591	19.1
109.02853	1.1
109.06500	9.1
109.10130	7.7
111.04421	10.6
111.08077	5.6
115.05419	1.3
117.07005	17.4
119.08559	31.1
121.06477	13.8
121.10120	12.5
123.08065	14.3
123.11674	0.9
125.09600	16.3
128.06258	1.4
129.07014	8.4
131.08548	15.2
133.06456	6.6
133.10107	9.6
135.08054	7.6
135.11690	7.7
137.09610	4.2
142.07765	1.7
143.08553	8.3
145.06477	1.9
145.10100	18.5
147.08032	18.3
147.11707	4.5
149.09608	8.3
153.09131	4.8
153.12750	4.6
155.08574	1.8
157.10139	4.9
159.08009	3.7
159.11644	6.1
161.09586	9.7
163.11153	13.5
164.20540	0.9
165.09142	5.5
169.10138	1.2
171.11653	4.9
173.09589	4.9
173.13258	1.0
175.11160	2.1
177.12753	1.2
181.12257	4.7
183.23688	1.0
185.13234	1.6
187.11200	1.3
189.11203	9.4
189.12662	1.7
191.10727	4.0
223.13350	5.0
227.12842	4.2
227.17847	1.1
237.16228	1.4
245.18950	4.1
249.14714	3.5
255.17433	3.4
273.18451	33.7
273.21353	1.6
291.19492	100.0
309.20444	10.4
317.89407	1.0
346.88818	1.1
362.76022	0.9
538.59796	1.0
558.74396	1.0
563.37134	1.3
581.38007	4.1
599.39075	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86240	0.5
50.86526	0.6
54.82175	0.7
55.05526	0.6
57.03431	0.7
67.05497	3.6
69.03416	7.3
72.85458	0.6
79.05485	2.9
80.47865	0.6
81.07035	1.1
84.16360	0.6
85.02912	1.0
90.87743	0.6
91.05492	1.2
93.07045	1.4
94.06580	1.2
95.04967	1.1
95.08613	1.1
97.02866	0.7
98.46115	0.6
105.07040	1.5
107.08582	0.6
108.23959	0.6
109.56857	0.7
112.68899	0.5
119.48615	0.6
120.44529	0.6
122.06026	8.8
124.07601	2.6
136.24789	0.7
144.35310	0.6
162.07928	3.5
163.03947	1.5
170.08156	1.4
172.07652	1.2
175.08688	3.9
185.10878	0.7
187.08681	2.8
189.10263	3.3
190.08676	3.6
199.08731	0.9
201.10188	1.4
201.13841	1.0
202.11047	3.3
208.09622	1.2
211.14960	0.8
213.10291	1.1
214.11185	0.8
215.11749	6.0
217.09718	13.4
225.10295	0.9
227.11839	2.6
228.12653	1.2
229.13240	5.8
239.11790	3.1
241.09753	3.4
241.13336	1.5
243.11314	5.1
247.10835	1.2
251.11810	0.8
255.14886	5.2
256.12189	1.3
257.12830	21.4
261.08762	3.5
261.12292	1.0
265.13422	1.4
267.11258	3.7
267.13818	1.3
273.12430	1.6
275.13943	1.3
280.14487	2.5
281.13077	0.9
282.13116	1.0
283.14484	10.2
285.12363	0.8
288.15109	1.0
289.15598	4.4
291.14270	0.9
292.14539	3.0
293.12457	1.1
294.12546	1.1
295.14413	1.3
296.14081	3.1
299.14108	1.0
301.15491	1.6
304.14648	0.9
305.15369	1.5
306.16187	1.1
308.14029	1.0
310.15616	1.0
315.17258	1.4
318.16010	1.5
319.13809	1.0
320.14008	1.5
321.14896	1.3
322.15793	1.0
326.15170	0.7
332.14221	0.7
332.17896	1.2
333.15536	1.0
334.15582	2.7
336.17020	4.6
338.14929	6.8
346.15591	1.3
349.24088	1.2
350.14966	1.4
350.18790	4.1
352.16312	1.0
355.15427	3.4
359.17120	0.8
360.16898	1.3
364.16534	5.5
369.16879	1.4
370.17587	12.0
376.20239	4.2
378.18066	14.4
380.16064	1.1
381.17087	1.5
382.17419	8.4
394.17569	3.2
396.19308	5.7
404.19604	8.8
406.17734	0.9
410.20685	13.2
414.20316	12.2
420.18976	1.6
422.20929	8.6
436.22321	5.9
438.20316	1.2
447.20233	1.2
448.18509	1.2
454.23398	6.5
458.21472	0.9
465.21652	1.0
488.22003	1.2
491.22781	0.9
494.22540	1.0
503.22559	1.2
509.23459	0.8
513.25177	0.9
520.24438	1.0
525.25024	1.0
541.24084	1.0
547.25885	1.3
589.27118	0.9
603.28656	0.9
607.27576	25.6
619.27307	2.8
619.44470	0.7
633.29053	11.2
651.30212	100.0
652.30511	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	651.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81804	1.0
55.05510	1.4
57.03434	4.4
58.33699	0.8
65.60105	0.9
67.05491	1.1
69.03419	12.2
73.06548	1.9
76.56541	0.9
79.05486	4.8
79.55609	0.9
81.03421	1.8
81.07063	2.4
83.01329	1.4
85.02880	1.3
91.05471	4.0
92.09276	1.9
93.07040	2.0
94.06567	1.4
95.08617	1.0
96.04462	2.2
97.06543	4.5
97.08117	1.2
101.06050	3.7
105.07037	1.1
107.08595	2.0
108.08161	1.3
109.06516	2.5
115.03915	3.9
119.08540	7.1
121.06483	1.9
121.10174	2.1
121.89090	1.0
122.06046	6.8
122.09644	1.2
124.07605	6.6
125.06019	8.2
126.09130	15.2
129.07019	1.4
135.08037	1.5
136.07570	4.2
147.08049	7.8
149.09619	9.4
152.07091	5.5
163.60573	1.1
165.09151	2.2
168.28873	1.0
171.11533	1.0
175.07542	5.3
186.08012	1.2
187.08749	2.2
188.09459	1.8
190.08632	1.3
191.06953	1.3
192.10210	1.6
193.08693	1.4
196.09860	1.4
207.10258	2.5
208.09636	7.2
215.11861	4.5
225.11324	7.9
235.09778	1.5
239.11830	1.3
242.10356	1.1
243.11235	18.3
252.12321	4.7
260.11603	2.2
261.12216	8.1
267.11279	8.1
270.13385	5.3
298.03009	1.0
302.12057	1.1
307.12930	1.1
309.14624	1.7
319.14005	1.2
320.14124	1.2
322.15521	1.1
336.17175	5.8
337.15363	2.2
346.15384	1.5
347.95541	1.1
355.15250	1.5
360.17065	1.7
364.16531	17.6
381.17017	1.7
382.17551	66.8
383.17908	1.3
388.16693	4.9
394.17877	1.6
404.19724	1.7
406.17596	21.3
422.20880	4.8
434.17194	4.4
451.19919	6.2
477.20917	1.2
526.23578	1.4
528.24835	2.5
533.24158	2.1
588.26978	5.8
590.27759	1.2
606.27667	1.3
633.28955	1.9
651.30206	100.0
652.30658	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	651.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35687	1.0
54.47440	1.2
60.96086	1.2
69.03422	8.9
71.12989	1.3
91.05470	1.6
93.06971	1.5
105.07045	1.6
107.08576	2.3
116.09773	1.2
122.06016	10.4
127.03902	1.4
162.07913	2.1
187.08601	1.6
189.10292	2.1
190.08710	1.9
201.10378	1.4
213.10190	1.7
215.11832	2.3
217.09685	9.8
220.65543	1.2
226.10858	1.8
229.13374	5.7
241.09740	2.6
243.11375	8.3
247.10855	1.5
249.12460	1.8
255.14967	6.1
257.12787	21.7
267.11404	5.3
274.88028	1.8
283.14398	8.5
289.15524	2.2
296.14133	2.7
318.16241	1.6
336.17114	2.3
338.14902	5.4
341.14883	1.7
344.18362	1.4
350.18695	2.5
360.16907	1.9
364.16559	6.4
370.17624	12.8
378.18042	12.9
382.17697	8.1
388.16537	2.3
388.99704	1.5
394.17676	2.3
396.19330	6.1
400.22910	1.5
404.19565	10.0
410.20633	18.9
414.20142	10.4
418.17151	1.6
420.19559	1.6
422.20938	7.7
431.19958	1.6
436.22266	5.2
447.20822	2.1
454.23611	5.2
488.21759	1.7
589.26318	2.0
607.27563	19.4
619.27563	2.2
630.81592	1.6
633.29150	8.5
651.30206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91167	0.4
55.05490	0.4
60.05645	0.3
63.82548	0.4
65.35937	0.5
66.17953	0.4
67.05488	1.0
69.07045	0.8
73.10698	0.5
79.05463	2.5
81.03392	1.7
81.07054	1.1
83.08588	0.7
85.02901	0.8
91.05444	1.0
93.07002	3.1
95.08562	0.7
97.02844	0.6
97.06493	0.4
105.06982	0.9
107.08580	0.9
109.06456	0.6
119.08578	1.8
121.06376	0.5
121.10120	2.9
122.09641	0.9
123.11665	0.5
124.07575	2.4
131.08572	1.0
133.10089	0.7
135.04378	0.5
136.07571	0.7
137.02361	0.5
138.09148	6.1
147.06810	0.5
147.08031	0.7
148.11151	0.7
149.09570	0.8
153.01805	0.7
163.03867	0.8
164.10672	7.9
174.09099	0.7
176.10667	2.5
177.09119	0.8
187.08702	0.6
192.10214	4.0
195.10172	2.0
201.06589	5.0
202.07292	0.5
204.10204	4.5
210.11270	4.7
211.08588	0.5
213.05490	0.6
213.10194	2.2
215.08133	10.9
216.08907	9.8
217.09647	1.9
222.11203	0.9
225.06534	0.5
225.10085	0.8
227.08061	1.9
231.11235	5.8
234.09993	0.5
240.08957	0.9
240.12210	1.1
241.09644	1.9
241.13278	0.6
245.09305	1.9
245.12758	0.5
249.12221	2.8
257.09079	3.6
258.09882	0.7
260.07855	13.5
261.08630	10.2
263.68564	0.6
271.10718	1.8
273.12057	0.5
274.09384	2.5
275.10211	100.0
276.10452	0.9
284.08005	3.6
284.11176	0.6
285.08795	1.9
285.12314	5.7
286.09406	9.5
287.10202	1.9
299.10205	13.5
300.11057	2.3
301.11807	24.7
310.11807	0.9
313.08133	1.1
315.09943	0.8
315.13272	6.4
316.14069	0.7
317.11621	0.7
319.16684	0.8
321.14304	0.5
323.12311	0.6
327.09708	9.8
328.14194	0.6
329.11212	1.0
329.14996	0.5
331.09109	1.6
336.13449	0.7
337.13971	0.6
343.16663	0.8
345.10718	9.8
347.12427	6.4
347.16312	0.8
350.15048	0.8
355.15390	0.9
376.12823	0.6
377.13745	0.8
378.18076	6.0
380.19449	0.7
390.18051	5.5
391.15204	0.6
402.18253	4.4
406.17529	23.5
408.19095	2.9
412.18622	24.4
418.17584	1.0
434.17212	1.0
436.18634	2.3
452.18027	17.7
458.23041	1.7
466.19608	10.6
482.19159	8.4
484.20969	6.3
496.20700	1.0
514.21448	2.3
589.26379	9.7
603.27991	2.6
615.27808	1.1
619.27527	7.0
621.29144	17.5
633.28992	6.2
651.30176	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	651.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75381	0.7
56.85202	0.6
57.03435	3.3
61.24887	0.8
63.84545	0.7
69.03413	4.3
81.07040	1.0
85.02905	1.0
86.06053	1.6
87.04449	0.8
92.09319	2.5
95.04955	1.1
98.06081	1.3
107.07312	1.5
107.08624	1.1
115.03907	2.0
117.45813	0.8
119.57362	0.8
120.08130	1.2
120.17082	0.9
121.16261	0.9
122.06004	4.1
122.09669	9.9
123.08050	2.0
124.07597	0.9
126.09158	3.2
134.27592	0.8
136.04065	0.9
136.07581	1.9
149.02359	3.8
149.09628	4.1
150.97742	0.8
152.07048	1.3
154.08638	4.1
154.91357	0.9
161.07124	1.0
166.08640	1.0
172.06134	0.9
173.07115	4.2
175.08679	5.3
177.09177	1.7
186.07954	1.1
187.04997	1.2
187.08678	0.9
188.07111	1.2
191.08130	20.3
194.11685	1.2
199.08681	1.1
201.06654	0.9
203.08125	27.9
203.10025	1.0
205.09799	6.4
212.96332	1.0
213.10249	1.4
215.15485	1.3
217.06050	24.7
217.09615	1.5
218.06638	1.0
219.07622	6.8
227.07999	1.3
227.11786	4.1
228.12498	1.2
229.13391	1.7
231.07712	3.3
233.09264	1.8
235.10721	1.3
240.12251	9.3
241.09808	3.4
243.14882	11.6
245.09203	1.3
247.07092	57.0
250.09477	1.2
251.10278	1.8
257.09253	1.8
257.12915	1.4
259.07101	1.9
261.08755	3.5
269.13068	1.0
271.10684	1.2
272.00656	0.9
273.12424	1.9
275.06577	100.0
276.07346	49.5
277.08154	45.2
285.08844	2.0
300.11182	1.9
301.11758	35.2
316.06320	0.9
327.09592	1.0
339.13174	2.0
340.28799	1.1
359.70810	1.0
361.14209	1.3
367.13025	4.5
385.13779	8.0
391.12936	1.0
398.17105	1.1
407.16037	5.0
412.15015	1.1
464.18259	3.9
478.16254	4.3
484.20605	1.9
496.17657	1.2
514.18152	69.0
537.82458	1.1
621.29156	6.9
651.26501	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15792	0.6
67.05509	0.8
68.16244	0.8
69.03408	1.3
79.05486	1.4
80.54854	0.6
81.03394	0.7
81.07018	0.9
82.70064	0.8
85.02871	1.5
91.05458	1.4
93.07018	4.4
96.04446	1.0
105.07001	1.6
105.52647	0.9
107.04948	0.9
107.08620	1.3
109.02830	1.2
115.05473	0.8
115.94451	1.0
119.08592	1.3
121.06477	4.6
121.10119	5.7
122.09641	4.4
123.08047	7.2
131.08539	2.9
135.08049	1.8
149.09602	18.7
150.05432	1.1
159.08000	1.2
163.03893	0.9
177.09055	17.1
185.07121	1.1
186.07912	1.4
187.08702	4.0
194.11723	15.1
199.05217	2.1
200.05733	1.2
203.08038	1.4
205.09756	0.8
213.06615	1.5
215.08171	3.8
217.06096	2.0
217.09746	1.3
218.06871	3.5
231.07741	1.1
233.09239	4.1
235.10771	9.8
257.09335	1.5
259.07089	7.9
259.09784	1.1
261.08536	5.7
271.10800	1.0
277.08151	100.0
285.08521	1.0
287.10190	1.2
377.43729	0.9
378.31641	0.9
398.16782	1.6
409.17703	6.3
414.16367	4.6
438.19879	1.6
470.19037	7.6
514.18268	8.2
607.27460	14.0
633.25500	3.6
650.53308	1.1
651.26471	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	651.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61715	0.3
51.98177	0.3
55.05483	0.6
57.03404	0.4
67.05466	0.6
69.03380	0.4
69.07018	0.5
72.29211	0.3
72.92832	0.4
79.05466	0.7
81.03380	0.5
91.05412	1.6
93.07005	2.7
95.08565	0.6
96.04452	1.8
105.06985	1.8
107.04939	0.5
107.08537	1.8
116.06165	0.4
119.08517	0.5
121.06487	4.4
121.10125	4.0
122.06007	0.4
122.09584	0.8
123.08041	6.2
127.03870	0.3
131.08545	3.6
135.08005	2.4
137.02243	0.4
138.09093	0.5
143.08510	0.3
147.07964	0.6
148.05060	0.4
149.02304	0.4
149.09608	18.1
159.03107	0.4
159.07997	0.8
164.06969	0.3
176.10635	0.3
177.09058	14.4
185.07019	1.4
186.07851	1.9
187.08681	3.4
194.11726	13.2
199.05014	3.8
200.05772	1.6
203.08113	0.4
205.09673	0.5
213.06526	2.4
214.07314	0.4
215.08170	2.9
217.06123	3.6
217.09688	0.4
218.06779	2.9
218.50804	0.4
226.11012	0.4
231.07631	1.3
233.09221	3.3
235.10762	1.8
247.07054	1.6
249.08740	0.4
251.10141	0.6
257.09268	1.5
259.07037	4.9
259.10834	0.4
261.08606	4.0
271.10825	0.6
275.06546	1.3
276.07407	1.5
277.08148	100.0
278.08435	0.5
283.10681	0.4
285.08670	1.7
287.10516	0.7
299.10297	0.6
300.10980	0.4
301.11682	0.8
301.28726	0.4
314.49261	0.4
331.76730	0.4
335.49231	0.4
398.17041	0.7
409.17514	5.9
414.16461	6.1
438.20142	0.6
468.17371	0.8
470.19092	6.8
514.18073	8.9
607.27533	12.2
633.25574	0.6
651.26520	20.1
651.37500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69774	0.2
62.41457	0.2
75.30963	0.3
79.05433	0.4
81.07030	0.3
83.66795	0.2
85.02826	0.3
91.05408	0.3
94.06524	0.5
99.04427	0.3
106.06521	1.3
107.04925	0.4
122.05991	0.6
122.09628	0.5
124.07529	0.6
134.05951	0.3
137.02309	0.3
137.05914	0.3
141.67879	0.3
142.58456	0.2
150.05449	1.5
152.07062	0.6
163.03873	2.0
178.04958	1.5
186.11646	0.3
199.12309	4.6
200.13074	4.1
213.13831	0.5
218.10445	0.5
225.10194	0.4
226.10904	0.5
235.10893	1.0
236.09012	0.3
238.91476	0.3
241.13329	11.0
243.11270	0.6
245.12762	0.3
258.13663	2.9
259.14383	100.0
260.14563	0.6
271.10611	0.4
285.12308	3.0
289.11935	0.4
321.18384	0.4
350.15009	1.2
352.20209	0.6
359.79117	0.3
362.18787	0.3
364.20544	0.4
365.17648	1.8
366.18298	1.1
380.19638	8.5
381.20471	0.3
382.21210	54.0
383.21494	0.4
406.17593	1.1
408.19083	1.9
425.19434	1.6
426.20181	24.2
452.18292	0.6
456.21259	21.8
457.21396	0.3
482.19028	1.4
605.26282	0.3
621.25317	3.7
651.26526	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	19.4
55.05506	48.9
57.07094	4.0
65.03948	3.6
67.05499	58.5
69.07040	28.2
70.27083	4.1
77.09945	4.0
79.05470	77.4
81.03413	10.2
81.07038	100.0
83.04971	17.9
83.08617	22.2
89.73538	4.0
91.05463	58.6
92.64868	4.9
93.07022	50.5
95.04948	25.3
95.08589	27.7
97.06534	6.6
97.10165	36.9
105.07010	36.5
107.04953	26.0
107.08582	30.9
109.02847	4.8
109.06505	22.0
109.10161	24.1
111.04433	19.5
111.08076	4.9
117.07024	23.0
119.05009	4.1
119.08556	34.4
121.06483	19.0
121.10119	16.2
123.08054	24.2
125.09620	26.2
128.06229	5.1
129.06982	9.7
131.08569	24.8
133.06474	10.4
133.10110	18.3
135.08058	20.4
135.11708	8.5
137.09575	6.4
143.08549	7.1
145.06456	7.0
145.10123	20.6
146.81479	4.1
147.07999	17.1
147.11670	7.1
149.09576	6.5
155.08505	5.9
157.10139	9.1
159.08075	9.1
161.09546	16.4
163.11197	27.6
165.08960	4.4
175.11198	5.3
181.12201	7.2
184.07234	5.5
189.11200	10.4
191.10680	4.0
193.12236	27.2
255.17310	5.2
273.18472	45.2
289.17917	37.1
291.19540	78.1
307.19086	8.2
309.20496	7.0
336.42560	4.2
383.38998	4.1
455.04712	4.4
579.36273	6.5
597.37585	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37831	1.1
53.03948	2.6
54.82421	1.5
55.01876	9.5
55.05507	35.4
56.19309	1.4
57.03431	5.5
65.03928	1.3
67.05496	28.0
69.03416	6.1
69.07059	14.0
71.04955	2.7
79.05472	49.7
79.05898	2.3
81.03403	7.6
81.07039	67.6
83.04958	11.1
83.08606	18.8
85.02891	1.6
85.06532	1.4
91.05462	28.5
93.07025	28.7
94.53030	1.3
95.04941	21.8
95.08580	15.6
97.06524	6.6
97.10154	29.1
98.88432	1.4
105.07028	23.0
107.04935	14.8
107.08582	24.5
109.02833	2.0
109.06527	12.8
109.10165	7.2
111.04456	10.7
111.08086	5.8
117.06996	17.8
119.08559	36.8
121.06472	13.3
121.10142	16.7
123.08035	9.0
124.60065	1.5
125.09627	17.5
129.06978	7.7
130.07787	1.7
131.08537	16.3
133.06482	5.7
133.10117	8.7
134.39482	1.9
135.08032	10.1
135.11691	7.2
137.09604	5.6
143.08560	8.0
145.06500	3.4
145.10107	20.4
147.08037	17.2
147.11691	3.1
149.09636	8.8
149.53629	1.4
153.09117	6.3
153.12715	3.0
155.08611	2.2
157.10115	10.4
159.08037	4.8
159.11700	5.9
161.09546	12.0
163.11200	14.3
165.09116	5.5
169.10069	1.7
171.10306	1.6
171.11586	4.1
173.09612	2.5
175.11192	2.6
181.10175	1.5
181.12219	6.6
185.13272	2.9
189.09468	1.6
189.11235	8.7
191.10649	7.8
193.12192	11.4
197.13089	1.5
199.11153	2.8
223.13248	2.8
227.12749	2.3
231.13881	1.4
249.14854	5.3
255.17427	1.7
271.16827	1.9
273.18469	29.5
289.18042	15.2
291.19498	100.0
309.20639	5.4
350.32178	1.7
428.01486	1.4
431.25919	1.6
458.51901	1.5
539.04822	1.6
597.37433	5.1
604.13416	1.7
615.38336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	4.1
53.03928	13.3
54.85230	2.5
55.01864	6.9
55.05515	27.0
57.03421	18.3
65.52650	2.4
67.05186	4.0
67.05496	66.8
69.03417	25.2
69.07047	15.1
71.04959	12.2
77.60226	2.6
79.05476	100.0
81.03400	43.5
81.07037	66.8
83.04964	21.1
83.08614	11.0
85.02879	13.0
85.06510	2.5
91.05461	89.8
93.07027	74.0
95.04943	45.9
95.08596	36.1
97.02878	11.3
99.04399	3.1
105.07014	67.9
107.04935	17.4
107.08567	23.3
109.06529	6.3
110.82123	2.7
117.07018	27.7
119.08564	43.4
121.06440	4.8
121.10104	4.9
123.08055	11.8
127.03887	3.7
128.06200	12.7
129.06985	36.2
131.08525	27.1
133.06502	3.5
133.10120	21.1
141.07002	5.6
143.08568	27.9
145.06462	4.4
145.10126	16.9
147.07996	5.5
147.11671	26.4
154.82587	3.3
155.08540	3.8
157.06479	4.2
157.10117	4.1
161.13242	11.9
163.11249	3.5
167.08472	3.0
169.10114	5.2
171.08061	3.8
171.11642	37.9
173.04404	4.6
173.13290	2.8
185.09612	3.0
187.11122	4.0
189.12691	5.2
207.13788	16.5
223.14807	3.5
241.15797	5.3
251.14259	3.2
269.15268	5.4
281.17490	36.8
287.16382	4.0
425.21863	5.6
487.30362	40.5
567.32855	4.9
595.32941	3.3
631.34406	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	647.486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88121	1.3
57.07084	1.6
71.08637	3.1
95.51526	1.8
106.62384	1.6
160.15482	2.0
168.26244	1.6
186.67079	1.5
335.22046	2.6
391.24680	2.2
647.48468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74056	0.9
55.01866	13.5
55.05506	13.9
57.03431	18.3
58.52633	1.0
59.04969	1.4
61.02902	2.8
61.56826	1.0
64.33584	1.2
67.05496	26.4
69.03413	5.1
69.07056	7.5
71.04966	4.9
73.02892	1.4
79.05476	100.0
81.03403	34.5
81.07043	20.2
83.04972	14.4
83.08602	14.3
85.02892	30.1
85.06523	1.3
88.67004	1.0
91.05466	43.0
93.07022	63.7
95.04955	21.8
95.08569	8.2
97.02856	2.7
97.06503	5.6
97.10150	2.8
101.46060	1.2
103.05460	1.3
105.07020	34.8
107.04962	8.2
107.08576	36.3
109.06488	5.9
109.10120	2.8
111.08050	7.1
113.05993	1.5
115.05466	1.3
117.07004	1.8
119.08565	16.7
121.06433	2.4
121.10127	30.4
123.08049	1.9
125.09609	1.5
128.06236	1.3
129.05457	7.7
129.06976	12.5
131.08540	29.0
133.06496	2.0
133.10098	7.6
141.06998	1.9
142.07767	1.2
143.07010	1.3
143.08549	1.3
147.08058	2.3
147.11694	13.1
149.09604	72.5
151.11125	1.2
157.10135	12.1
163.03903	2.0
165.12709	1.7
171.11656	1.3
172.66220	1.2
175.11148	10.2
193.12196	23.3
199.03847	1.7
211.11295	1.9
211.13213	19.3
223.13242	27.9
237.00693	1.3
237.46968	1.4
251.56343	1.2
267.09103	1.4
267.15848	6.8
269.10504	1.4
285.16919	79.4
323.20123	1.8
337.14072	1.2
341.20981	1.7
415.24600	7.8
433.25760	44.0
451.26508	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	649.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11547	1.6
64.82043	1.5
70.52303	1.4
83.33748	1.5
100.86533	1.8
110.68859	1.6
136.49002	2.0
137.05998	2.6
141.61009	1.8
144.33139	1.9
243.04808	1.7
299.85309	1.8
401.15948	3.2
408.14154	3.1
563.20831	9.5
605.21954	49.7
631.19995	2.2
649.21002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82177	3.5
57.07059	3.4
74.04607	2.3
85.98992	2.3
96.09032	2.4
149.89241	2.7
244.48769	3.0
515.85223	3.0
645.36884	4.6
645.46936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01876	1.7
55.05503	6.3
57.03428	7.1
59.99094	2.9
61.02921	8.0
69.03421	21.7
72.08138	6.4
73.02903	2.1
73.06538	31.6
80.95944	1.0
81.03422	9.6
81.03824	1.1
85.02895	100.0
86.06037	1.9
97.02882	23.8
97.40765	1.1
98.61327	1.0
99.04427	4.7
100.11645	1.1
102.03709	1.1
106.06548	47.1
108.69936	1.3
109.02873	6.8
115.08660	4.5
127.03902	17.6
132.04782	22.7
134.05983	6.8
145.04999	15.8
149.41864	1.1
157.13361	5.8
163.06047	4.6
208.05394	1.8
217.10027	17.4
255.74509	1.7
280.11050	2.1
307.76208	1.1
325.11145	2.8
379.15067	1.6
541.20422	8.2
645.30664	2.8
646.25189	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	647.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83036	0.2
54.93658	0.2
55.05505	0.3
57.06781	0.3
57.07067	7.4
58.06582	0.5
59.04965	0.3
62.06071	0.3
70.06579	9.2
71.08611	2.8
78.63515	0.3
85.10163	1.0
86.06065	0.3
88.07612	14.0
93.07031	0.4
102.09174	4.4
105.07035	0.3
106.08650	6.7
129.07001	0.2
161.13393	0.3
212.23721	2.4
212.28938	0.3
254.24609	0.5
255.25165	0.5
256.26279	5.8
273.25916	0.5
274.27353	100.0
275.27771	1.5
364.57034	0.3
647.33478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19127	1.1
53.58452	0.9
53.83625	0.9
62.23205	0.9
71.08604	1.6
71.64941	1.1
85.10150	1.6
95.08601	1.1
100.32278	1.0
140.58257	1.2
151.02509	1.2
170.98468	1.4
335.21948	5.8
391.24792	4.2
519.86346	1.2
647.48486	100.0
648.48547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.03424	3.5
57.07077	5.2
58.06593	36.2
59.07372	12.8
60.08151	10.4
67.05489	4.1
69.07059	1.3
69.17860	0.7
70.03417	0.6
71.08613	4.0
75.04459	3.3
79.05473	1.2
81.07042	1.8
83.08602	2.9
85.02901	2.7
85.06582	0.8
85.10165	1.3
87.04465	4.1
89.06018	1.3
89.46056	0.6
91.05478	1.1
93.07044	0.8
95.04941	1.2
95.08596	3.2
97.10150	4.0
102.05540	0.7
105.06996	1.7
109.10136	1.4
111.11689	0.8
113.06013	1.0
125.09638	2.7
131.07039	1.2
141.87329	0.7
144.10182	17.2
162.11206	6.0
177.72958	0.7
184.13254	0.7
218.13834	1.1
235.16725	0.7
236.14899	100.0
388.23260	11.5
406.24277	7.8
456.36942	10.0
474.37836	22.0
626.46045	3.1
644.47211	91.9
645.47314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	5.5
60.05631	0.9
69.03423	0.4
69.04551	0.4
70.06575	2.1
83.06094	2.1
84.70161	0.4
95.06078	1.8
105.49359	0.4
111.05563	5.4
112.08778	0.5
113.07115	3.2
120.04504	1.4
123.05590	0.5
126.06647	2.2
127.07378	1.6
132.04445	11.0
132.08075	0.5
134.06029	3.0
137.04623	0.7
140.08186	2.2
147.04417	0.6
148.03972	0.5
150.05458	4.2
151.06133	4.6
152.07040	0.4
165.06587	0.6
176.06989	2.0
187.08665	4.4
189.06563	0.7
202.09695	3.3
203.08144	1.9
216.11285	0.6
230.09280	3.5
231.07628	25.2
232.10773	0.7
233.09068	0.8
233.13957	7.9
234.12367	0.4
242.09198	1.6
249.13557	0.6
255.08757	0.7
257.10297	3.5
259.11853	22.7
260.10193	1.5
277.12933	81.2
278.13342	0.9
284.11395	2.6
301.14102	0.9
302.12457	46.3
303.12851	0.6
319.15106	100.0
320.15536	1.0
618.93195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05494	0.5
57.48536	0.4
58.62162	0.5
59.04990	0.5
66.36551	0.5
67.05488	0.7
79.05477	5.0
81.07023	2.4
87.04437	1.4
89.06015	13.1
90.75541	0.5
91.05495	2.3
93.07022	4.0
95.04942	2.6
103.05457	3.7
104.88002	0.6
105.07022	100.0
106.07349	0.6
114.37484	0.7
119.08552	2.1
121.06506	9.6
131.08571	0.9
133.08603	7.5
147.08075	1.0
149.09637	0.7
165.09094	4.1
177.11203	0.9
209.11650	0.6
225.12796	2.3
227.12639	0.8
235.63643	0.6
251.14232	0.8
269.11606	0.6
269.15302	0.8
281.04025	0.6
312.83688	0.6
315.18011	10.3
329.19272	0.7
404.51733	0.6
419.24191	16.5
523.30273	4.7
524.30603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.87069	0.4
55.05508	0.7
57.07127	0.4
57.74333	0.4
67.05492	2.6
71.01653	0.5
73.07082	0.4
73.53687	0.4
76.10561	0.6
79.05477	7.0
81.07040	3.6
87.04456	2.3
89.06021	12.9
91.05473	2.9
93.07014	3.8
95.04945	2.6
95.08633	0.7
96.32311	0.5
97.92127	0.5
103.05473	3.8
105.07021	100.0
107.08585	0.7
117.07051	0.9
117.13574	0.6
119.04887	0.7
119.08563	0.6
121.06493	12.2
128.50610	0.5
129.07034	0.7
133.08624	6.1
147.08018	1.2
165.09126	3.6
200.02596	0.5
209.11647	0.9
209.13368	0.9
225.12785	1.0
251.14288	1.2
288.68164	0.6
291.19437	0.7
315.18054	9.2
322.27377	0.7
329.18906	0.6
348.23318	0.5
419.24200	18.0
487.69345	0.7
523.30475	3.2
623.38025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	31.2
55.05506	82.4
56.86076	8.3
67.05494	64.0
69.07061	16.0
79.05469	67.0
80.93095	7.2
81.07027	71.6
83.04958	12.2
83.08624	18.0
89.05999	11.3
91.05473	100.0
93.07027	60.5
95.04953	39.1
95.08559	60.2
97.06544	9.9
105.07005	67.8
107.04958	16.1
107.08569	14.2
109.06483	12.0
109.10133	10.2
111.08073	10.3
117.07016	49.2
119.08569	35.2
121.10157	8.7
122.73952	7.7
128.06241	11.1
129.06999	43.0
131.08510	54.2
133.10129	15.2
141.06995	19.1
143.08549	32.0
145.10132	32.9
146.78470	7.4
147.07985	12.3
149.09637	15.4
155.08533	17.1
159.11685	10.6
163.11169	18.8
163.57645	8.1
169.10130	8.9
171.11694	14.8
171.22612	8.1
189.12851	8.0
205.89238	8.6
221.48073	7.4
275.19995	40.5
293.21030	10.2
346.06830	8.3
392.59280	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	644.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
55.05505	7.3
57.03430	10.3
57.07068	68.5
59.19928	0.8
61.02913	28.7
64.71193	0.8
67.05492	15.8
69.03413	4.0
69.07061	15.2
71.08614	51.2
73.02892	9.6
75.04460	3.2
79.05473	1.3
81.03396	1.5
81.07040	24.3
81.92821	0.7
83.08625	6.9
85.02895	26.7
85.10172	28.9
89.06010	4.9
91.03929	19.4
93.07029	1.5
95.08591	39.3
97.02875	15.8
97.10159	6.8
99.04460	1.1
99.11687	0.9
103.05555	1.0
105.07011	1.8
109.02907	1.0
109.10147	17.1
111.11682	3.4
123.11690	7.6
127.03895	5.7
137.13223	3.3
145.04959	6.1
163.06013	6.8
193.19502	2.0
211.20537	24.9
229.21681	6.8
275.03061	0.9
285.24194	100.0
303.25238	41.1
333.20151	0.9
609.34772	2.8
616.56189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.8
57.03429	5.9
57.07072	58.4
61.02909	30.7
67.05502	15.5
69.07049	18.5
71.08618	44.3
73.02917	5.5
74.26244	2.8
81.07036	23.2
83.08591	3.5
85.02885	33.8
85.10159	24.1
91.03948	20.2
91.05508	2.9
95.08590	33.0
97.02860	5.2
97.10165	5.8
104.16380	2.9
109.10155	24.1
123.11697	5.2
127.03947	3.9
131.08534	3.6
137.13240	4.0
145.04967	3.9
147.11609	2.8
163.06003	6.8
211.20543	21.1
244.11617	3.3
285.24207	100.0
303.25323	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.39169	1.9
55.01872	3.6
57.03423	8.7
61.02921	2.9
68.99775	9.1
69.03411	24.9
70.58875	1.9
73.02905	4.4
79.05464	2.1
81.03410	26.7
83.04977	3.5
85.02898	50.4
87.00812	28.8
91.05475	22.3
93.07044	2.5
95.04984	2.4
97.02884	26.3
99.04443	8.6
103.03901	3.4
103.05470	25.9
105.01855	9.3
105.07040	11.2
107.04957	30.5
109.02860	22.2
111.04418	3.8
115.05444	4.5
117.01801	3.6
117.07001	3.6
119.04928	9.8
120.00412	2.0
121.06484	4.8
122.03594	2.8
127.03908	20.5
129.01851	3.6
129.07011	5.2
131.04916	55.8
133.02841	4.6
133.06461	13.2
135.04408	13.6
135.08061	9.4
137.02335	98.4
137.03381	4.9
137.05968	100.0
141.07016	2.4
143.04895	2.2
145.04990	4.5
145.06541	6.0
146.03616	2.9
147.04393	9.4
148.05078	3.2
148.11060	2.8
149.05995	16.0
151.03885	5.3
151.07544	24.0
157.06445	4.1
159.02940	4.9
159.04413	12.5
159.07933	2.7
160.05202	3.0
161.05952	75.9
161.09578	16.9
162.06708	4.8
163.03900	10.1
163.06233	4.1
163.07529	74.2
163.72557	2.5
167.08577	3.4
169.06456	9.9
174.06821	2.4
175.07526	19.4
176.04684	10.3
177.05487	5.0
177.09111	4.2
183.04407	2.9
187.07564	10.1
188.04709	3.6
189.03920	13.4
189.09106	42.2
191.07008	77.4
195.07990	3.1
197.05978	11.7
199.07558	4.2
201.09088	8.7
203.07034	38.4
205.08537	3.2
207.10123	35.0
214.06146	2.3
215.07013	9.5
219.10138	4.4
225.09076	3.0
227.10670	7.8
229.08510	17.7
231.06502	3.5
233.08005	21.7
253.08560	3.6
255.10175	8.3
257.08078	13.9
269.08002	2.9
273.11169	2.8
275.09088	9.6
285.11288	2.7
287.12778	9.7
293.10431	2.2
311.12827	8.9
313.14105	3.6
315.12216	2.5
331.15408	20.9
338.07034	2.1
343.15408	3.0
355.15411	2.9
361.08853	2.6
379.10211	20.2
439.98495	2.4
461.11411	2.8
479.11731	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	644.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16850	1.0
52.57919	0.9
53.03933	4.8
54.34880	0.8
55.01865	8.3
57.03423	6.0
59.10687	0.9
61.02907	4.4
61.33092	0.8
68.99775	3.7
69.03414	23.1
69.20722	0.8
71.04976	1.7
73.02897	4.9
76.56271	1.0
79.05467	4.6
81.03403	24.7
85.02892	53.1
87.00806	32.0
89.03918	1.2
91.05461	10.9
95.04938	3.8
97.02878	19.6
99.04428	8.2
103.03944	5.8
103.05428	10.4
105.01850	12.7
105.07012	18.9
107.04938	15.6
109.02866	19.8
109.06479	1.2
111.04418	4.7
115.03873	1.3
115.05462	5.2
117.01858	1.0
117.06969	1.9
119.04917	13.1
121.06514	5.3
122.03629	4.6
127.03889	23.0
129.01807	5.1
129.07007	5.4
130.04128	1.6
131.04904	26.0
131.08615	1.0
133.02866	5.3
133.06476	18.8
135.04402	1.6
135.08043	7.6
137.02318	25.0
137.05951	100.0
141.06953	4.2
143.04956	3.6
145.04956	4.9
145.06477	4.3
146.03714	1.7
147.03383	1.1
147.04381	11.2
148.05135	1.4
149.05959	17.9
150.06709	2.0
151.03908	1.6
151.07520	23.0
155.08432	1.4
157.06483	5.6
158.07291	1.0
159.02887	6.3
159.04391	10.0
159.08057	1.4
159.09331	0.9
160.05222	1.7
161.05946	58.2
161.09557	15.0
162.06714	6.1
163.03888	14.3
163.07501	46.1
165.06889	1.3
165.09044	11.0
167.08464	1.0
169.06364	6.5
170.07150	1.0
171.04443	1.5
173.05876	1.2
174.06737	5.5
175.07518	15.6
176.04666	6.1
177.05464	4.4
177.09087	5.8
179.06982	4.1
179.08481	1.2
181.08539	8.0
183.04427	1.8
187.07538	6.1
188.04657	4.5
189.03934	5.9
189.05502	1.9
189.09074	34.4
190.06256	1.2
191.06995	38.9
191.08620	1.9
193.08537	1.3
195.08020	1.8
197.06001	7.6
198.06825	1.2
199.07666	2.2
201.09125	5.2
203.06999	34.8
203.10327	1.1
205.08574	5.1
207.10132	41.2
211.07559	2.1
211.09521	0.9
212.35161	0.9
213.09032	1.3
214.06329	1.1
215.07008	5.5
217.08614	3.7
219.10213	1.4
221.05977	1.9
221.09705	1.2
223.07510	1.7
227.10713	5.4
229.08498	10.1
231.04820	2.0
231.10123	1.7
233.07997	12.4
247.09268	1.1
249.11272	4.4
253.08542	1.6
253.12219	2.2
255.10086	5.1
257.08011	8.3
267.10101	1.0
269.07953	1.8
273.11237	8.6
275.09106	6.3
281.11670	1.1
285.11142	6.2
287.12711	2.1
291.12280	6.7
293.10172	3.9
297.11169	2.2
311.12613	2.3
313.14255	6.2
315.12250	1.6
325.14276	1.1
331.15320	33.9
343.15219	7.2
355.15359	1.9
361.09085	1.8
367.15179	1.4
377.11319	1.1
379.10031	11.9
391.16394	1.1
395.13318	1.2
395.81503	1.1
397.16449	1.3
421.16287	4.1
439.17523	3.8
451.17133	1.5
461.10489	1.7
469.18393	1.2
604.94751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12250	1.5
54.38700	1.3
54.52989	1.3
55.05511	2.8
55.73258	1.4
60.67236	1.6
61.46549	1.5
67.05504	6.3
69.07064	2.5
75.21131	1.6
79.05495	3.3
81.07047	3.8
91.05466	2.5
93.07039	7.9
95.08592	2.8
95.11774	1.6
105.07028	8.4
123.41879	1.7
202.99785	1.8
203.01811	1.9
330.11935	1.9
411.14435	10.0
413.16104	2.8
425.16141	11.3
426.16718	8.4
439.13486	14.0
441.19177	38.6
453.15363	15.2
454.16211	4.1
467.17169	25.3
468.17831	19.2
469.18555	11.4
471.46820	2.2
481.14471	21.1
482.15936	2.6
495.16476	3.7
496.17303	17.3
555.21991	19.1
583.21857	100.0
584.21912	2.9
615.23834	6.6
642.40326	3.0
643.13464	3.4
643.23810	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	643.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
59.03291	0.5
64.60575	0.5
67.05485	3.2
69.07053	1.4
69.76582	0.6
71.01429	0.5
79.05482	1.2
81.07041	4.7
82.39008	0.6
88.55299	0.6
93.07022	1.2
95.08596	2.7
107.08598	1.1
109.10135	5.4
115.88615	0.7
119.08567	1.1
122.07284	0.8
137.09595	9.4
155.36986	0.6
165.09085	100.0
294.31363	0.6
309.36484	0.7
345.50714	0.6
367.50034	0.7
445.36478	0.9
652.57599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07746	0.9
53.00285	1.4
53.03944	2.0
54.81838	1.7
55.01871	3.1
55.05505	19.4
57.03414	6.1
57.07068	48.3
65.03926	1.3
65.49861	1.1
67.05148	1.7
67.05495	46.1
69.07052	20.4
69.08767	1.2
71.04961	2.3
71.08617	33.8
71.62177	1.4
79.05476	35.7
81.03429	1.7
81.07038	57.1
83.04973	11.7
83.08604	18.7
83.73612	1.2
85.10165	13.1
91.05453	21.3
92.95958	1.4
93.07029	28.3
95.04944	11.8
95.08588	37.1
97.06500	5.4
97.10142	6.4
99.08055	1.7
103.11985	1.2
105.07010	12.0
107.08588	15.1
109.06465	1.8
109.10155	14.3
111.08048	2.3
113.09625	1.4
117.06995	7.0
119.08542	6.6
121.10125	6.8
123.11643	2.1
124.48288	1.2
131.08524	9.7
133.10078	6.8
135.11674	2.6
147.11664	2.4
149.13232	7.9
151.11176	6.5
159.11711	5.0
161.13310	1.9
163.11101	1.8
219.49712	1.3
239.23770	1.9
259.20471	1.9
260.66486	1.2
269.17377	8.9
277.21509	1.7
313.27252	23.6
342.03159	1.3
351.25204	7.9
385.06763	1.5
467.37231	1.9
507.40384	100.0
589.47882	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	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.6
57.03427	16.0
57.07071	50.4
67.05500	38.3
69.07063	18.0
71.08626	36.8
79.05473	29.5
80.61455	2.6
81.07038	54.6
83.04995	4.0
83.08603	17.2
85.10178	14.1
89.05969	2.3
91.05471	19.9
92.08649	3.3
93.07029	42.7
95.04968	10.6
95.08589	37.2
97.06529	4.2
97.10159	4.7
105.07021	16.7
107.08592	17.3
109.10168	10.2
109.20154	2.5
117.07025	3.7
119.08524	4.7
121.10161	6.1
123.11626	3.3
131.08546	4.2
133.10150	3.7
135.11711	3.5
149.13246	5.6
154.41074	2.5
186.92973	2.5
195.13820	2.9
195.75551	2.6
217.47083	3.1
239.53960	2.5
257.34512	2.7
269.17426	21.4
277.21594	3.2
313.27328	37.6
351.25287	10.7
471.71915	2.7
507.40442	100.0
589.48108	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	642.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.05495	51.8
56.44999	8.6
57.03416	10.3
57.07066	16.6
58.06594	15.0
65.52637	12.0
67.05481	56.9
69.07049	26.0
71.08610	17.2
79.05461	60.6
81.07035	100.0
83.05025	12.5
83.08606	15.5
89.05995	24.7
91.05452	67.8
93.07034	70.5
95.04949	14.8
95.08559	45.5
105.07007	66.4
107.08577	50.1
109.06544	16.6
109.10137	17.5
117.06950	24.8
119.08556	66.3
121.06497	13.7
129.06975	14.2
131.08556	24.5
135.47223	12.2
144.80333	12.1
145.10107	13.4
147.08032	11.3
149.09596	21.1
163.11113	13.8
181.10191	14.2
218.27510	11.7
236.14812	47.1
275.20084	26.4
300.87531	14.9
610.96100	14.1
642.49463	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	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.6
54.52103	1.4
54.81996	2.1
55.05506	7.6
57.07070	42.4
59.05002	1.8
59.34331	1.6
67.05492	1.6
69.07056	4.6
71.08617	32.9
71.12990	1.8
73.06530	7.2
79.05497	1.9
83.08589	2.3
85.10167	15.7
87.04458	6.9
89.06019	100.0
92.09343	4.7
97.10152	2.8
107.07040	2.4
127.50901	1.9
133.08575	42.2
177.11169	17.5
266.13379	1.8
268.52383	2.2
283.17456	2.9
299.29410	7.5
343.31918	2.4
350.67590	1.9
415.24939	3.1
625.48969	17.2
642.50323	3.7
643.24969	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	642.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
54.42045	1.2
55.01857	6.9
55.05506	2.1
57.03427	2.5
58.85385	1.3
69.03413	11.0
69.48042	1.7
71.04902	1.4
73.02934	1.6
76.56546	1.5
77.96005	1.3
79.05462	8.6
81.03394	16.0
83.04959	8.7
85.02907	16.5
86.74840	1.7
87.00782	6.7
91.05463	39.1
95.04941	2.2
95.08577	1.8
97.02881	8.4
99.04456	6.9
103.05460	37.3
105.03371	3.3
105.07017	37.7
107.04939	6.4
109.02881	11.9
109.06512	3.3
111.04420	2.2
115.05454	9.3
115.54086	1.5
119.04929	58.5
119.05795	2.0
121.06518	2.3
121.10101	1.7
122.03635	3.6
127.03892	11.8
129.06990	6.6
131.04922	74.9
133.02837	100.0
133.06474	32.7
135.04390	3.8
135.07957	1.7
137.02321	27.7
137.05966	69.3
147.04390	13.6
147.08035	2.0
149.06000	6.8
151.07507	23.8
159.02873	2.2
159.07964	3.3
161.05959	71.9
163.03925	16.2
163.07509	24.8
165.05421	24.3
175.07501	10.5
177.05458	2.0
179.07031	18.4
187.07484	14.0
189.09126	2.9
217.08627	3.1
219.08121	5.4
219.10164	1.9
221.09750	1.6
251.10599	7.8
279.10034	2.3
291.10175	2.0
297.04034	2.3
309.11130	3.7
311.12747	29.0
323.12646	3.3
341.13806	2.7
398.69153	1.8
440.53287	1.9
477.09946	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	642.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01862	1.7
55.05514	7.5
57.03409	0.7
68.99779	1.0
69.03424	19.8
71.04981	1.5
79.05471	0.9
81.03407	13.3
81.07058	0.9
83.04968	54.7
85.02895	11.3
85.04040	0.8
85.06534	1.4
87.00800	5.1
88.13038	0.8
91.05428	1.2
92.08611	1.3
97.02882	3.8
99.04445	4.6
103.05424	1.6
105.01828	1.8
107.01291	1.1
107.04939	1.0
109.02884	6.5
109.06455	3.0
111.04438	3.8
113.05959	1.9
115.05424	3.8
115.07546	8.4
117.03371	1.5
117.06995	1.1
122.03624	5.5
123.04386	1.1
125.05981	1.4
127.03880	5.8
128.06198	2.7
129.07008	10.6
131.04918	8.5
133.02794	1.1
135.04387	4.3
137.02364	6.8
137.05963	100.0
143.04863	1.6
144.05693	1.1
145.02831	3.5
147.04349	1.2
149.05977	2.0
151.03885	1.7
151.07536	4.5
153.05478	1.9
155.06050	0.9
157.06468	11.5
158.07211	1.3
159.02922	1.9
160.05183	7.2
161.05928	1.9
163.03879	27.7
163.07497	3.7
171.08020	1.5
172.05148	5.9
174.06731	7.8
175.07510	41.5
185.05873	1.1
187.07513	70.3
189.09064	17.6
191.08559	1.6
199.07501	1.9
201.09065	1.7
203.06836	0.9
203.08522	3.1
205.08496	5.9
211.07509	3.5
213.05429	1.6
215.06999	1.7
217.08539	12.3
219.08157	6.9
219.09924	1.3
227.07005	1.3
231.07991	4.9
232.08730	1.0
233.09662	1.2
239.06889	0.9
240.07784	0.9
241.04926	3.2
247.07457	6.8
248.08284	5.0
251.10623	3.3
255.06502	3.1
259.07593	1.7
261.09064	1.4
263.10565	6.7
264.07724	1.4
265.08441	1.3
269.04446	9.4
270.08817	6.2
271.09534	4.3
276.07761	4.2
277.08591	1.4
279.10141	10.5
280.10876	1.1
281.08176	1.4
283.09647	2.9
287.05457	3.9
291.10101	14.6
292.10913	1.2
293.11548	1.3
296.10361	3.4
297.03839	8.4
297.10944	0.8
308.10269	1.7
311.12701	17.5
313.13995	1.1
323.12753	15.2
325.14105	3.1
329.13623	3.8
341.13776	42.4
353.13373	1.1
395.14935	1.0
440.78384	1.0
477.10245	9.4
539.11279	1.2
559.17792	1.6
580.88654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.1
52.15505	0.1
53.03953	0.6
55.01883	0.5
63.02362	0.2
66.00185	0.1
68.99799	0.1
69.03417	1.6
71.01355	0.2
79.05494	0.8
81.03399	2.6
85.02916	0.2
87.12311	0.1
89.03895	4.7
95.04971	0.1
96.64330	0.1
97.02858	1.1
99.04430	0.2
107.01296	0.2
107.04264	0.2
107.04940	2.6
109.02843	1.6
111.04425	3.9
117.03358	7.5
120.45705	0.2
127.03884	2.4
135.04393	19.2
137.02324	69.7
137.03377	4.9
138.02647	0.3
138.91235	0.1
145.02827	14.7
146.03197	0.2
151.03889	0.5
155.03392	0.7
163.03873	100.0
164.04259	1.3
194.88017	0.1
228.37193	0.1
245.09520	0.2
263.05420	0.3
281.06345	0.7
299.07458	0.2
327.31531	0.1
334.18076	0.2
377.15845	0.3
461.10669	16.2
575.13245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.01859	0.4
55.05519	2.1
57.03451	0.2
60.68104	0.2
64.97869	0.2
67.05527	0.4
69.03431	1.6
69.07106	0.3
69.71069	0.2
70.42607	0.2
79.05496	1.5
81.03396	3.2
81.07052	0.5
83.04966	2.7
85.02893	0.7
89.03911	5.3
95.04961	0.3
97.02899	1.1
107.04941	2.4
108.93792	0.2
109.02887	1.6
111.04428	32.5
113.06025	0.4
117.03358	8.9
124.07613	0.4
127.03867	2.2
135.03352	0.6
135.04398	20.7
137.02332	67.1
137.03391	5.0
138.02612	0.3
143.39803	0.3
143.98363	0.3
145.02838	16.5
147.04440	1.2
147.11700	0.3
163.03880	100.0
164.04202	0.5
202.67708	0.3
281.06363	0.3
283.15225	1.5
461.10709	15.2
557.12030	0.5
575.13202	0.4
607.15680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27368	0.6
53.03939	1.6
55.01868	1.1
55.05266	0.9
55.05506	11.6
61.53633	0.5
68.19136	0.6
69.03416	40.4
69.75573	0.6
71.04998	2.5
79.05465	1.1
81.03397	16.2
82.48799	0.7
83.04963	51.2
85.02886	1.3
85.06512	1.6
87.20795	0.7
89.03898	2.9
91.05454	1.0
97.02880	2.9
99.04419	6.2
103.05461	5.2
105.06963	0.7
107.01292	7.7
107.04956	3.4
109.02863	10.9
111.04385	2.8
111.84761	0.9
113.05995	1.3
115.05388	1.0
115.07542	8.1
117.03352	5.2
119.04910	1.2
122.03598	1.6
125.02274	0.9
125.05955	0.9
127.03913	4.4
128.06213	1.3
129.06979	8.9
131.04875	9.0
135.04399	16.0
137.02339	17.6
137.03325	1.3
137.05957	38.4
143.04880	0.8
145.02835	16.0
145.06509	0.9
147.04478	0.8
149.02330	1.4
151.03870	1.2
153.01823	4.5
153.05476	1.5
153.36620	0.7
157.06461	6.9
160.05121	2.7
161.02359	0.8
161.05966	2.6
163.03871	100.0
163.07547	3.8
164.04158	0.8
167.03555	0.8
169.06503	5.7
172.05244	1.1
174.06737	3.1
175.07513	9.2
187.07480	11.4
189.09044	11.1
197.05957	6.9
203.03398	1.0
213.05440	7.6
215.07013	10.8
217.08597	2.7
219.08109	1.5
223.03906	1.6
225.05528	1.1
225.07562	1.0
231.02936	0.8
231.08020	1.5
241.04916	10.2
243.06526	3.8
244.68100	0.8
247.07416	0.9
259.05859	1.1
262.06390	0.7
263.10733	1.3
269.04385	56.5
270.04575	0.9
271.06079	0.7
276.07645	0.9
277.08466	0.8
279.10190	2.8
287.05429	26.8
291.10095	3.3
297.03864	40.5
311.12708	4.0
315.04932	11.4
323.12677	4.4
325.13782	0.7
341.13748	6.8
431.09573	0.8
459.09039	4.8
477.10175	29.6
507.11121	1.5
539.47778	0.8
557.12585	1.5
575.14044	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	642.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81416	0.8
51.02371	0.9
52.70385	0.8
53.03930	2.4
55.01872	1.4
55.05505	11.1
56.41946	0.8
57.58673	0.9
59.74236	0.9
63.52567	0.9
69.03415	44.2
71.04962	4.1
79.05495	2.1
81.03398	20.4
81.64555	0.9
83.04966	55.2
83.34148	1.0
85.02890	4.9
85.06539	1.4
89.03910	4.3
91.05446	1.5
97.02858	4.1
97.22683	1.0
98.05109	0.9
99.04448	9.4
103.05416	7.7
107.01279	7.1
107.04983	1.8
109.02862	14.7
109.06509	1.4
111.04448	2.3
115.05448	2.4
115.07583	6.8
117.03360	9.4
117.07058	1.1
119.04977	1.6
122.03664	5.1
125.02358	0.9
125.05991	1.9
127.03911	5.3
128.06187	4.1
129.06981	21.7
131.04909	25.2
133.02823	1.3
135.00775	2.2
135.04413	19.5
137.02324	19.7
137.05957	98.7
143.04913	1.9
144.05699	1.2
145.02820	14.2
145.06505	2.2
146.07237	1.2
147.04398	1.6
149.02321	2.3
149.06042	1.4
151.03868	2.3
153.01826	2.1
153.05490	5.9
156.05516	1.1
157.06479	19.0
160.05176	5.5
161.06018	8.0
161.41959	1.0
163.03877	100.0
163.07513	9.1
169.06496	4.4
172.05270	1.8
174.06728	9.3
175.07523	21.8
185.05974	1.2
187.07506	26.2
189.09073	20.5
191.08556	1.5
197.05972	6.2
207.10150	1.1
211.07611	1.5
213.05495	8.4
215.07001	10.4
217.08670	5.0
219.08025	2.5
225.05501	2.1
231.08012	1.7
239.07146	1.3
241.04848	8.5
243.06503	3.8
247.07635	1.5
248.08208	1.4
251.10551	1.6
263.10620	2.2
265.08560	1.2
269.04373	45.0
270.08670	1.6
271.06046	1.6
271.09518	1.5
276.07721	1.8
279.10052	7.1
287.05444	22.8
291.10068	7.3
297.03873	36.8
297.06940	1.9
311.09796	1.2
311.12750	10.2
315.04913	8.7
323.12717	9.8
341.13721	14.3
459.09048	6.2
477.10181	34.4
557.12994	1.9
575.13684	4.0
598.16693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18376	0.3
57.03423	0.3
57.08208	0.3
59.74121	0.3
63.10055	0.3
67.05508	0.8
79.05495	1.8
81.03417	0.4
81.07035	0.6
91.05457	0.7
93.07024	0.6
95.04990	0.7
95.08614	0.7
104.57191	0.3
105.07011	3.3
107.08615	0.4
109.10140	0.4
119.08617	0.5
159.11766	0.4
237.48604	0.4
294.31750	0.4
315.19421	1.6
349.19800	4.9
359.39352	0.4
461.27625	0.4
641.40131	100.0
642.40552	1.5
646.65961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18376	0.3
57.03423	0.3
57.08208	0.3
59.74121	0.3
63.10055	0.3
67.05508	0.8
79.05495	1.8
81.03417	0.4
81.07035	0.6
91.05457	0.7
93.07024	0.6
95.04990	0.7
95.08614	0.7
104.57191	0.3
105.07011	3.3
107.08615	0.4
109.10140	0.4
119.08617	0.5
159.11766	0.4
237.48604	0.4
294.31750	0.4
315.19421	1.6
349.19800	4.9
359.39352	0.4
461.27625	0.4
641.40131	100.0
642.40552	1.5
646.65961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05518	2.6
58.00625	1.1
61.45346	1.2
66.17352	1.3
67.05504	5.9
69.07060	1.6
75.88892	1.3
79.05478	2.3
81.03409	1.7
81.07038	1.6
86.25438	1.3
91.05452	5.9
93.07047	5.9
95.08599	5.3
100.22934	1.3
105.07023	7.4
107.08606	2.4
109.10156	1.5
109.73300	1.4
117.07011	2.2
131.00212	1.3
131.08514	1.7
133.10110	2.0
134.75198	1.4
275.20142	2.0
352.61304	1.5
623.42828	1.7
640.40631	3.3
641.40198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
54.02031	0.4
55.01865	4.6
55.05520	0.8
57.03422	3.5
61.02906	4.3
64.08826	0.5
64.51594	0.5
67.05508	0.9
68.99779	3.5
69.03419	17.6
69.07028	0.7
71.04977	3.3
73.02895	4.9
78.34259	0.5
79.05462	0.7
81.03400	24.0
81.07047	2.2
83.01328	0.7
85.02890	40.5
87.00809	17.7
91.03925	1.1
91.05471	5.2
93.07032	0.8
95.04939	1.0
95.08614	0.9
96.99769	0.6
97.02866	13.2
99.04438	8.4
101.02380	0.5
103.03857	0.7
105.01855	8.6
105.07009	0.7
107.04935	3.2
109.02861	16.1
109.06567	0.6
109.10119	0.8
117.01843	2.7
119.04919	8.7
119.08607	0.7
123.04475	0.7
126.90888	0.7
127.03884	25.1
127.04810	0.9
129.01813	3.3
129.03374	0.6
137.06000	0.5
145.04933	7.0
147.03175	1.2
147.04390	30.1
151.07538	0.9
157.02797	0.7
159.02878	9.7
159.04305	0.6
165.09132	2.2
173.02304	22.9
173.04675	0.6
175.80292	0.5
177.05437	16.1
185.02316	2.8
187.03896	0.9
189.05453	2.5
202.02641	5.4
211.06871	0.6
213.01794	3.5
217.04942	6.8
230.02052	16.8
231.02904	0.7
231.04955	4.1
239.03419	0.9
241.01266	67.1
242.02005	1.9
245.00800	5.8
245.04390	29.6
255.03014	0.5
257.00720	0.6
258.01505	5.3
259.02325	29.5
259.05133	1.0
267.02817	0.9
272.03003	2.5
272.12024	0.6
273.03879	100.0
274.03940	0.7
287.57309	0.5
290.04089	0.6
291.04886	6.4
299.05511	2.4
315.04840	5.7
339.05228	0.7
351.08417	0.7
361.06964	2.4
381.05951	1.1
387.07980	0.7
393.09601	62.3
435.10742	5.1
459.10648	0.7
485.07117	0.9
503.07635	0.6
524.25385	0.7
582.34503	0.7
603.48456	0.6
641.29999	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	641.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62150	0.4
54.21344	0.4
57.03422	0.5
65.17580	0.5
69.03410	0.8
85.02895	1.0
87.00523	0.5
99.17136	0.5
116.99104	0.5
129.85385	0.5
142.46181	0.6
185.04190	16.8
203.05238	43.5
270.77359	0.5
299.07312	100.0
317.08109	0.6
347.09128	0.6
365.10483	87.6
474.72958	0.6
641.17792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82152	6.6
55.05502	52.8
57.03420	32.8
57.07071	100.0
59.02476	6.3
59.04985	9.2
62.72091	6.7
67.05495	79.9
67.68481	5.4
69.07054	53.3
71.08612	55.5
79.05473	67.6
81.07047	87.2
83.04984	7.8
83.08594	29.1
85.10157	31.8
87.22131	6.6
87.98830	7.0
91.05466	47.5
93.07024	59.3
95.04920	6.3
95.08588	55.0
97.10135	25.3
105.07015	39.3
107.08583	42.6
109.10124	24.3
117.07025	7.6
119.08558	30.6
131.08543	14.0
133.10101	27.7
135.07983	7.9
145.10106	15.9
147.11691	9.2
148.89494	6.9
159.11652	6.8
168.12022	7.5
190.25494	7.1
210.26978	7.9
227.12674	8.7
255.16176	8.5
275.19995	35.3
313.27444	77.1
349.23624	13.0
387.37057	7.3
493.38873	11.4
507.40405	27.2
587.46497	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86753	2.9
50.99294	2.9
55.01863	3.1
55.05506	53.8
57.03425	7.7
57.07066	26.9
59.80339	2.9
63.01025	3.2
67.05496	28.7
67.05796	3.3
68.86122	3.4
69.03427	4.6
69.07049	6.0
71.08605	22.5
79.05476	36.5
81.07026	22.9
83.08624	28.1
85.10172	6.2
91.05460	17.7
92.08637	7.8
93.07020	18.6
95.08595	19.8
97.10155	50.9
105.07018	19.2
107.08587	42.1
109.10149	7.6
119.08579	6.4
125.09617	50.4
133.10165	4.2
135.08003	6.2
145.10077	5.7
189.11198	24.3
227.12759	100.0
273.54507	3.9
275.19971	13.8
313.27335	24.8
349.23672	8.5
454.22958	3.6
464.80521	3.8
483.36658	6.6
587.47028	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03893	3.2
51.68614	3.2
55.01859	5.9
55.05507	42.8
57.03434	33.0
57.07065	81.1
59.94752	3.5
60.43780	3.7
64.15603	3.5
67.05494	96.9
69.07059	53.0
71.08612	55.4
76.48363	3.9
79.05474	67.2
80.50261	3.4
81.07043	100.0
83.04967	8.7
83.08610	29.7
85.06515	5.2
85.10176	28.2
90.81621	4.3
91.05468	62.2
93.07024	71.8
95.04956	20.7
95.08601	71.2
97.06487	6.6
97.10141	16.8
100.34334	3.7
105.07027	38.1
106.61763	4.4
107.04932	4.3
107.08598	41.0
109.06495	6.6
109.10145	32.1
110.93149	4.5
117.07021	19.5
119.08567	24.5
121.10130	18.1
129.07005	6.6
131.08548	27.1
133.10110	22.3
135.11714	9.2
135.91516	4.1
142.13646	4.3
145.10060	16.0
147.11699	4.9
149.09618	6.4
149.13243	8.4
159.11717	8.5
194.92865	4.2
255.15886	9.5
257.18839	5.3
269.17480	24.1
275.20029	18.7
313.27286	81.3
349.23447	20.7
493.38583	18.8
507.40451	77.1
547.44312	4.8
587.46545	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	640.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
53.00562	0.9
53.03934	6.5
53.27671	1.0
55.01860	7.6
55.05504	47.2
57.03439	9.7
57.07058	8.9
60.42311	0.9
61.02917	2.8
67.05490	28.0
68.99756	1.2
69.03416	28.4
69.07053	58.2
71.01361	1.3
71.04974	12.6
71.08624	1.4
73.02876	2.2
79.05477	18.0
81.03401	29.8
81.07037	100.0
83.04967	13.7
83.08596	27.7
85.02891	44.0
85.06524	5.6
87.00819	25.0
91.03922	1.6
91.05462	16.4
92.08698	3.4
93.07023	46.0
95.04957	14.0
95.08582	81.3
97.02867	23.0
97.06501	19.1
97.10143	60.4
97.10751	2.4
99.04418	10.8
99.08058	2.2
105.01844	10.0
105.07007	39.5
105.07652	1.8
107.04936	2.9
107.08570	47.2
109.02867	24.3
109.06511	13.6
109.10137	57.9
111.04449	1.4
111.08067	9.7
111.11700	11.1
113.09621	2.1
116.10675	1.3
117.01837	2.2
117.07009	4.9
117.84666	1.2
119.08567	30.7
121.06490	2.4
121.10129	41.0
121.10972	2.2
123.08036	6.7
123.11680	32.5
125.09619	14.9
127.03876	24.7
129.01762	1.7
131.08514	12.8
133.10101	20.5
135.08029	11.0
135.11662	27.1
137.02345	5.0
137.09557	5.4
137.13208	9.1
138.09067	1.5
139.11168	9.4
143.08562	2.0
143.10663	8.9
145.04956	7.0
145.10109	18.3
147.08040	1.2
147.11659	21.8
149.09612	7.7
149.13235	16.3
151.11122	4.5
151.14803	1.6
153.12769	1.6
157.10040	2.0
159.02861	7.9
159.11639	18.2
161.09575	1.5
161.13237	18.0
163.03883	7.0
163.11150	8.0
163.14835	5.3
164.07057	2.4
165.12735	6.1
165.16385	2.4
171.11661	1.7
173.13275	6.7
175.14796	5.7
177.12662	4.9
177.16318	14.4
179.14305	2.4
187.14824	6.9
189.05537	2.2
189.16330	2.0
191.17941	2.3
195.17451	12.2
201.16377	5.2
205.15880	2.6
212.16397	4.6
213.18507	9.6
218.10251	1.4
223.16898	4.9
227.07077	1.5
231.04913	2.9
231.20993	1.4
233.52754	1.3
241.09564	2.2
245.09167	1.7
247.24202	1.4
249.69975	1.4
257.22586	7.5
259.19016	6.1
263.10251	6.3
267.15891	1.5
267.21320	2.2
271.02307	4.8
272.02618	5.6
275.23666	19.7
277.21649	2.1
277.51166	1.4
285.22076	5.2
291.23111	5.9
293.24789	9.1
303.23132	98.3
306.11670	1.5
308.13458	1.3
309.24124	9.0
311.12805	1.5
321.24191	95.2
339.25238	39.2
363.15186	1.7
365.16119	1.9
382.17514	1.2
391.08420	2.0
392.08453	1.9
400.18475	1.7
461.03329	1.2
470.19058	1.9
471.19669	2.8
533.27307	1.7
551.28125	1.8
640.28778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58614	1.0
55.05505	1.5
57.07069	2.0
67.05502	2.5
69.66933	1.2
79.98589	1.1
81.03410	2.1
81.07050	3.0
81.92596	1.1
88.78724	1.2
89.22528	1.1
91.05436	1.4
92.08642	2.9
95.08588	2.0
100.92610	1.2
105.07019	1.4
105.15729	1.4
119.08595	1.6
197.40462	1.3
347.18378	1.7
600.69562	1.5
639.38629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
53.43456	0.3
55.01851	1.7
55.05272	0.4
55.05507	8.5
57.03424	5.6
57.07060	0.5
60.48540	0.3
61.02916	7.3
67.05492	21.5
68.87206	0.3
69.03406	2.1
69.07052	6.5
71.04954	1.7
73.02909	2.9
73.06565	0.3
73.38593	0.3
76.56998	0.4
78.29460	0.3
79.05475	33.1
79.81298	0.3
81.03392	6.3
81.07039	22.5
83.04962	9.4
83.08607	4.6
85.02892	9.3
85.06510	1.4
87.00812	0.7
91.03940	4.7
91.04873	0.7
91.05462	20.6
92.09265	0.7
93.07022	30.3
95.04955	11.1
95.08587	13.7
97.02867	5.8
97.06495	3.9
97.10152	2.5
99.04394	0.5
99.08075	0.5
105.01881	0.5
105.07014	18.9
107.04937	3.4
107.08582	9.7
109.02853	0.7
109.06496	4.1
109.10133	4.4
111.08060	0.6
115.05447	0.4
117.07004	4.2
119.08555	13.3
121.06513	2.0
121.10125	3.2
123.08041	3.1
123.11649	0.8
125.09601	0.5
127.03876	3.2
127.07560	0.4
129.06989	8.2
131.08553	2.0
133.10120	6.5
135.08032	0.8
135.11655	1.8
137.02316	1.9
143.08569	4.9
145.04907	1.6
145.10098	5.8
147.08060	0.7
147.11671	19.2
149.13199	0.7
159.11655	0.9
161.09596	2.5
161.13223	7.8
163.03874	1.4
163.05956	0.7
163.11189	0.6
163.14761	0.4
171.11656	12.3
189.12704	4.0
192.69739	0.4
203.03314	0.4
207.13759	5.9
229.59032	0.3
271.02356	3.9
272.02728	3.5
272.84384	0.5
281.17426	100.0
282.17761	1.9
303.23090	2.6
321.24207	2.2
339.25299	1.4
391.08112	0.5
392.08356	1.9
443.22620	4.1
640.30017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01867	7.9
55.05268	1.1
55.05507	20.1
57.03432	11.8
59.04982	1.3
59.05339	0.6
63.79800	0.7
64.05733	0.6
65.03916	1.0
67.05495	26.2
69.03414	13.6
69.07059	8.0
71.01334	0.9
71.04991	5.0
71.05312	0.8
79.05479	30.5
79.84362	0.7
81.03405	100.0
81.07042	28.9
83.04967	20.5
83.08607	23.1
83.91996	0.7
85.02888	25.2
85.06521	3.2
91.05463	33.4
93.07026	21.7
95.04949	30.6
95.08591	11.3
97.02879	11.8
97.06491	5.1
97.10139	9.0
99.04432	4.0
99.08067	0.9
103.05416	0.7
105.07014	26.0
106.07339	0.7
107.04942	10.3
107.08573	11.8
107.11219	0.7
109.02855	18.2
109.06530	6.8
109.10150	4.5
111.04449	9.7
111.08080	7.8
113.05987	1.0
115.05434	1.3
117.07007	5.6
119.04916	1.6
119.08557	20.4
121.06487	5.2
121.10131	10.1
122.05977	1.0
123.04401	1.6
123.08051	3.3
123.11703	2.7
125.09615	4.4
127.03899	5.3
129.05482	0.7
129.06981	13.5
131.04929	0.8
131.08553	13.1
133.06485	4.6
133.10112	10.2
135.08020	1.5
135.11685	1.6
136.07526	0.9
137.09592	2.9
141.06905	0.7
142.07773	3.6
143.08524	2.9
145.06451	2.3
145.10110	4.4
147.04344	0.9
147.08040	3.6
147.11681	15.2
149.06013	1.1
149.09564	7.6
153.12680	1.1
155.08534	1.2
157.06554	0.8
157.10118	13.4
158.10657	0.8
159.11636	1.0
161.09575	1.0
163.11140	4.1
164.07025	0.8
165.12714	3.8
167.08473	0.8
171.08180	0.8
171.11644	1.1
173.04430	1.1
173.09514	1.1
175.11163	12.7
181.10091	1.2
181.12195	2.8
189.12712	1.1
191.10612	1.1
193.12210	28.6
195.11710	0.7
207.13766	0.8
211.13264	35.0
211.15309	1.2
227.12682	2.3
249.14719	0.8
255.13708	0.9
259.13248	1.1
267.15836	15.0
271.02390	3.1
273.14865	2.5
283.15451	1.4
285.16904	9.6
301.14252	4.4
309.17056	1.1
319.15417	1.2
331.12689	0.9
337.16351	1.6
355.17291	2.8
365.15729	0.7
375.18033	1.1
385.23709	3.9
391.08047	1.3
393.18961	4.1
403.25143	1.0
411.19965	3.9
429.20868	1.5
454.06583	0.8
456.51321	0.8
459.21539	1.1
459.27283	9.2
477.28461	15.2
495.29492	18.1
501.28671	1.2
511.28366	0.9
519.29211	1.0
549.19733	0.7
561.29779	0.9
585.30365	3.7
603.31897	5.6
621.32971	15.7
639.34143	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51993	1.1
54.15530	1.0
55.01862	7.0
55.76951	1.3
55.96324	1.1
58.75253	1.2
67.05484	3.2
73.51989	1.5
82.35123	1.3
91.05475	3.3
93.07012	7.0
94.06546	9.8
95.04936	1.4
96.04445	1.5
108.08090	12.1
110.06041	1.3
119.04956	4.5
119.99065	1.5
120.08108	1.8
121.06488	3.0
122.06002	30.1
123.06723	2.1
124.07545	6.6
132.75656	1.5
136.07565	37.9
138.09125	16.0
146.05992	1.7
147.04367	5.8
148.07564	1.8
149.34213	1.3
150.05489	2.8
160.07552	2.1
162.05464	5.5
164.07042	81.2
172.07539	6.3
174.09116	9.7
176.03371	2.4
176.07091	5.4
177.06523	2.7
181.09711	13.4
186.34752	1.4
188.07076	2.4
189.10117	4.2
191.08122	6.6
192.10194	1.9
200.07072	3.0
201.06555	2.2
202.08612	22.1
203.08113	25.5
204.06522	37.5
206.08096	1.4
213.10283	1.5
215.08160	2.0
215.11635	1.9
217.09691	33.7
218.08037	2.1
220.09726	2.2
227.08011	2.3
229.06061	10.0
230.08092	11.3
241.09676	1.6
243.07706	1.8
243.11211	8.9
243.14796	2.7
245.09184	39.1
246.07436	7.5
248.09084	8.3
253.13309	1.4
257.12790	5.7
259.10736	7.0
263.10220	100.0
265.11752	11.2
271.07111	6.8
271.10733	1.9
277.11700	2.9
289.08490	2.6
289.11740	12.1
291.09598	3.1
307.12805	11.6
309.14615	2.7
339.17020	3.2
356.19604	2.6
364.16595	3.3
378.18066	5.7
382.17532	10.4
384.19080	3.1
396.18982	8.2
402.20227	9.4
404.19745	2.8
410.16693	2.2
422.20529	5.8
426.16095	21.7
428.22104	2.0
440.21509	2.3
446.23050	10.7
452.17813	5.7
454.19659	3.1
470.19153	1.7
472.20676	17.1
499.06827	1.7
519.25818	1.8
547.25220	11.8
565.26196	5.5
573.26752	6.8
577.03186	1.6
591.28149	31.2
609.29041	49.7
621.29175	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	639.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10527	3.0
55.01863	5.7
61.85489	2.8
67.05492	7.6
68.61224	3.6
69.03403	4.6
70.74458	3.2
71.72083	3.0
73.76016	3.3
74.08160	3.3
75.76944	3.1
76.56167	3.6
81.03380	4.0
91.05479	4.0
94.06567	7.4
108.08128	16.7
110.06055	3.9
122.06023	33.2
124.07594	6.9
136.07541	40.8
137.05939	5.4
138.09120	17.0
139.75499	4.1
146.06018	3.6
147.04405	4.0
164.07042	100.0
174.09131	14.0
175.08665	4.2
176.03380	3.5
176.07024	5.2
177.06616	3.6
181.09744	6.8
183.20779	3.8
191.08139	7.7
202.08632	23.2
203.08101	47.8
204.06560	61.3
217.09721	21.7
229.06056	8.5
230.08195	5.6
243.11215	4.9
245.09204	47.8
246.07458	4.2
248.09222	5.6
257.12781	4.8
263.10211	92.7
265.11871	15.4
271.06943	7.4
289.11801	18.0
306.39233	4.1
307.12769	13.3
331.12885	4.4
364.16104	3.9
380.63092	3.8
382.17630	5.7
384.18744	4.4
396.19113	5.0
402.20074	14.3
404.19104	4.9
426.16553	27.4
446.22647	4.7
452.17929	4.4
454.18991	4.1
472.20660	25.4
547.25543	14.6
562.57190	3.8
573.26318	6.5
591.27777	41.7
598.81458	4.1
609.29132	47.8
621.28705	7.7
639.28918	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	639.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.8
66.12128	1.3
67.05491	3.5
91.05470	6.8
93.07035	7.4
94.06544	8.0
98.06064	2.1
108.08121	17.9
119.04930	7.2
121.06510	2.5
122.06015	30.5
124.03922	1.6
124.07557	5.8
124.80936	1.7
136.07562	34.5
138.09132	22.9
146.05995	2.2
147.04454	3.0
148.07478	2.8
150.05461	3.1
158.05952	1.9
164.07050	100.0
172.07593	3.2
174.09105	14.1
175.08701	2.0
176.03441	2.5
176.07082	2.7
177.06641	2.7
181.09688	12.7
186.05496	2.1
186.09082	1.7
187.08514	1.7
188.07050	2.9
189.10220	6.7
191.08189	6.3
192.10289	2.1
201.06609	2.5
202.08688	24.8
203.08173	33.5
203.11949	1.9
204.06535	43.9
215.11842	2.2
217.09680	36.2
218.08185	3.6
219.11255	3.1
220.09642	1.8
229.05991	17.2
230.08096	16.0
237.12294	2.3
243.07715	2.9
243.11267	10.1
245.09193	46.7
245.11656	2.9
246.07571	7.6
248.09132	8.1
257.12894	10.5
259.10794	8.7
263.10217	98.5
265.11749	13.1
269.12708	2.0
271.07098	8.1
271.10593	3.2
277.11911	3.1
283.14297	1.8
289.08545	2.7
289.11847	14.2
291.09796	5.5
291.13391	2.0
302.13062	1.6
307.12811	11.0
309.14481	9.3
339.16943	6.3
340.64438	1.6
356.19791	1.9
364.16330	2.6
378.17996	3.8
382.17523	13.4
384.19287	9.7
396.19238	8.7
402.20306	8.3
404.19611	3.2
410.16879	2.0
422.20627	7.0
426.16296	27.2
428.18057	2.4
440.21948	5.4
446.22763	9.3
472.20837	21.7
547.25299	13.2
565.26361	9.4
573.26721	9.3
591.28040	36.6
609.19745	2.2
609.29144	51.1
621.28796	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	638.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.5
55.01863	5.5
55.05503	32.5
57.03411	2.1
59.05010	2.2
61.64318	2.4
64.78638	2.5
67.05495	44.6
69.07057	13.0
79.05478	41.7
81.03419	6.3
81.07036	46.6
83.04992	5.1
83.08607	28.3
89.71127	2.5
91.05480	36.2
93.07031	41.5
94.23785	2.4
95.04966	44.6
95.08592	26.9
97.06520	6.5
97.10157	5.7
105.07011	51.3
107.04951	18.1
107.08601	28.4
109.06518	6.0
109.10170	18.5
111.08017	3.4
117.06986	19.7
119.08579	43.5
121.10124	14.9
123.08058	3.6
125.09623	5.2
129.07037	4.7
131.08539	19.3
133.10106	32.7
135.08055	4.9
135.11690	6.3
143.08548	5.2
145.10123	23.9
147.08067	11.5
147.11694	15.0
149.09584	37.5
155.08505	2.7
157.10057	5.5
159.11678	11.1
161.09607	3.3
161.13239	3.0
163.11162	32.3
165.12677	4.1
173.09534	3.4
173.13173	4.0
177.12827	3.1
183.11684	3.4
223.13229	15.6
239.17982	5.9
246.68961	3.0
257.19003	13.3
275.20001	100.0
291.19406	4.0
293.21069	59.1
313.27277	3.2
396.25513	2.9
396.90784	3.0
505.34958	5.7
516.76569	3.0
653.54608	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	638.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
53.03935	5.3
55.01860	5.2
55.05505	17.9
57.03423	3.5
57.06781	1.0
57.07068	27.4
58.07401	3.5
59.04993	0.9
61.02911	3.4
65.03922	1.1
67.05501	19.4
68.99763	1.1
69.03069	0.9
69.03421	15.7
69.07057	13.7
71.04980	5.0
71.08643	1.1
73.02892	3.8
76.15234	0.7
79.05482	17.9
81.03395	19.6
81.07042	35.7
83.04959	1.2
83.08609	11.8
85.02890	37.6
87.00811	13.5
91.03946	1.0
91.05463	10.9
92.08596	1.0
93.07030	28.4
95.04942	4.5
95.08588	29.7
97.02862	14.0
97.06525	4.7
97.10152	9.7
99.04452	8.6
105.01860	5.1
105.07017	21.0
107.04960	1.0
107.08588	24.6
108.04472	1.1
109.02851	11.9
109.06518	4.9
109.10149	14.2
111.08089	4.0
111.11705	1.2
115.11187	4.5
117.01807	1.8
117.06993	6.8
119.08578	14.2
121.02811	1.3
121.06508	2.0
121.10115	15.0
122.06001	1.7
123.08054	4.2
123.11694	5.3
125.09619	1.8
127.03889	15.9
129.01822	1.1
129.06996	1.3
131.08553	9.7
133.06483	3.9
133.10123	16.2
134.07269	5.5
135.08037	3.1
135.11661	15.0
137.09599	1.5
137.13206	3.8
143.08621	2.7
145.04970	4.1
145.10094	7.3
147.08035	4.1
147.11674	10.3
149.02330	95.0
149.09593	1.9
149.13235	13.7
150.02669	38.9
151.02840	11.3
151.11125	0.9
151.14767	1.6
153.12704	0.8
157.10138	4.9
159.02878	4.7
159.11697	9.3
161.05966	1.5
161.09593	3.4
161.13245	5.4
163.11133	0.9
163.14833	4.3
165.09048	3.1
167.03403	1.6
167.14320	1.1
168.03728	1.2
171.11621	1.7
173.09576	0.9
173.13242	3.9
175.07483	4.0
175.11195	3.2
175.14818	3.4
175.93799	0.9
176.07855	1.3
177.12762	4.0
177.16397	1.5
179.10577	1.4
185.13242	4.4
187.14769	1.4
189.12695	1.2
189.16394	4.2
191.14394	1.0
199.14807	1.4
201.16400	1.3
203.07170	1.1
203.14209	0.8
203.17879	1.0
204.07336	3.3
205.08594	3.1
206.08949	1.7
213.16281	1.2
227.24442	1.0
229.19476	4.6
231.21082	1.0
245.22571	6.3
255.21013	7.9
263.23700	3.1
265.19296	0.8
271.02356	3.2
273.22076	12.9
277.14355	11.1
278.14658	12.1
279.15002	6.2
279.23160	1.5
291.23163	29.4
295.15869	1.3
301.21509	11.6
307.22562	2.0
309.24005	7.8
319.22638	100.0
337.23685	55.4
355.24606	6.3
373.25439	1.1
425.18353	1.0
459.51608	0.8
461.05005	0.9
567.27612	1.1
585.28156	1.0
594.26556	1.3
620.27850	1.0
638.28802	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	638.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
53.03935	5.3
55.01860	5.2
55.05505	17.9
57.03423	3.5
57.06781	1.0
57.07068	27.4
58.07401	3.5
59.04993	0.9
61.02911	3.4
65.03922	1.1
67.05501	19.4
68.99763	1.1
69.03069	0.9
69.03421	15.7
69.07057	13.7
71.04980	5.0
71.08643	1.1
73.02892	3.8
76.15234	0.7
79.05482	17.9
81.03395	19.6
81.07042	35.7
83.04959	1.2
83.08609	11.8
85.02890	37.6
87.00811	13.5
91.03946	1.0
91.05463	10.9
92.08596	1.0
93.07030	28.4
95.04942	4.5
95.08588	29.7
97.02862	14.0
97.06525	4.7
97.10152	9.7
99.04452	8.6
105.01860	5.1
105.07017	21.0
107.04960	1.0
107.08588	24.6
108.04472	1.1
109.02851	11.9
109.06518	4.9
109.10149	14.2
111.08089	4.0
111.11705	1.2
115.11187	4.5
117.01807	1.8
117.06993	6.8
119.08578	14.2
121.02811	1.3
121.06508	2.0
121.10115	15.0
122.06001	1.7
123.08054	4.2
123.11694	5.3
125.09619	1.8
127.03889	15.9
129.01822	1.1
129.06996	1.3
131.08553	9.7
133.06483	3.9
133.10123	16.2
134.07269	5.5
135.08037	3.1
135.11661	15.0
137.09599	1.5
137.13206	3.8
143.08621	2.7
145.04970	4.1
145.10094	7.3
147.08035	4.1
147.11674	10.3
149.02330	95.0
149.09593	1.9
149.13235	13.7
150.02669	38.9
151.02840	11.3
151.11125	0.9
151.14767	1.6
153.12704	0.8
157.10138	4.9
159.02878	4.7
159.11697	9.3
161.05966	1.5
161.09593	3.4
161.13245	5.4
163.11133	0.9
163.14833	4.3
165.09048	3.1
167.03403	1.6
167.14320	1.1
168.03728	1.2
171.11621	1.7
173.09576	0.9
173.13242	3.9
175.07483	4.0
175.11195	3.2
175.14818	3.4
175.93799	0.9
176.07855	1.3
177.12762	4.0
177.16397	1.5
179.10577	1.4
185.13242	4.4
187.14769	1.4
189.12695	1.2
189.16394	4.2
191.14394	1.0
199.14807	1.4
201.16400	1.3
203.07170	1.1
203.14209	0.8
203.17879	1.0
204.07336	3.3
205.08594	3.1
206.08949	1.7
213.16281	1.2
227.24442	1.0
229.19476	4.6
231.21082	1.0
245.22571	6.3
255.21013	7.9
263.23700	3.1
265.19296	0.8
271.02356	3.2
273.22076	12.9
277.14355	11.1
278.14658	12.1
279.15002	6.2
279.23160	1.5
291.23163	29.4
295.15869	1.3
301.21509	11.6
307.22562	2.0
309.24005	7.8
319.22638	100.0
337.23685	55.4
355.24606	6.3
373.25439	1.1
425.18353	1.0
459.51608	0.8
461.05005	0.9
567.27612	1.1
585.28156	1.0
594.26556	1.3
620.27850	1.0
638.28802	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35336	2.7
53.03945	7.1
54.19981	2.9
55.01862	19.9
55.05506	35.4
57.03426	17.0
67.05490	35.7
69.03419	20.5
69.07059	14.8
71.04970	3.8
79.05477	48.4
79.68211	3.0
81.03399	100.0
81.07038	42.8
83.04956	33.6
83.08598	22.9
85.02889	25.8
86.07990	3.1
91.05460	39.1
93.07030	40.6
95.04935	26.8
95.08595	22.5
97.02879	7.8
97.06535	13.6
97.10164	8.1
99.04423	5.7
105.07008	37.4
107.04935	15.7
107.08559	26.2
109.02867	27.1
109.06497	6.0
109.10155	8.4
111.04430	18.5
111.08105	4.6
117.06996	13.4
119.08556	21.3
121.10124	13.6
123.08051	4.3
125.09612	6.7
127.03833	6.3
129.06978	5.6
131.08566	15.6
133.10088	8.5
135.11697	14.1
137.09651	3.5
145.06476	3.4
145.10109	16.4
147.08040	4.6
147.11681	6.5
149.09554	4.3
153.12772	6.2
157.10089	6.3
161.00690	3.8
163.11108	19.3
175.11200	13.8
193.12218	21.6
211.13332	22.2
267.15863	5.2
283.15396	8.3
289.21771	4.0
475.26712	17.5
493.27814	13.2
619.31024	5.6
637.32104	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07838	5.3
52.88409	4.8
53.15606	4.4
53.42650	5.9
54.75425	5.4
57.72398	5.7
68.96510	6.0
71.26168	5.5
76.56810	6.7
83.59751	5.3
92.08667	18.5
135.05804	6.4
155.31908	5.8
396.61609	5.9
406.21985	6.5
421.24112	8.3
503.24170	8.6
517.26245	9.0
530.93561	8.2
535.26581	26.7
545.25385	49.3
605.27838	53.0
637.30426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20554	1.2
54.81549	1.0
61.77699	1.0
64.58751	0.9
65.13251	1.1
67.05505	1.9
69.03423	4.8
81.03380	1.6
81.07070	2.1
85.02877	1.5
91.05476	1.4
93.07027	2.3
95.04923	1.1
95.08588	1.9
97.06516	1.4
105.07011	1.6
105.27701	1.0
121.49617	1.2
122.06029	5.4
124.87927	1.2
136.07649	1.0
145.30482	1.1
147.04420	1.9
217.09703	1.2
229.13292	1.5
257.12848	7.0
263.11569	1.6
283.14545	4.6
291.14844	1.2
296.13977	5.0
336.17239	2.3
338.14850	1.3
346.15851	1.3
350.18451	1.5
356.16501	1.5
362.15115	1.4
364.16394	2.5
376.20358	4.4
378.18167	6.5
380.16180	1.5
380.31937	1.1
382.17587	6.7
388.16364	2.0
396.18933	10.1
400.18906	2.4
404.19586	8.5
406.17737	2.3
422.20667	13.4
424.18781	4.3
434.16907	1.2
440.21631	15.5
444.18826	1.8
452.18195	1.4
470.20575	1.4
480.21362	1.4
524.23865	6.1
591.27429	1.4
619.27179	1.5
637.28589	100.0
638.29004	2.5
658.28583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77784	0.9
55.05497	0.9
57.30087	0.8
67.05501	1.4
68.12670	0.9
69.03419	4.4
70.93102	0.9
76.19006	0.9
79.05476	1.9
81.03416	2.1
81.07017	1.5
93.07001	1.0
95.08597	1.4
105.07023	1.6
107.08624	1.5
109.10133	1.5
121.10108	1.1
122.06019	3.7
131.89177	1.0
135.11757	1.1
153.47263	1.0
164.06978	0.9
172.07434	1.1
185.10867	1.2
217.09698	1.8
223.88031	1.0
229.13438	2.0
241.09631	1.4
247.63248	1.0
255.14978	1.1
257.12784	9.6
283.14374	5.6
292.14716	1.1
296.13959	5.2
298.39719	1.0
301.15689	1.2
304.14481	1.6
310.15607	1.0
314.80890	0.9
318.16122	1.6
319.13809	1.1
320.13989	1.6
333.16046	1.1
334.15485	1.8
336.17169	2.2
337.14804	1.1
338.14871	1.6
346.15640	1.3
350.18512	1.6
351.16830	1.3
355.15131	1.1
356.16202	5.2
376.20062	2.1
378.18015	10.6
380.15839	1.1
382.17636	4.2
396.19193	11.5
400.18710	5.7
404.19565	10.3
406.17642	3.7
422.20850	15.4
424.18729	1.9
440.21780	20.6
462.19839	1.8
465.92358	1.3
480.21347	1.5
488.21893	1.7
499.23923	1.1
506.23441	1.6
524.23834	6.2
525.25031	1.6
573.27673	1.2
591.27747	1.5
593.26062	6.0
619.27808	2.3
637.28607	100.0
638.28522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52726	0.5
55.01868	0.8
55.56911	0.5
57.31168	0.6
67.05483	2.9
69.03422	7.7
76.19222	0.6
81.03424	1.4
81.07053	0.9
83.05008	0.6
85.02918	0.7
91.05458	1.1
93.07017	0.9
94.06564	2.9
94.20226	0.8
94.62799	0.6
95.04979	0.8
95.08564	0.7
97.02901	1.1
105.07077	1.0
107.08593	1.0
117.07001	0.6
119.08562	0.6
122.06004	8.5
124.07623	1.3
124.28713	0.7
136.07535	0.7
159.11732	0.9
170.08102	1.2
174.09190	1.2
175.08656	1.0
187.08687	1.2
188.09355	0.8
189.10152	1.1
190.08669	3.4
200.09372	1.0
201.10388	1.0
201.13960	0.9
208.09607	0.9
213.10307	1.3
214.11053	0.9
215.11856	3.2
217.09698	9.4
228.12584	1.3
229.13329	4.7
239.11813	1.5
241.09644	1.7
243.11163	6.6
253.13329	0.8
255.14949	3.9
256.12305	0.7
257.12823	14.8
259.10739	0.9
261.12485	0.8
263.11902	0.9
265.13333	0.9
267.11343	1.2
275.13995	2.8
279.11148	0.8
280.14554	1.3
282.13351	0.7
283.11462	1.0
283.14362	9.6
292.14471	3.0
293.12552	1.2
294.12589	0.8
296.13907	1.4
301.15576	4.0
304.14557	1.0
306.16031	1.1
307.13315	1.1
308.13934	1.5
309.14655	1.3
310.15533	1.1
311.14035	0.8
318.16052	1.5
320.14066	2.4
321.14880	0.8
331.13498	0.7
334.15591	1.7
336.13290	1.0
336.16934	2.3
338.15005	8.6
339.15543	1.4
344.13489	0.8
346.15225	1.0
348.17297	1.1
356.16068	6.0
362.14929	1.3
364.16373	6.3
366.14572	1.3
376.20416	3.8
377.17764	0.9
378.17984	9.2
380.15964	1.0
382.17581	12.5
386.18655	1.0
388.16498	1.5
396.19211	6.3
400.18628	12.0
403.18695	1.0
404.19681	12.7
406.17706	1.7
422.20706	14.6
424.18900	1.3
433.18906	1.1
440.21616	6.2
443.20679	0.8
459.20438	3.3
462.20511	1.2
470.21292	0.8
477.21106	1.6
488.21536	1.5
489.21503	0.9
515.22656	1.3
525.25226	1.5
533.23822	2.8
547.25110	0.8
591.28162	1.7
593.26044	8.1
619.27466	11.5
637.28607	100.0
638.29108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01865	1.1
55.05493	2.6
57.03418	3.6
61.02954	0.6
63.13765	0.5
67.05496	11.3
68.05852	0.6
69.03414	6.1
69.07060	1.0
71.04990	1.0
79.05477	3.4
81.03407	6.0
81.07043	4.3
82.35811	0.6
83.04960	0.8
83.08597	2.7
85.02911	3.4
91.05460	4.5
93.07043	2.7
95.04964	2.5
95.08585	2.4
97.06489	0.9
97.10056	0.6
105.07027	2.9
107.08604	1.3
109.10143	7.2
110.10517	1.2
111.08031	0.8
119.08569	1.4
121.10173	0.8
122.06017	3.5
124.07597	0.6
126.27217	0.5
129.06964	1.0
131.08568	1.1
133.10147	1.1
135.08015	0.7
136.07588	0.8
147.11726	0.9
152.93768	0.7
163.11153	0.8
174.09201	0.6
175.11128	0.8
190.08629	1.0
193.12251	2.7
195.47812	0.7
204.06619	1.4
211.13300	2.9
214.50452	0.7
215.11845	0.7
229.14342	3.3
230.14668	1.0
241.09709	1.0
243.11368	1.0
251.11800	0.7
255.14839	0.8
257.12839	4.4
263.11923	0.9
269.79034	0.7
277.13232	0.9
278.13083	0.8
280.14389	1.3
283.14191	1.4
285.16934	1.3
291.13748	1.4
292.14392	1.2
294.12299	1.0
295.17200	0.6
296.13834	6.0
301.15741	1.0
304.14243	0.7
306.16061	0.8
308.13992	2.4
308.17294	0.9
308.43475	0.6
309.14819	1.3
310.15518	2.5
318.16174	0.8
319.13757	0.6
320.14023	2.4
320.17566	1.0
322.15610	0.8
322.19128	1.3
326.14850	0.9
332.13870	0.7
332.17572	1.2
334.15515	2.6
335.16412	0.8
336.17072	5.6
338.14963	4.5
346.15311	1.3
348.16995	1.0
348.20764	1.1
349.17975	0.9
350.18671	6.0
355.15207	1.2
356.16119	3.0
360.17023	1.3
362.14908	2.2
364.16431	4.3
376.20258	4.5
378.18063	12.1
380.16171	3.6
382.17465	5.1
388.16382	3.1
390.14471	1.1
396.19119	11.9
400.18719	7.5
404.19681	10.8
406.17612	3.7
421.25046	0.7
422.20676	19.2
424.18573	3.2
439.26981	4.8
440.21790	18.5
440.27328	4.3
444.19196	1.3
452.17618	1.3
459.20041	1.1
461.21838	0.9
462.20840	2.2
470.20245	0.8
480.21436	2.7
488.21359	2.4
499.23294	1.2
506.22861	4.1
524.23523	5.7
525.24762	2.5
527.22693	0.8
533.24030	2.6
571.25543	0.8
591.27539	2.3
593.25989	5.6
619.27557	5.1
637.28601	100.0
637.77380	0.8
638.28705	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	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13380	0.4
52.34149	0.4
54.76482	0.5
55.05502	0.7
57.01979	0.5
57.03431	0.6
67.05482	2.1
69.03419	3.4
69.07056	0.7
71.04994	0.5
79.05473	1.0
81.03410	2.3
81.07043	0.9
83.04923	0.6
85.02898	0.8
85.06558	0.7
91.05463	0.8
93.07055	2.4
94.06572	0.8
95.04951	0.9
95.08598	1.1
102.65464	0.5
105.07023	0.8
105.50692	0.6
107.08668	0.6
109.02900	0.7
109.10142	0.8
112.10872	0.5
119.04930	0.7
119.08558	0.5
121.10161	0.5
122.06025	2.4
124.07590	0.6
136.07591	0.7
146.05927	0.5
146.89949	0.5
160.42621	0.5
161.63747	0.6
163.08737	0.6
175.08771	0.6
223.98152	0.5
228.12686	0.5
229.13321	1.1
235.17764	0.5
239.11710	1.1
241.13501	0.6
243.11392	0.7
244.87466	0.6
253.13503	0.8
255.14920	1.2
257.12842	2.5
283.14169	2.6
291.13831	1.2
292.14444	0.9
294.12610	0.6
294.16116	0.6
296.13940	4.9
304.14499	0.8
306.15924	2.0
309.14874	0.8
310.15408	0.8
316.14258	0.6
318.16077	1.0
319.13281	0.8
320.14087	2.0
322.15564	0.8
322.19034	1.0
330.16278	0.8
332.13843	0.6
332.17804	1.2
334.15311	1.2
335.16605	0.6
336.16965	5.1
338.14932	2.4
346.15442	1.0
349.17712	0.7
350.18579	4.4
355.15363	1.2
356.16043	4.1
359.17334	0.8
360.17038	1.3
362.14944	2.5
362.18900	0.9
364.16574	4.2
376.20300	6.3
378.18066	13.0
378.22723	0.7
380.16153	3.3
382.17548	5.9
388.16559	2.9
394.21277	0.8
396.19141	12.5
400.18637	5.7
404.19693	10.4
406.17648	2.8
422.20694	17.9
424.18567	3.5
440.21741	18.1
444.19241	0.7
461.21594	0.9
462.20224	2.2
469.22644	0.8
470.20969	0.7
480.21274	2.7
487.23022	0.7
488.21622	2.6
489.21194	1.2
495.22250	0.6
499.23508	1.3
506.22964	2.9
515.23260	1.0
524.23962	5.8
525.24945	0.8
533.23926	1.2
571.25330	0.6
591.28381	0.8
593.25879	4.1
619.27667	4.0
637.28589	100.0
638.28424	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31739	0.4
56.73766	0.5
57.03419	0.6
67.05497	2.7
69.03421	7.6
79.05486	0.6
84.94608	0.5
94.06542	3.7
94.82097	0.5
110.71177	0.5
111.42253	0.6
117.03078	0.5
122.06015	10.7
122.09692	0.9
124.07539	2.3
136.07602	1.1
146.05968	0.8
146.09587	0.7
162.09109	0.9
170.08211	1.0
172.07545	0.8
173.07143	0.7
174.07816	0.6
174.09204	1.3
175.08670	3.1
180.10216	0.7
185.10857	0.9
187.08650	2.5
188.09360	0.9
189.10284	3.3
190.08701	3.7
201.10202	1.3
201.13692	0.7
202.08699	0.6
208.09750	0.9
211.08711	0.6
211.12234	0.7
213.10217	1.4
214.10960	0.7
215.08218	0.9
215.11742	4.2
217.09692	17.3
220.09706	1.0
226.11130	0.9
227.11891	1.3
227.15263	0.7
228.12552	2.4
229.09723	0.9
229.13283	5.9
231.11421	0.9
233.09042	0.8
234.10097	0.9
235.10689	1.5
237.10298	0.9
239.11800	1.3
240.12578	0.9
241.09755	3.8
241.13341	1.2
243.11276	8.3
253.09573	0.7
253.13463	1.2
254.10695	0.6
255.11148	0.8
255.15033	5.3
256.12036	1.0
257.12790	20.2
259.10849	1.0
261.12341	2.3
265.13382	1.0
266.12988	1.2
267.11328	3.0
275.13934	3.0
277.13391	0.7
278.12683	0.7
279.13654	1.1
280.14581	0.8
283.14395	13.1
285.12372	1.0
290.13040	0.7
292.14441	2.9
294.12552	1.1
295.10620	0.8
295.14209	0.8
296.13995	2.3
299.14297	0.8
301.15414	4.6
304.14444	2.2
305.15326	0.9
306.16116	1.1
308.13989	1.0
309.14716	0.9
310.15414	1.1
313.11734	0.9
318.16071	2.6
319.13632	0.8
320.13992	3.3
321.15143	0.9
322.15652	1.2
330.16055	0.9
332.17502	0.9
334.15472	3.1
336.17224	5.5
338.14941	10.3
346.15530	2.6
350.14963	1.3
350.18854	1.3
356.15933	9.7
359.16342	1.1
360.17023	2.5
362.14929	2.3
362.18872	0.9
364.16446	7.4
366.14767	0.8
367.15570	1.0
368.15952	1.2
376.20416	4.0
377.17435	0.7
378.18024	11.9
380.15955	2.7
382.17575	13.4
388.16660	2.7
394.17685	1.2
396.19135	8.9
400.18680	10.1
403.18787	2.3
404.19687	11.9
405.17282	0.8
406.17734	3.7
415.17371	0.8
416.15887	1.0
422.20801	13.7
424.18555	1.0
433.18991	1.4
434.17282	1.0
440.21698	4.3
443.21149	0.7
451.20416	1.0
459.20322	2.1
462.20105	0.9
477.21655	1.1
482.20065	0.8
487.23276	0.9
488.21887	1.3
489.21286	1.1
499.23376	1.0
506.22772	0.9
515.22510	1.2
525.25244	0.7
527.23236	0.9
533.23871	1.2
545.24072	2.4
571.25342	1.2
573.26770	0.8
575.24634	1.3
591.28198	1.2
593.25861	22.3
594.26617	1.1
619.27466	17.1
637.28589	100.0
638.28705	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	5.3
69.37178	1.0
90.65631	1.1
94.06600	2.0
122.06004	6.6
124.07577	1.4
135.56152	1.4
154.30807	1.2
162.09064	1.3
175.08662	1.3
187.08662	2.3
190.08577	1.7
201.13855	1.6
213.10251	1.5
215.11842	2.1
217.09766	13.0
229.13231	1.4
239.11752	2.1
241.09837	2.5
243.11316	7.5
255.15051	1.3
257.12811	17.1
260.11780	1.5
267.11371	1.4
275.13882	4.5
280.14465	1.2
283.14383	7.7
296.14044	1.5
301.15500	3.0
305.15121	1.5
308.14117	1.6
310.15765	1.3
318.15750	1.7
320.14224	1.3
322.15802	1.9
326.15399	1.4
336.16995	2.1
338.15015	9.9
346.15659	1.6
349.17972	1.4
356.16113	9.0
362.14624	1.3
364.16550	6.5
376.20190	4.5
378.18085	12.5
382.17432	13.2
388.16483	1.5
396.19272	7.6
400.18854	6.7
404.19910	8.3
406.17484	2.0
422.20691	16.7
424.19083	1.8
433.18738	2.1
440.21884	2.7
459.20303	2.0
488.21719	2.7
489.21313	2.3
515.22693	2.0
575.25317	1.6
593.26117	16.5
613.41022	1.3
619.27863	10.1
632.35413	1.3
637.28625	100.0
638.28888	2.4
659.02905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27360	1.7
55.66736	1.8
59.52208	1.7
67.05495	2.6
93.07027	3.6
94.06548	2.6
103.74597	2.3
117.93771	1.9
121.06485	2.9
121.10159	11.2
122.06018	15.2
123.08070	10.2
123.86019	2.3
124.73488	2.2
129.83849	2.0
136.07549	2.2
149.09595	21.5
177.09143	8.9
187.08649	2.6
189.10187	2.4
194.11794	4.0
199.08594	2.3
213.10216	4.7
215.11801	3.9
217.09682	16.3
229.09778	8.0
232.39017	2.3
235.10774	4.1
239.11760	8.0
241.09723	33.8
243.11310	12.5
255.10933	2.9
257.12567	2.1
259.10831	4.3
261.08792	9.0
261.12329	3.8
264.16040	2.0
267.11353	13.6
269.09167	2.7
280.11020	2.5
285.12289	3.8
287.10263	3.9
294.76816	2.1
305.11487	3.6
321.15967	2.6
334.15750	3.6
336.16891	2.1
337.19351	2.4
338.15271	8.1
347.17438	2.7
350.14813	2.5
356.15961	8.0
360.17288	3.7
362.14813	18.1
363.16623	2.6
364.16876	14.5
380.15863	19.5
382.17599	17.7
388.16498	10.5
390.14178	2.3
394.17508	3.6
398.17667	2.9
400.18652	11.5
406.17590	27.4
408.15225	2.8
408.19873	2.6
424.18683	10.4
425.18225	2.7
434.17288	4.2
452.18170	9.4
468.17606	8.6
469.20874	13.5
476.25366	2.4
486.23825	10.0
502.27106	13.6
504.24841	16.8
512.25769	2.8
520.28259	8.9
530.26312	15.2
548.27576	59.2
576.26642	15.8
593.30121	23.2
619.27509	11.4
637.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08608	2.3
51.08849	2.5
51.55357	2.0
52.49620	2.0
55.01858	4.1
55.07360	2.4
67.05487	11.9
68.80894	2.9
85.02920	2.6
91.05465	5.3
93.06995	5.4
93.75928	2.5
94.06544	14.8
108.08116	13.2
119.04884	4.7
122.05199	4.5
122.06012	58.2
124.07554	3.7
136.07576	57.3
136.15933	3.0
138.09128	35.8
140.51500	2.7
146.05984	3.1
148.07500	2.9
162.05518	5.2
164.05672	3.9
164.07040	98.7
164.08354	5.1
164.10641	5.4
174.09085	26.6
177.06586	13.9
181.09663	15.9
188.07085	4.6
189.10225	3.9
191.08150	30.0
200.07065	3.5
200.09340	4.3
201.06641	5.9
202.06973	4.1
202.08762	32.5
203.08168	58.8
204.06535	33.0
205.09784	3.3
213.10123	6.5
215.08131	4.1
217.09683	47.7
218.08128	4.9
219.11369	3.9
227.08113	5.0
229.06056	31.0
230.08144	22.4
231.11349	4.5
241.09567	5.5
243.07614	11.2
245.09149	61.0
245.12801	6.7
246.07396	4.4
247.10783	4.7
248.09122	14.6
257.09125	13.7
257.12875	4.1
259.10724	14.3
261.08627	68.8
263.10229	77.9
269.09122	4.7
271.07141	20.4
272.09079	6.1
275.13943	10.1
277.11676	3.7
284.83173	2.9
285.08591	12.1
287.10242	55.4
289.08124	6.5
289.11481	4.1
299.13641	2.9
301.11801	100.0
305.11230	58.4
306.12131	3.6
307.12836	18.7
313.08160	18.0
315.09692	3.9
322.15475	3.5
333.10941	3.7
339.17059	3.5
350.14746	3.4
352.16534	4.6
366.18088	13.1
378.17944	11.8
381.17688	3.4
398.16495	3.7
406.17245	11.8
420.18927	16.1
424.18457	12.5
426.20425	32.1
434.16931	17.5
438.20038	6.1
444.21140	26.6
450.16357	6.3
452.18124	61.4
468.17279	20.3
470.19131	40.1
482.19159	6.4
571.25262	5.6
589.26514	96.5
607.27582	67.3
619.27228	19.4
637.28088	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76252	2.1
55.01866	9.3
55.09334	1.7
63.59785	1.7
65.35034	1.7
67.05492	7.6
71.02448	2.1
91.05461	3.2
92.08704	3.9
93.07024	9.5
94.06566	9.9
108.08123	14.4
110.06046	2.6
119.04896	8.0
120.08125	2.7
122.06005	65.0
122.09583	2.0
124.07549	3.5
129.54272	1.9
135.69821	2.0
136.07567	53.8
138.09123	40.3
139.03912	2.8
148.07433	2.3
149.07162	2.6
150.05432	3.6
153.10283	2.3
160.07510	3.2
162.05472	4.2
163.08606	4.3
164.07043	100.0
172.07599	3.9
174.09120	23.1
175.08714	2.4
176.07089	2.7
177.06563	16.3
181.09683	24.3
186.05487	2.7
187.08659	4.1
188.07072	12.3
189.10237	5.0
191.08136	33.6
191.92322	2.1
192.10223	3.6
200.07086	9.7
201.06541	8.0
202.08722	35.6
203.04469	2.3
203.08124	79.6
204.06532	36.6
204.08478	3.0
205.09741	3.6
206.07944	2.3
213.10124	2.3
214.08513	2.0
214.10712	2.9
215.08116	8.0
215.11774	4.4
217.09708	40.3
218.07941	4.6
219.11209	3.4
220.09796	3.3
227.08142	3.5
229.06013	31.5
229.09566	2.5
230.08211	20.1
231.07646	3.4
235.10748	4.5
241.09755	4.6
243.07637	9.4
243.11240	3.3
244.09558	4.7
245.09166	64.5
245.12900	6.8
246.07552	12.2
247.10672	4.7
248.09068	14.2
252.12845	1.9
255.11197	1.9
257.09122	2.4
257.12775	7.5
259.10825	14.8
261.08713	21.5
261.11652	2.0
263.10229	85.6
269.09357	6.8
271.07129	20.9
272.09131	4.7
273.12527	2.5
274.12836	3.3
275.13843	11.3
277.11862	7.4
285.08740	2.3
285.11957	2.1
287.10175	40.0
288.08575	3.3
289.08133	8.0
289.11630	3.5
290.10294	2.4
291.09824	2.6
299.13736	9.3
300.11057	2.8
301.11688	36.4
305.11252	70.8
307.12830	21.3
313.08005	11.6
315.09464	2.9
318.15778	2.6
319.12955	2.7
322.15350	2.8
324.17111	2.3
326.14780	2.5
329.11337	2.6
333.10660	8.0
336.17001	2.9
352.16666	2.6
360.17105	3.4
366.18011	12.6
378.18069	3.2
381.17847	3.3
406.17441	12.7
408.19260	4.4
420.18878	11.7
424.18710	3.9
426.20554	23.5
438.20166	13.6
444.21185	28.4
450.16241	12.6
452.18063	32.3
468.17508	19.2
470.19073	46.5
571.25415	7.9
589.26563	76.5
601.26208	2.6
607.27490	65.5
619.27130	10.1
637.28040	2.8
652.55865	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	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97429	0.5
61.98741	0.4
69.03416	1.1
70.06586	0.5
81.03422	0.9
84.26827	0.5
93.07010	0.5
97.06521	1.9
107.04977	0.5
108.95008	0.4
121.66929	0.5
122.06020	2.0
124.07587	2.4
127.03884	0.5
128.95036	0.4
136.07559	0.8
137.02374	1.2
137.06024	0.5
147.04341	0.5
147.36629	0.5
151.03934	0.7
162.56212	0.5
163.03857	1.7
164.07071	0.6
164.10641	0.7
164.72597	0.5
174.09143	0.5
175.08623	0.6
187.08630	0.9
189.10229	1.0
192.10181	0.8
195.11227	0.5
200.09465	1.9
201.00685	0.5
201.06593	3.6
202.07367	10.9
212.09323	0.5
213.10165	2.4
215.08362	0.8
217.09679	12.3
233.09154	8.0
235.10748	0.7
239.08171	1.0
241.09627	1.9
257.09164	24.6
261.08652	100.0
262.09000	1.1
285.08667	35.8
285.11798	1.8
287.10461	0.7
301.11691	1.1
313.04413	0.6
313.08151	23.8
331.09180	25.4
398.17026	23.4
406.17276	3.5
408.18835	1.1
451.17712	0.6
452.17972	2.8
468.17587	23.9
482.18872	2.7
578.96960	0.6
589.26544	0.8
597.05933	0.6
619.27667	9.3
637.28400	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02936	2.7
55.01853	4.4
63.41409	3.2
63.41743	2.9
67.05506	7.7
87.74448	3.0
91.05462	4.7
92.09362	3.5
92.85991	3.2
93.07049	7.3
94.06561	18.2
108.08092	17.8
110.30596	3.0
120.08096	3.6
122.06020	67.7
124.07609	7.0
135.14830	3.6
136.07558	50.3
138.09134	45.5
147.04430	5.7
149.23578	3.8
162.05569	3.6
164.07063	100.0
164.10750	4.9
172.07535	4.4
174.09167	21.4
175.08664	4.4
177.06551	14.0
181.09735	20.2
188.07065	13.2
189.10274	6.3
191.08144	32.4
199.08633	4.9
200.07066	6.3
201.06601	12.6
201.10059	4.8
202.08665	27.1
203.08136	82.9
204.06627	26.5
205.09700	4.3
213.10208	7.4
215.08267	5.1
215.11705	6.7
217.09671	46.3
227.08348	11.0
229.06125	32.4
230.08157	14.5
231.11354	5.3
233.09221	3.9
235.10657	4.7
238.89856	3.6
241.09651	7.3
243.11456	8.5
245.09196	76.0
245.12880	4.1
246.07579	17.5
248.09196	6.7
257.09247	7.4
257.12766	7.6
259.10797	15.5
261.08762	36.0
261.12112	11.9
262.10663	3.8
263.10233	80.7
269.09140	4.3
271.07028	18.3
274.13113	4.9
275.13895	8.3
285.08615	4.1
285.12332	21.4
287.10233	49.5
289.12015	4.9
301.11801	71.1
304.14166	4.2
305.11273	81.4
307.12939	15.7
313.08322	12.3
322.15359	4.5
331.12854	3.6
336.17087	7.3
338.15079	4.4
346.15414	5.6
364.16821	4.2
366.18149	16.0
378.17981	7.1
382.17575	7.5
406.17419	21.2
408.19263	5.6
420.19025	16.6
424.18527	6.1
426.20410	37.7
434.17047	6.3
438.20062	7.5
444.21204	33.3
450.16803	6.8
452.18137	51.0
468.17737	17.8
470.19122	35.4
571.25012	5.0
589.26587	77.8
591.28052	6.8
601.26691	5.2
607.27631	60.9
619.27338	22.9
637.28833	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
55.05508	66.6
57.03412	4.8
57.07071	22.2
67.05492	34.6
69.03425	4.2
69.07049	15.4
71.08620	11.5
79.05474	36.2
80.32191	2.7
81.07038	25.8
83.04961	5.2
83.08609	31.8
84.60500	2.8
85.10169	11.1
91.05456	36.0
92.09367	5.2
93.07025	18.0
95.08567	13.6
97.10152	73.4
105.07009	5.1
107.08585	24.5
109.10160	13.1
117.07015	30.0
119.08568	44.7
125.09623	65.9
135.08038	7.1
143.08528	6.0
145.06468	24.0
157.28603	3.0
159.08072	7.0
189.11197	36.4
227.12752	100.0
257.58783	3.0
271.16937	31.5
289.17896	12.6
313.27368	23.8
345.20541	4.9
363.21600	11.4
483.37015	12.1
531.33575	3.8
583.43243	17.7
601.44617	29.9
646.21320	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42589	2.2
59.92692	2.1
67.05484	3.2
68.05830	2.7
71.08617	3.1
79.05457	3.1
95.08590	4.7
105.06969	2.9
142.54771	2.4
387.22739	2.5
399.16074	2.7
400.16739	4.4
401.17535	4.5
415.19040	11.2
429.20816	11.1
430.21780	3.1
443.18307	5.9
444.19400	4.3
457.19794	5.2
458.20831	4.8
471.21915	5.6
473.19510	6.2
475.17126	3.1
485.19345	3.9
486.20038	10.6
499.21002	13.9
503.23840	5.3
517.21979	4.8
522.38477	4.1
531.23682	12.8
559.23352	100.0
587.22662	17.5
619.25446	95.3
637.26349	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	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06315	1.5
50.91936	1.7
53.03930	12.4
55.01629	1.7
55.01865	19.1
55.05505	90.2
57.03426	3.1
59.04983	1.8
65.03931	3.2
67.05138	3.1
67.05492	75.6
69.03416	7.9
69.07053	38.4
71.04977	3.8
73.17332	1.8
77.43327	1.7
79.05052	3.4
79.05476	74.5
81.03398	30.6
81.07037	99.4
83.04971	20.5
83.08605	66.0
85.02906	2.9
85.06519	3.0
89.06000	2.3
91.05466	69.5
92.20230	1.9
93.06418	2.1
93.07021	72.4
95.04945	96.0
95.08590	47.0
97.06506	17.4
97.09707	1.8
97.10161	29.3
99.08073	2.6
102.33887	2.1
104.06173	1.9
105.04516	2.0
105.07017	78.9
107.04939	36.8
107.08585	44.2
109.06490	20.3
109.10152	22.3
111.04448	14.1
111.08087	18.3
117.07011	35.8
119.08559	58.6
121.06487	19.4
121.10126	30.1
123.08049	22.6
124.99946	3.5
125.09583	26.5
128.06169	2.5
129.06975	12.6
130.07890	2.2
131.08553	36.6
133.06456	2.6
133.10104	39.6
135.08002	13.2
135.11650	17.3
137.09575	9.9
139.11176	3.8
141.06891	3.2
142.07747	2.0
143.08488	9.2
145.06499	4.2
145.10100	46.7
147.08052	16.9
147.11678	22.5
149.09602	51.5
151.11101	4.1
153.09129	2.8
153.12758	2.2
155.08528	8.5
157.10104	8.9
159.11644	19.3
161.09573	4.7
161.13185	4.7
163.11139	64.7
165.09090	2.8
165.12724	7.1
169.10117	9.3
171.11542	4.1
173.09563	13.1
173.13242	8.0
175.11172	9.0
177.12711	9.7
177.59018	2.9
181.12277	7.0
183.11649	4.9
184.07356	10.6
189.11147	12.5
189.12698	3.1
191.10631	4.6
191.14224	2.1
193.12164	2.3
195.13828	1.9
197.13141	2.4
201.12683	2.7
205.12277	3.7
216.48518	2.4
223.13284	37.2
227.12607	3.7
229.19551	2.7
239.17935	7.9
257.18900	13.0
273.18469	17.8
275.20007	100.0
291.16394	3.9
291.19498	81.4
293.21060	84.4
309.20636	22.9
547.37042	2.6
583.39325	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	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06315	1.5
50.91936	1.7
53.03930	12.4
55.01629	1.7
55.01865	19.1
55.05505	90.2
57.03426	3.1
59.04983	1.8
65.03931	3.2
67.05138	3.1
67.05492	75.6
69.03416	7.9
69.07053	38.4
71.04977	3.8
73.17332	1.8
77.43327	1.7
79.05052	3.4
79.05476	74.5
81.03398	30.6
81.07037	99.4
83.04971	20.5
83.08605	66.0
85.02906	2.9
85.06519	3.0
89.06000	2.3
91.05466	69.5
92.20230	1.9
93.06418	2.1
93.07021	72.4
95.04945	96.0
95.08590	47.0
97.06506	17.4
97.09707	1.8
97.10161	29.3
99.08073	2.6
102.33887	2.1
104.06173	1.9
105.04516	2.0
105.07017	78.9
107.04939	36.8
107.08585	44.2
109.06490	20.3
109.10152	22.3
111.04448	14.1
111.08087	18.3
117.07011	35.8
119.08559	58.6
121.06487	19.4
121.10126	30.1
123.08049	22.6
124.99946	3.5
125.09583	26.5
128.06169	2.5
129.06975	12.6
130.07890	2.2
131.08553	36.6
133.06456	2.6
133.10104	39.6
135.08002	13.2
135.11650	17.3
137.09575	9.9
139.11176	3.8
141.06891	3.2
142.07747	2.0
143.08488	9.2
145.06499	4.2
145.10100	46.7
147.08052	16.9
147.11678	22.5
149.09602	51.5
151.11101	4.1
153.09129	2.8
153.12758	2.2
155.08528	8.5
157.10104	8.9
159.11644	19.3
161.09573	4.7
161.13185	4.7
163.11139	64.7
165.09090	2.8
165.12724	7.1
169.10117	9.3
171.11542	4.1
173.09563	13.1
173.13242	8.0
175.11172	9.0
177.12711	9.7
177.59018	2.9
181.12277	7.0
183.11649	4.9
184.07356	10.6
189.11147	12.5
189.12698	3.1
191.10631	4.6
191.14224	2.1
193.12164	2.3
195.13828	1.9
197.13141	2.4
201.12683	2.7
205.12277	3.7
216.48518	2.4
223.13284	37.2
227.12607	3.7
229.19551	2.7
239.17935	7.9
257.18900	13.0
273.18469	17.8
275.20007	100.0
291.16394	3.9
291.19498	81.4
293.21060	84.4
309.20636	22.9
547.37042	2.6
583.39325	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	636.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	12.6
55.05505	49.0
57.03427	4.6
59.04963	1.4
60.52976	0.9
62.47559	1.0
65.54356	1.0
67.05145	2.0
67.05492	34.3
69.03407	4.5
69.07050	16.9
71.04975	5.0
79.05472	48.9
81.03409	11.6
81.07038	70.9
83.04963	10.7
83.08607	27.7
85.02875	1.6
85.06531	1.6
88.82265	1.1
89.06030	1.2
91.05468	30.5
93.07023	39.2
95.04945	59.0
95.08577	21.5
97.06499	6.8
97.10149	26.0
103.05465	1.8
105.03383	1.4
105.04482	1.1
105.07009	33.4
107.04935	15.6
107.08585	28.0
109.06504	14.5
109.10126	9.9
111.04404	11.2
111.08043	8.5
115.05403	2.1
116.06175	1.3
117.07003	23.2
119.08562	39.6
121.06492	15.2
121.10136	15.7
123.08055	12.9
125.09614	18.8
129.06941	8.1
130.07748	1.2
131.08545	21.3
133.06499	5.2
133.10097	15.3
135.07999	10.0
135.11676	6.1
137.09610	4.4
141.06946	1.2
143.08572	6.0
145.06494	1.3
145.10103	27.7
147.08029	16.8
147.11679	7.1
149.09593	20.7
153.09071	6.9
153.12677	5.6
155.08553	1.9
157.10089	7.8
159.08060	1.4
159.11601	10.8
161.09592	8.3
161.13225	1.4
163.07356	1.2
163.11113	22.8
165.09102	1.9
165.12776	2.2
169.10083	2.5
171.10271	1.3
171.11681	5.7
173.09590	5.9
175.11136	5.1
177.12686	1.5
181.12207	2.8
185.13303	1.8
187.11140	2.8
189.11186	12.2
191.10675	5.5
197.13303	1.3
205.12209	1.3
222.91396	1.1
223.13216	23.5
227.12750	5.9
227.17932	4.4
229.19545	1.5
244.05011	1.2
245.18863	2.5
249.14841	5.4
255.17450	5.1
257.18954	4.7
273.18436	24.0
275.19995	28.9
291.19485	100.0
293.21005	21.3
309.20520	6.3
311.22147	1.2
544.93573	1.3
547.38409	1.2
565.38556	2.1
583.39185	1.7
589.18335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37096	2.6
53.03944	6.8
55.01865	13.2
55.05507	27.9
55.22474	2.8
57.03425	7.0
59.05014	2.6
67.05491	35.0
69.03416	43.4
69.07040	18.2
71.04974	4.0
73.02911	4.6
79.05486	29.7
81.03415	35.8
81.07036	45.6
83.04954	18.1
83.08567	4.4
85.02898	43.3
87.00807	22.9
91.05474	25.5
93.07034	35.7
94.06511	3.7
95.04964	29.6
95.08591	52.7
97.02866	18.2
97.06523	26.9
97.10151	25.7
99.04427	13.1
105.01843	6.6
105.07006	34.9
107.04951	4.8
107.08582	31.4
109.02866	22.4
109.06514	5.5
109.10141	35.7
110.43304	3.5
113.05981	3.7
117.01911	3.3
119.04951	3.2
119.08549	35.8
121.10110	21.7
122.06011	7.5
123.08031	18.3
123.11687	6.7
125.09591	18.7
127.03896	18.3
129.06975	5.3
131.08519	17.5
133.10074	30.2
135.08044	7.0
135.11658	18.2
137.09608	5.8
141.09108	4.3
145.04919	6.1
145.10118	19.4
147.04396	5.1
147.08096	3.5
147.11659	24.2
149.02353	7.7
149.09583	28.7
149.13208	3.4
151.11189	5.5
157.10097	6.3
159.02924	4.7
159.11632	12.6
161.09589	7.2
163.03912	4.6
163.11150	6.3
165.09131	3.4
165.12762	4.6
168.48465	3.2
171.11607	6.8
173.09637	4.2
173.13216	14.7
175.11020	4.1
175.14763	7.5
177.12720	5.3
179.10631	5.5
185.13182	7.1
191.10580	5.3
191.14311	5.8
193.15862	7.0
203.14331	8.0
209.15402	4.5
217.09642	12.5
221.15321	19.4
243.11267	6.3
257.12830	20.0
271.20520	4.7
283.14346	4.1
299.20010	13.6
305.21149	3.7
309.71790	4.2
317.21021	40.5
335.22107	79.3
338.15079	7.0
341.38364	4.3
353.23187	58.5
356.16107	3.6
378.18051	6.7
382.17392	7.6
396.19235	5.3
400.18372	15.7
404.19592	7.7
406.17108	3.5
422.21143	11.6
440.21771	4.1
593.25562	5.4
596.56714	4.3
619.27313	15.2
637.28583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.1
53.16686	0.1
55.05231	0.2
55.05502	4.8
57.03424	0.2
57.07067	16.8
61.02902	0.3
61.97044	0.1
65.03923	0.3
68.10440	0.1
68.24604	0.1
69.03423	1.1
73.06527	1.0
79.05444	0.2
81.03381	0.3
81.07018	0.2
85.02892	3.7
90.49266	0.1
91.05441	0.2
93.58186	0.1
95.08571	0.2
95.35310	0.1
97.02856	1.0
97.06535	0.2
97.10153	0.2
99.04413	0.2
105.06992	0.2
106.76669	0.1
109.02834	0.3
111.22569	0.1
117.07002	0.2
121.02831	1.8
122.09631	0.2
127.03876	0.6
127.28899	0.1
129.06978	0.3
131.08548	0.7
134.19974	0.1
135.08064	0.1
141.84335	0.1
143.04941	0.2
145.04926	0.3
147.04103	0.1
149.02324	100.0
150.02663	0.6
151.58835	0.1
161.05965	1.4
167.03343	1.6
168.20586	0.2
175.07516	4.3
175.08910	0.2
203.06999	4.1
205.08577	4.4
221.08064	0.6
264.16046	0.1
277.14291	20.0
278.14655	0.2
295.15271	1.9
335.22104	0.2
417.11450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2711
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.01871	2.9
55.05503	4.4
57.03424	3.5
58.80895	1.5
61.02933	1.9
67.05496	17.9
67.54824	1.6
69.03413	4.6
71.34689	1.8
79.05469	3.9
81.03405	3.3
81.07035	3.8
85.02892	3.9
91.05474	4.6
92.09275	3.9
92.64896	1.8
93.07032	7.9
95.08592	4.4
105.07023	4.0
107.08584	3.9
109.10141	10.7
113.06860	2.1
117.06954	2.1
119.08578	3.1
121.10132	1.9
122.09603	2.7
131.08511	2.3
133.10085	2.3
180.10204	2.4
203.31908	1.8
229.14357	3.2
239.16655	2.2
277.08148	13.5
284.15878	2.1
308.13876	2.7
330.12259	2.7
332.13708	2.6
334.15494	3.7
336.13535	3.3
346.19006	2.1
348.17084	7.1
358.15277	2.1
362.14914	2.8
374.18719	12.1
376.16461	16.6
377.34537	1.9
380.16132	10.3
394.17578	4.0
398.17099	8.8
402.18039	14.9
420.19193	23.4
422.17447	2.3
438.20221	17.2
438.25644	4.3
477.22440	3.2
486.20514	2.2
591.24164	3.7
605.30005	2.2
617.26025	9.4
635.16742	4.4
635.27002	100.0
636.27753	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	635.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	11.0
55.05494	55.5
57.07066	11.5
67.05496	57.9
69.07050	46.5
72.58350	10.6
79.05465	68.3
81.07046	100.0
83.04948	9.5
83.08585	21.6
91.05468	53.3
93.07027	21.4
95.04926	12.8
95.08582	58.2
105.07018	56.6
107.08559	20.8
111.12167	10.4
117.06967	22.8
118.17405	10.8
119.08553	38.8
121.10115	14.6
129.06970	18.0
131.08565	40.9
133.10101	18.2
141.07014	13.2
143.08505	17.0
145.10165	21.6
149.09528	13.5
155.08490	37.1
157.10124	17.6
165.95340	11.1
167.08443	12.9
169.10161	15.9
183.11604	12.9
195.11673	15.5
209.13232	15.5
292.19745	12.5
404.49188	10.3
456.98679	10.8
459.73248	9.8
525.39880	12.4
543.42047	16.4
635.46893	99.2
663.84106	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	636.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01865	5.4
57.03424	3.1
61.02913	3.5
68.99791	2.3
69.03421	16.8
71.04959	2.5
72.13126	0.7
73.02895	4.2
79.05457	0.7
81.03407	17.0
85.02893	35.7
87.00813	16.7
89.03912	0.9
91.03880	0.7
91.05471	0.7
95.01292	1.2
97.02867	17.7
98.99695	0.6
99.04448	7.0
103.05434	0.7
105.01847	8.1
107.04926	1.5
109.02852	14.9
111.04375	1.0
117.01861	1.5
117.03368	1.1
123.04433	2.5
127.03889	21.2
129.01816	0.9
130.20222	0.6
131.04948	0.8
135.04393	9.7
137.02341	4.0
139.03885	4.4
141.01785	1.2
145.02831	8.6
145.04932	7.3
147.04399	6.5
149.02328	2.4
153.05450	100.0
157.25887	0.8
159.02884	7.9
159.04129	1.1
161.05884	0.9
163.03877	95.6
163.83929	0.7
164.04256	0.7
175.03886	2.5
175.07481	0.8
177.01871	4.5
177.03917	2.1
177.05428	2.5
181.04939	3.0
187.03867	1.0
189.05412	1.3
191.03436	1.1
195.06509	28.0
201.05347	0.7
203.03368	39.7
205.05006	4.8
213.03894	1.4
215.03363	7.0
221.04550	1.0
229.04987	0.8
231.03198	4.7
231.04964	4.5
233.04419	4.6
249.05956	1.0
261.03848	5.1
275.05472	1.3
279.04852	8.2
291.04904	5.1
303.04898	0.9
321.05920	5.6
339.07059	41.4
353.08496	0.9
357.08401	0.7
371.09625	13.5
506.73071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2712
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.01865	3.5
67.05496	1.3
69.03416	7.5
91.21693	0.8
94.06548	3.3
108.10004	0.9
114.95754	0.8
120.72504	1.0
122.06013	11.7
124.07595	1.3
170.08139	1.4
174.09125	1.0
175.08702	1.1
187.08702	1.1
190.08643	3.4
201.10426	1.0
203.08218	1.2
203.11835	1.1
204.08948	2.0
205.09651	7.7
215.08167	1.9
215.11865	1.5
216.08931	0.9
217.09801	3.9
220.09808	1.1
229.09708	4.7
233.08960	1.0
241.09628	1.6
243.11273	1.1
244.12080	1.3
245.12825	18.3
255.11330	1.3
257.09238	1.1
257.12900	6.6
259.10699	15.2
267.11304	1.0
268.35425	1.2
277.11874	1.5
283.10886	3.6
296.13995	1.9
299.13858	13.1
306.12283	1.3
308.14041	3.8
308.59299	1.0
311.10263	1.2
316.14380	1.1
317.14941	6.9
320.13867	1.7
324.13312	1.0
324.17014	1.9
326.14850	12.5
336.17062	1.3
337.14545	1.1
338.14828	7.0
346.15451	2.1
350.15048	1.8
354.14465	1.7
358.15314	1.2
362.15024	1.4
366.18085	18.2
376.16525	1.3
378.18225	6.7
380.15976	12.3
385.13861	1.1
392.15775	2.1
398.17078	17.2
401.17300	0.9
402.17783	1.1
404.16223	1.8
410.17023	1.1
420.19135	15.1
421.18826	1.5
422.17111	1.5
438.19983	7.4
457.18588	1.6
475.19812	1.2
479.41275	1.2
480.21045	1.1
485.21875	1.4
496.20462	1.7
531.22485	2.1
569.24133	2.1
589.26587	2.1
617.25952	12.9
635.27032	100.0
636.27533	3.2
661.12292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98477	0.9
55.01870	2.5
67.05502	5.5
69.03410	5.2
73.66508	1.0
79.05469	2.4
91.05470	2.0
93.07023	4.7
94.06535	5.5
95.04976	1.4
95.08640	1.5
105.07014	5.4
107.08615	2.1
118.10825	1.1
119.08578	1.6
121.06500	3.0
121.10123	7.0
122.06001	18.2
122.09641	14.2
123.08056	8.7
131.08585	2.9
133.10081	1.9
135.08061	1.4
138.09125	2.0
149.09583	17.3
159.08015	1.2
162.05502	5.0
177.09064	12.0
187.08691	2.5
194.11771	7.4
199.08665	2.5
201.06656	2.8
203.08188	4.4
204.08878	1.8
205.09662	9.4
213.10294	2.9
215.08083	10.2
216.08853	1.5
217.09682	12.8
227.08080	1.4
229.09673	16.9
231.11278	5.2
233.09157	1.4
239.08231	2.2
239.11844	1.3
240.08916	2.1
241.09653	10.9
243.11269	2.3
245.09090	1.8
255.11201	1.9
256.03433	1.2
257.09232	4.8
257.12738	2.3
259.10730	13.3
260.07925	7.5
261.08640	15.2
263.10162	1.5
269.09183	2.3
271.10629	1.9
273.12320	2.2
275.14026	1.7
277.11987	1.9
278.12961	1.4
279.07166	1.2
279.10638	1.3
283.10715	23.3
285.08887	1.9
285.12344	2.6
291.14716	1.4
295.14438	1.3
301.11755	40.6
305.07828	1.7
305.11328	2.8
307.13953	1.3
308.13980	2.4
311.10251	6.9
313.08093	4.6
320.14026	2.6
321.16055	2.6
323.17426	2.0
325.19260	2.5
326.14828	12.7
334.16058	1.9
335.17419	5.9
338.14984	7.2
350.14954	23.2
352.16583	7.8
353.18765	2.5
362.15002	6.4
363.17007	1.8
364.16577	1.6
367.12775	6.1
379.20129	7.7
380.15976	13.6
385.13834	23.5
392.16180	5.3
398.16895	20.0
401.40851	1.5
404.15933	26.1
406.18143	7.7
407.19504	9.6
408.96497	1.4
413.13571	5.0
422.16949	22.7
424.14615	2.5
425.20242	1.5
426.20651	1.5
432.15582	7.0
444.22485	1.8
446.24408	2.1
450.16333	13.0
456.22806	6.0
466.16193	4.5
467.19205	20.9
474.24033	2.6
486.24121	1.9
498.18661	25.1
500.25342	11.0
510.23999	2.7
518.26208	9.1
528.24817	14.0
546.17444	2.4
546.25903	75.5
574.25397	10.4
587.25153	2.2
589.26068	1.6
591.27832	16.9
605.26062	6.5
617.25714	2.7
635.26947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2713
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.05519	1.1
57.03436	2.4
67.05497	2.3
68.56084	1.2
69.03422	6.1
69.52423	1.1
79.05475	2.9
81.41046	1.1
91.05460	2.0
93.07030	2.7
94.06558	1.7
106.06545	10.0
107.07332	8.3
109.02885	2.5
120.08113	6.6
122.06033	1.4
122.09644	80.2
124.03984	4.6
124.07516	1.8
127.03874	1.8
134.05972	8.9
136.07584	2.1
138.09146	12.2
146.06023	1.8
150.05478	2.1
162.05458	33.1
174.09155	1.2
174.41216	1.4
175.08884	1.1
176.10605	1.6
186.09097	1.4
187.97894	1.1
189.10219	2.1
190.08710	2.1
200.07079	2.5
201.06564	12.2
201.10284	1.5
202.07266	2.7
203.08139	17.1
204.06633	6.5
213.10193	2.3
214.11044	1.5
215.08136	17.3
215.11716	1.4
216.08949	1.4
217.09650	11.6
225.13768	1.5
227.08031	1.5
229.13380	1.8
233.09271	1.8
234.09999	2.4
235.10776	2.6
241.09790	5.2
242.10550	2.0
243.11278	2.6
243.14920	4.4
245.09161	13.0
246.07487	1.8
252.08737	1.5
257.09204	10.6
257.12921	5.7
259.10681	2.3
260.07846	19.7
261.08652	45.7
261.11578	1.9
263.10141	16.8
269.12616	1.7
273.12225	6.4
275.10034	1.9
275.13931	6.8
283.10605	1.4
285.08624	11.3
287.10345	6.4
291.11279	2.0
299.10123	1.5
300.10947	2.0
301.11777	100.0
305.07980	3.3
305.11142	21.0
306.09854	1.6
307.10666	1.9
308.10690	1.5
311.10443	1.9
312.09940	1.9
313.08228	8.1
319.10815	5.0
320.11072	1.7
321.12344	1.5
323.13773	1.5
329.11246	2.2
333.12396	4.9
336.09723	2.0
336.13461	2.0
339.09470	1.5
339.13367	2.8
347.10165	2.3
351.12439	10.4
356.80746	1.3
357.10736	1.5
361.11932	2.7
362.11469	2.2
364.12744	14.0
364.16498	1.2
366.14523	5.1
367.12842	14.7
369.14688	1.6
378.14438	3.0
379.12689	17.1
385.13861	59.0
391.11719	1.6
394.13947	5.6
395.12314	1.8
404.16141	1.6
406.13824	12.3
407.12271	25.0
413.13272	17.1
423.14426	2.3
424.14908	39.1
425.15814	2.8
426.19891	8.6
432.15524	2.4
445.46249	1.4
450.20697	2.3
466.16028	42.2
472.20865	1.4
478.20013	1.4
498.18616	62.3
559.25299	1.7
587.24878	17.4
589.26782	2.2
605.26038	22.7
607.27887	4.6
617.26300	1.5
635.27002	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.00060	2.3
55.01872	3.3
55.05514	21.5
57.03426	10.8
57.07072	5.1
61.60050	2.2
64.33550	2.6
65.03909	3.5
66.05858	2.3
67.05498	53.1
69.07062	17.9
79.05475	45.1
81.07043	53.7
83.08591	10.6
91.05476	44.7
93.07023	45.3
95.04963	4.9
95.08582	40.1
97.06525	3.5
105.07027	35.4
107.08575	25.2
109.06512	3.9
109.10158	12.7
113.34801	2.8
117.07006	27.9
119.08568	31.7
121.10123	13.7
129.06999	27.0
131.08534	34.0
133.10139	14.6
135.11728	3.7
141.06984	16.0
143.08551	22.9
145.10117	26.9
147.11696	11.9
153.06981	3.0
155.08530	18.6
157.10092	24.5
159.11710	14.4
161.13266	4.6
165.07004	3.9
167.08537	16.6
169.10085	23.8
171.11674	14.1
173.13316	12.9
174.14134	2.8
179.08488	10.0
181.10086	22.1
183.11653	18.9
185.13290	5.9
187.14833	4.7
191.08516	4.4
193.10161	12.1
195.11703	19.0
197.13216	13.1
199.14734	3.5
205.10136	6.5
207.11684	16.3
209.13249	18.0
211.14857	5.1
217.10083	4.1
219.11713	5.0
221.13165	10.7
223.14784	6.1
225.16443	3.2
233.13338	4.5
235.14844	11.6
237.16322	5.3
239.17943	4.0
245.13254	3.9
247.14688	5.3
249.16289	6.5
251.17726	3.7
263.17923	3.8
265.19574	3.3
273.18759	3.0
277.19427	4.6
291.19321	3.2
354.47275	3.0
399.78137	2.8
429.31680	3.1
482.24481	3.2
541.40131	16.8
559.41522	5.5
615.43713	12.5
633.45239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01944	6.4
55.01878	15.4
55.05503	55.6
57.03431	14.0
57.07058	12.1
61.88333	6.1
62.25787	7.0
67.05489	47.3
69.07051	34.5
71.04982	7.9
71.08642	7.3
75.56957	6.6
79.05473	69.8
81.03392	12.0
81.07046	100.0
83.08620	9.0
91.05478	61.0
93.07042	52.0
95.04941	17.7
95.08592	18.6
97.06494	8.4
97.10164	11.1
105.07005	57.5
107.04960	16.8
107.08604	41.7
109.06518	16.0
109.10153	14.1
117.06998	41.1
119.08566	52.6
119.69511	7.5
121.06535	15.0
121.10133	31.5
128.57500	7.2
131.08569	14.7
133.06512	11.8
133.10120	17.0
135.08089	15.5
143.08560	14.4
145.06471	14.1
145.10124	33.8
147.08055	18.5
147.11710	8.4
150.70497	8.6
157.10120	11.4
159.08017	14.4
161.09590	15.2
193.12218	56.5
271.16617	13.7
273.18283	67.8
276.08020	7.1
289.17984	47.3
291.19516	51.2
313.27350	28.7
553.20001	8.6
597.37738	17.0
603.87836	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	632.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77302	2.1
55.01865	5.0
55.05518	2.9
57.03431	4.8
57.07072	22.2
57.43769	2.8
67.05494	15.6
69.07070	4.5
71.04993	16.4
71.08607	12.7
79.05486	38.2
81.07045	17.6
82.34261	2.5
83.08631	3.0
85.10178	4.3
87.04485	3.9
91.05471	12.8
92.08729	5.7
93.07044	4.1
95.04954	12.0
95.08585	28.7
95.09123	3.1
99.04455	3.1
105.07014	100.0
107.04942	19.1
107.08587	4.2
109.10152	4.5
114.55272	3.0
115.05432	6.6
117.07001	21.7
123.08071	5.0
128.06215	2.6
129.05516	3.7
129.07039	6.3
129.15456	2.7
133.06491	23.1
133.10149	3.3
143.08566	5.9
145.10034	3.3
151.07536	43.9
157.10129	4.2
167.08592	6.0
169.08614	27.6
171.08051	4.1
173.08115	6.1
185.09630	10.9
189.09151	3.7
203.10622	4.4
213.09145	5.4
231.10182	13.7
249.11162	4.0
313.27377	33.8
316.02502	2.7
337.00644	2.8
411.30688	4.8
465.15378	3.0
504.62793	3.0
539.36871	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	632.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01867	1.1
55.05503	14.1
57.03429	20.4
57.07076	1.2
60.86032	0.8
61.02901	4.0
65.03908	1.0
67.05492	51.9
67.05850	1.8
67.27672	0.9
69.07056	14.6
71.01337	4.6
71.04979	4.5
75.14470	0.8
79.05475	41.9
81.03423	6.9
81.06615	1.3
81.07045	26.6
82.26894	0.8
83.04977	13.0
83.08592	3.6
85.02898	4.3
85.06517	3.7
91.05464	16.7
93.07023	55.1
95.04950	5.7
95.08587	7.5
97.02845	1.2
97.06506	13.5
97.10146	11.7
99.07994	1.0
105.07014	4.6
107.04918	1.7
107.08577	39.7
109.06488	1.6
109.10143	7.1
117.06988	6.0
118.35068	0.9
119.08553	10.5
121.10110	7.2
125.09570	1.2
130.07753	1.4
133.10085	6.1
135.11671	56.2
140.45003	0.9
145.10110	10.9
163.11143	6.9
168.89519	0.9
181.12173	9.1
199.13330	1.9
255.15869	47.5
435.27356	100.0
436.27335	1.8
487.75320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
54.71080	1.8
55.01851	2.7
55.05501	14.7
57.03424	24.3
57.07052	4.1
59.67330	1.9
61.02897	7.2
62.78317	1.6
65.03925	1.8
67.05492	55.6
69.03442	1.8
69.07039	10.3
71.04974	100.0
73.02918	2.2
76.64072	1.5
79.05471	32.0
79.53199	1.7
81.07037	45.7
83.08591	3.6
85.02872	4.1
85.10157	2.4
89.06001	7.5
91.05438	17.6
93.07018	42.6
95.04991	2.0
95.08585	47.7
97.06503	1.9
97.10123	2.6
99.04434	42.9
105.07021	11.8
107.08571	22.2
109.10149	12.2
117.06985	7.6
119.08546	15.3
121.10149	15.8
123.11697	3.7
129.05455	11.2
131.08572	7.8
133.10115	7.6
135.07993	2.3
135.11667	10.8
145.10106	4.1
147.11710	2.1
149.13229	3.4
157.10252	2.3
159.11714	4.5
161.13286	2.3
163.14745	2.3
166.79135	2.2
173.08052	61.0
173.13269	2.5
187.14743	2.9
243.21083	3.5
261.22055	12.4
281.73526	2.1
335.25711	72.5
336.26013	2.2
337.27527	2.5
341.24515	4.3
353.38699	1.8
433.29510	26.0
451.30536	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	630.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.3
57.07070	52.3
61.94399	1.5
67.05488	7.6
69.07051	1.9
71.08614	31.7
73.06535	10.8
73.28354	1.5
75.80426	1.7
79.05510	1.7
81.07041	3.4
85.10173	23.3
85.21165	1.7
87.04449	10.2
89.06013	100.0
93.07031	2.4
97.10139	1.7
104.09997	1.8
107.07048	4.2
117.09113	6.8
120.36501	1.8
133.08589	37.1
155.17967	2.1
173.07964	2.0
177.11177	16.9
221.13690	2.3
243.23116	6.8
247.77299	1.8
250.72176	1.7
277.56137	2.0
287.25888	8.1
329.75732	1.8
415.24936	1.9
459.27808	2.8
467.47247	2.4
613.45142	18.4
630.47247	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	632.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.05508	11.1
55.79445	1.0
56.05047	1.2
58.99574	14.9
64.10184	1.0
64.66208	0.9
67.05500	10.5
69.03426	1.7
69.07059	11.8
70.02908	0.9
71.88087	1.0
74.00655	6.1
74.76360	1.0
76.02213	45.4
76.03980	2.4
79.05481	15.9
80.05001	2.0
81.03392	2.3
81.07047	29.8
82.06597	1.2
83.04972	4.9
83.06093	5.9
83.08183	0.9
83.08592	8.1
84.04498	20.2
85.04018	1.5
85.06053	1.1
85.06548	1.2
86.99051	4.7
88.02182	1.2
91.05478	10.5
92.63715	1.2
93.07024	12.1
95.04940	6.2
95.08597	8.0
97.01103	4.4
97.02876	2.0
97.06503	4.7
97.10151	11.4
105.07013	6.2
107.04961	4.3
107.08581	9.0
109.02854	1.1
109.06494	4.5
109.07628	1.1
109.10138	2.6
111.02660	2.3
111.04425	1.6
111.08052	1.4
112.02177	6.3
112.03917	1.1
113.00565	7.8
114.03739	1.7
116.01671	22.9
117.07011	4.8
119.08570	7.0
121.06528	2.0
121.10132	4.1
123.04430	2.0
123.08044	4.9
124.02193	10.6
125.09616	6.9
126.03735	9.9
129.04945	1.2
129.06673	5.4
130.04977	7.0
131.08560	4.9
133.10106	4.1
135.02628	1.1
135.04480	1.2
135.08015	5.7
135.11679	1.9
136.02245	1.5
137.05916	1.1
137.09566	2.1
138.03708	2.2
139.02173	1.2
140.01665	1.4
141.04842	2.1
142.03157	8.1
143.08543	2.1
144.01141	10.2
145.06078	2.5
145.10114	5.2
149.09581	1.3
152.01688	1.5
152.05200	1.4
153.09131	1.4
153.12743	4.7
155.08270	1.2
157.10115	2.0
159.08031	2.6
161.09644	2.3
162.02171	17.8
163.05876	1.3
163.11148	1.6
173.09554	1.2
177.03304	4.3
179.04848	12.3
181.06161	1.3
185.03844	7.6
187.05394	5.5
189.11270	1.3
192.08359	2.0
193.06833	5.1
193.12244	2.0
194.10025	5.9
195.08339	1.7
222.09531	2.0
222.14851	1.1
223.07918	1.7
224.11073	2.6
231.04382	8.6
233.05826	10.5
236.11011	2.2
238.12677	4.4
240.10512	7.1
242.12021	2.1
254.12076	4.5
256.13754	1.3
266.12079	2.4
278.12094	6.4
284.13162	1.8
289.17978	6.3
307.19028	2.0
308.09079	4.4
311.14291	7.4
321.15268	7.8
329.15451	1.9
344.04395	1.2
346.18115	9.9
347.16714	1.7
357.14749	9.5
364.19275	17.8
365.17752	5.0
382.20279	8.7
383.18536	1.3
400.21161	1.3
449.21054	2.6
467.22031	21.1
485.23117	100.0
486.23444	1.3
557.24951	8.2
596.26093	4.8
632.27612	13.7
634.31873	1.2
640.45264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.4
55.01859	10.0
57.03423	6.5
59.77169	0.8
61.02909	6.6
65.03928	1.6
68.99781	4.1
69.03414	24.9
71.04976	4.1
73.02895	8.5
79.05470	1.8
79.37903	1.0
81.03395	30.6
85.02889	58.8
87.00811	32.0
91.03982	1.1
91.05463	13.9
93.07024	1.7
95.04955	6.2
97.02869	38.9
99.04443	12.4
102.04653	7.4
103.03948	4.3
103.05437	16.8
105.01841	17.2
105.03355	1.4
105.07032	12.8
107.04918	1.5
109.02863	28.1
109.06501	1.2
111.04436	1.1
115.03893	1.6
115.05430	1.7
117.01854	5.8
117.06995	1.3
119.04916	16.9
121.02861	1.9
121.06476	24.6
122.03611	7.8
124.05129	1.4
127.03889	23.7
129.01801	4.0
130.04129	8.5
131.04892	27.9
133.02806	3.8
133.06473	7.1
134.03592	3.7
135.04407	7.3
136.88721	0.9
137.02353	1.7
137.05952	100.0
139.03897	1.1
141.06979	2.0
145.04930	12.7
145.06006	1.1
145.06517	1.0
147.04387	28.2
149.05946	25.3
150.06746	14.7
151.03891	17.6
151.07510	3.9
153.06970	2.4
159.02873	12.5
159.04303	2.2
161.05965	19.7
162.06728	31.7
163.03886	5.8
163.07510	20.2
165.05446	4.1
167.03316	1.2
169.06436	1.8
175.03903	2.0
175.07533	4.8
176.04706	1.3
177.05412	7.6
178.02602	4.7
179.07013	5.8
181.04924	4.8
181.06523	4.8
187.07484	2.4
189.03929	4.0
191.07008	33.8
193.04942	15.9
193.06525	1.3
196.05127	2.1
197.05983	5.7
198.06664	1.5
203.06956	8.2
205.04961	1.1
205.08554	1.4
209.05887	1.5
211.07607	7.6
213.03899	1.5
213.09082	1.6
214.06122	1.1
215.07008	5.7
222.06081	1.1
223.05945	1.7
225.05563	1.5
229.08563	7.2
231.04979	4.2
233.08051	10.1
239.07132	1.9
240.07860	1.3
253.08499	1.3
257.07990	6.6
269.07907	1.4
275.09067	4.4
285.07526	1.5
297.07556	24.8
299.09061	19.3
311.09073	2.0
317.10107	11.4
329.10107	24.6
347.11133	9.8
361.09140	1.4
379.10175	11.8
434.95734	1.1
529.12091	1.2
541.13763	1.2
547.14392	1.6
565.15625	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	630.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40741	1.7
56.96545	2.5
57.07071	12.9
58.06585	2.2
64.10483	2.0
67.05479	2.6
70.06583	29.4
79.05468	1.9
81.07010	1.7
88.07619	27.5
91.05463	2.9
102.09155	24.6
119.95309	1.8
137.05966	34.0
147.04387	2.6
149.02319	62.2
149.03439	3.8
163.03868	1.9
193.03175	2.8
193.04933	85.1
206.38664	1.9
219.06537	2.9
226.11140	11.4
228.23187	62.7
228.25296	2.8
237.07570	25.4
242.10864	2.0
244.12160	10.0
297.04095	2.5
317.44873	1.9
325.17947	12.6
341.06561	12.2
359.07477	9.2
385.09103	22.1
429.11819	37.5
630.32611	100.0
631.32123	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	628.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.5
57.03435	5.8
57.07068	6.9
58.06591	35.2
59.07373	11.1
60.08154	9.8
67.05495	10.5
69.07027	1.5
71.04926	0.5
71.08621	3.9
71.27941	0.3
75.04476	2.9
79.05469	0.6
81.07039	3.5
83.08584	1.6
84.08092	0.5
85.02864	2.6
85.10153	1.6
87.04457	3.5
87.75456	0.4
89.06013	3.0
91.05421	1.5
93.07002	0.4
95.08601	3.1
102.05444	0.7
103.03909	0.7
107.08526	0.5
109.10139	6.4
113.05959	0.6
124.53158	0.4
131.06978	1.4
131.08600	0.4
133.08546	1.5
137.09486	0.4
144.10182	16.6
162.11237	5.2
166.82918	0.4
218.13795	0.9
236.14894	100.0
313.27188	0.6
369.30087	0.5
372.23758	6.3
390.24811	9.2
412.37793	0.5
415.25217	0.8
438.63934	0.4
456.36868	8.1
474.37857	16.4
628.47742	83.6
629.47614	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	629.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50555	1.4
67.05489	16.7
69.11086	1.5
79.05473	30.6
91.05467	7.6
93.06999	1.6
95.04971	1.7
100.39436	1.5
103.05430	2.6
105.07008	3.4
115.05457	6.2
115.82545	1.5
117.06998	11.2
119.08569	3.8
128.06195	9.5
129.06976	9.9
131.08562	9.1
143.08551	21.4
145.06508	3.0
145.10158	2.7
146.62598	1.7
153.06978	2.8
155.08574	12.6
165.06963	13.8
166.07796	8.4
167.08502	3.4
169.10205	2.2
171.08038	7.3
173.05965	7.0
176.09779	1.5
178.07819	2.8
179.08534	56.8
180.09302	3.8
181.10091	10.9
192.09335	7.6
193.10120	2.7
194.10878	30.5
207.11742	6.7
209.13229	66.6
209.15096	3.0
214.08676	2.0
216.10156	63.1
216.12195	2.5
225.12675	2.5
242.08069	28.6
252.13838	15.7
253.12206	3.0
254.08055	1.7
268.13107	2.2
270.14859	45.2
296.12781	7.2
302.17480	59.5
302.20935	2.4
319.88239	1.9
328.15637	2.0
337.49765	1.8
360.03723	1.7
527.12451	1.8
597.29242	2.6
629.32092	100.0
630.32898	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	628.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01865	5.0
55.05507	20.3
56.69299	1.1
57.03418	6.4
57.07066	4.9
57.26229	1.1
61.02916	1.7
67.05492	25.2
67.62193	1.1
69.03409	11.6
69.06708	2.3
69.07056	36.0
71.04980	2.8
79.05475	12.9
81.03396	7.7
81.07042	38.6
83.04948	2.2
83.08604	21.4
85.02883	18.5
85.06535	1.8
87.00814	11.0
90.20281	1.2
91.05470	8.3
93.07026	16.6
95.04963	2.0
95.08585	41.0
97.02861	6.2
97.06509	7.4
97.10143	17.4
99.04435	3.0
105.01854	6.6
105.07006	8.4
107.04922	1.5
107.08576	10.7
109.02879	9.3
109.10141	17.9
111.08053	4.6
111.11715	6.0
119.08553	13.5
121.10114	12.2
123.11668	5.8
125.09571	2.0
127.03059	1.4
127.03851	10.6
133.10048	9.8
133.79140	1.3
134.79707	1.4
135.11678	15.1
137.09528	1.7
137.13214	2.4
139.11110	1.7
145.04901	2.3
145.07231	1.3
147.04349	1.6
147.11702	7.9
149.13258	2.5
151.14748	1.6
159.02939	1.7
161.13257	6.4
163.03966	1.8
165.12733	3.0
175.14908	1.6
179.14336	1.6
217.19464	11.1
235.20540	7.7
241.49840	1.8
244.51010	1.2
253.21629	7.4
294.21225	1.5
309.24265	5.7
327.25229	100.0
345.26248	20.8
349.62396	1.2
352.58163	1.4
413.30658	1.9
557.29639	1.5
575.30219	2.3
593.31445	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	628.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36982	0.7
53.03940	1.9
54.58606	0.7
55.01861	1.4
55.05506	19.8
55.82170	0.8
57.03430	7.7
57.07058	5.1
60.10065	0.8
61.02914	0.9
63.38914	0.7
63.75441	0.8
63.97750	0.9
67.05493	21.3
69.03418	7.6
69.07053	27.3
71.04974	2.1
73.02895	1.1
79.05471	8.9
81.03413	9.5
81.07040	31.1
83.04971	1.8
83.08610	18.7
85.02903	17.4
85.06526	4.3
87.00805	9.2
91.05453	7.8
93.07028	14.0
95.04947	1.3
95.08581	29.5
97.02895	7.1
97.06516	6.3
97.10148	17.3
99.04417	3.7
99.08081	1.5
102.01511	1.0
105.01846	3.6
105.07022	6.4
107.08576	8.5
109.02876	7.9
109.06464	1.2
109.10139	15.1
111.08109	1.5
111.11691	6.6
119.08543	8.8
121.10127	11.6
123.08048	1.0
123.11692	7.1
127.03907	10.0
133.10097	11.5
135.11668	12.7
137.09573	1.9
137.13268	1.8
139.11133	1.3
145.04939	2.2
147.11684	6.0
149.13239	2.2
151.11096	1.6
151.14793	1.5
151.39140	0.9
153.12671	1.4
157.43729	1.2
159.02922	1.3
161.13228	7.7
165.12758	1.1
179.14240	1.1
193.15683	1.2
193.19601	0.9
217.19461	10.2
227.83028	1.0
235.20517	8.2
253.21626	6.4
309.24319	1.7
327.25241	100.0
345.26245	19.7
363.27548	1.5
513.30670	1.8
575.30585	2.0
593.31287	2.2
606.43372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01862	0.7
55.05503	0.9
67.05503	2.0
69.03416	4.6
69.07057	0.8
71.05006	0.5
79.05487	2.4
81.03407	6.3
81.07037	3.5
82.07365	0.6
83.04973	3.1
85.02904	6.3
85.06482	0.6
87.00832	3.0
89.03895	4.0
91.05462	5.0
93.07034	2.2
95.04959	2.2
95.08605	2.6
97.02876	3.6
99.04439	1.2
100.16853	0.4
103.05456	5.5
105.01820	1.0
105.07033	1.1
107.04929	1.2
107.08568	0.6
109.02877	7.2
109.10152	1.3
111.04422	3.7
117.01742	0.5
117.03371	6.3
117.07006	2.6
119.04942	10.5
119.08566	1.2
121.02863	0.6
121.06502	0.8
121.10137	1.1
122.03657	0.9
123.11650	0.7
127.03902	4.4
131.04916	16.0
131.08455	0.6
135.04416	16.1
135.08043	0.9
137.02328	100.0
137.05951	21.0
145.02856	10.9
145.06462	0.9
147.04396	25.6
149.05943	0.8
149.09660	0.6
151.07541	8.3
155.03387	0.9
157.06482	0.8
159.02940	0.6
161.05995	2.6
162.06755	0.9
163.03883	61.6
163.07520	24.2
171.08000	0.6
175.07492	4.8
177.09088	78.0
189.09096	0.7
195.08084	0.8
195.10165	0.7
215.83322	0.5
221.09660	0.7
221.11711	11.4
227.10661	2.1
237.09102	0.6
253.12260	0.6
255.10191	0.8
263.05481	2.7
265.08319	0.6
293.11591	0.7
299.07788	1.1
299.12845	0.6
311.12775	2.1
313.14221	0.7
331.15460	3.8
343.15497	2.7
357.96182	0.6
445.10648	0.7
461.10690	1.2
483.75037	0.6
621.11334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01886	1.6
56.17351	0.3
57.03436	1.5
61.02932	0.6
65.03952	0.4
67.41132	0.3
68.99797	0.4
69.03418	6.8
71.01338	0.4
71.05000	0.4
73.02926	0.6
73.51294	0.3
73.66070	0.4
74.09753	0.3
76.22303	0.4
79.05489	1.5
80.57928	0.3
81.03399	7.4
81.07081	0.6
81.98460	0.3
85.02890	11.2
85.03360	0.5
87.00806	5.4
89.03893	4.4
89.04285	0.3
91.03953	0.4
91.05486	0.9
93.07046	0.5
93.78582	0.3
94.04137	0.4
95.04960	0.9
97.02864	6.0
99.04432	2.2
103.05455	4.0
105.01831	4.1
105.02433	0.3
105.07006	1.7
107.04945	3.4
109.02853	5.2
109.06487	0.6
109.72304	0.3
111.04449	1.5
115.05452	0.4
117.01795	0.6
117.03354	6.9
117.07056	0.6
119.04954	2.1
121.06476	1.7
122.03664	2.4
127.03883	7.4
128.06247	0.4
129.01863	0.5
131.04913	7.2
133.06470	6.7
135.04401	20.9
135.08038	2.9
137.02324	77.3
137.03377	4.5
137.05952	51.6
137.72015	0.4
138.02626	0.6
143.08522	0.9
145.02829	15.7
145.03938	0.7
145.04935	0.8
145.06477	2.3
147.04396	6.4
147.08067	0.6
148.69299	0.4
149.05933	0.5
151.07526	3.9
157.06413	0.7
158.06023	0.4
159.02859	1.6
159.07965	0.6
161.05977	1.4
163.03873	100.0
163.07506	15.8
166.62077	0.4
171.08003	0.8
174.06712	0.6
175.07480	2.2
177.09084	12.6
187.07494	1.6
189.09012	2.6
201.09012	0.5
203.10616	1.9
219.10031	1.3
220.10489	0.5
221.11662	2.2
229.08566	0.6
231.04935	0.6
247.60045	0.4
263.10434	0.6
281.06458	0.5
295.13290	4.1
304.13391	0.4
327.15833	9.7
343.90427	0.3
345.16785	2.6
351.15610	0.6
369.16779	1.5
411.17560	0.5
417.90466	0.4
435.17642	0.5
445.10867	2.3
453.19043	0.6
461.10706	19.9
575.13440	0.6
584.58862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.0
55.01859	6.7
55.05507	49.9
57.07063	8.6
58.75273	5.7
67.05490	100.0
69.07058	45.0
71.04977	5.8
71.63054	5.3
75.06078	6.2
79.05476	65.5
81.03394	7.2
81.07044	75.2
83.08588	22.3
91.05455	62.3
93.07027	57.6
95.04938	9.6
95.08595	64.2
97.06499	6.8
105.07006	75.1
107.07955	5.7
107.08559	43.1
109.10149	13.7
117.07014	38.3
119.08565	43.5
121.10100	9.5
123.08075	5.5
125.09588	7.2
129.06972	26.0
131.08556	36.0
133.10098	46.6
141.06978	9.8
143.08543	32.0
145.10115	33.7
147.11639	6.2
149.09550	8.7
150.19630	6.1
155.08621	10.0
157.10114	32.6
159.11714	13.9
161.13315	6.5
167.08505	7.3
169.10089	24.9
171.11696	21.6
173.13213	11.3
183.11684	23.9
185.13177	13.1
195.11650	11.2
197.13182	10.0
247.55592	6.1
374.45041	5.8
380.93979	6.2
417.64450	5.9
440.35010	5.9
461.70862	5.9
513.35779	8.1
527.37451	20.4
581.37946	6.6
607.43304	51.8
625.44379	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01879	1.3
57.03428	0.4
58.46191	0.2
61.02911	0.3
69.03418	3.6
71.01377	0.4
71.04982	0.4
72.97919	0.3
73.02911	0.5
79.05467	0.5
81.03403	5.8
83.04971	1.5
85.02883	4.7
87.00821	2.3
89.03892	4.9
91.05470	0.5
91.33594	0.2
95.04966	0.4
97.02872	2.9
99.04426	1.5
105.01868	0.6
107.04950	2.2
109.02869	5.0
111.04423	0.4
115.05458	0.3
117.03357	7.4
117.36500	0.3
119.04945	0.5
122.03633	1.0
127.03911	4.2
129.06989	0.4
130.55981	0.3
131.04892	1.1
135.04393	19.6
137.02325	95.3
137.03375	6.1
137.05930	10.5
138.02698	0.4
138.06306	1.5
143.04961	0.4
145.01683	0.6
145.02835	15.3
145.04892	0.5
151.03868	0.3
151.07489	3.5
155.03339	0.5
159.02928	0.5
161.05901	0.6
163.03873	100.0
163.07527	1.7
164.04221	0.6
167.08504	0.4
175.07532	3.2
176.07756	0.4
177.09160	2.4
178.00325	0.3
187.07349	0.6
188.07755	0.4
189.09029	0.6
195.07994	0.6
201.87785	0.3
223.07445	0.3
227.10611	1.1
234.29468	0.3
249.08780	0.3
251.10565	0.3
255.10057	0.6
263.05426	1.3
279.10172	0.3
285.10925	0.4
287.12793	0.4
311.12692	1.0
313.14157	0.5
323.12790	0.4
331.15247	4.2
341.13492	0.3
343.14905	1.2
461.10675	7.8
488.64142	0.3
543.18329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	3.4
53.03938	2.5
55.01866	23.3
55.05505	36.3
56.61662	2.1
57.03415	10.6
57.07055	2.2
65.03933	2.9
67.05495	69.0
69.06708	3.8
69.07056	61.8
71.04980	2.0
71.50891	1.7
79.05479	58.0
81.03409	3.6
81.07040	68.5
83.04960	5.4
83.08595	13.7
84.54567	2.2
85.06516	2.9
89.56594	2.0
91.05465	79.9
93.07027	55.2
94.40625	2.3
95.01308	10.3
95.04936	16.9
95.08586	47.0
97.06518	23.7
97.10201	3.9
105.07018	100.0
107.04949	16.5
107.08591	30.2
109.10161	15.9
111.08054	3.3
117.07014	25.8
119.08562	51.6
119.46591	2.4
121.06485	2.9
121.10120	13.1
125.09575	2.7
128.06201	2.1
129.06981	14.7
131.08546	42.8
133.10114	48.3
135.11681	12.8
137.09499	2.7
141.06969	8.3
143.08554	22.1
145.10089	28.6
147.04430	2.8
147.11678	24.7
149.09581	5.0
149.13272	4.6
155.08522	4.5
157.10042	18.8
159.11636	19.7
161.13249	13.4
163.11270	2.9
167.08516	2.9
169.10081	3.9
171.11678	19.4
173.13254	15.1
175.14807	2.8
179.14261	3.5
181.10146	3.3
183.11661	4.7
185.13264	12.5
187.14757	3.9
195.11646	4.2
197.13283	4.2
199.14763	5.0
211.14842	3.4
221.13229	2.7
241.19447	11.6
241.76974	2.2
259.20483	15.8
275.19998	35.8
315.23141	3.0
333.24167	25.9
349.23663	22.6
374.56213	2.5
409.30951	2.3
437.33881	4.2
511.37265	3.1
513.35535	3.6
527.37726	3.8
529.38605	2.9
533.40094	2.6
536.50385	2.5
607.43549	53.6
625.44818	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	625.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42628	1.6
54.27232	1.6
56.30510	1.7
58.00567	1.7
91.05461	2.7
93.07083	1.8
97.10172	2.0
126.29068	2.2
145.21187	1.8
163.84856	1.9
181.06992	1.8
241.18027	2.4
259.21954	2.3
333.20309	4.2
471.56573	2.3
625.29425	4.3
625.40619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.0
55.01866	25.0
55.05511	38.4
56.91430	2.9
57.03432	8.1
67.05491	72.9
69.00932	2.8
69.07052	51.9
71.08614	3.6
75.33355	3.1
77.22988	3.6
79.05475	65.3
81.03395	6.7
81.07040	74.4
83.04964	6.9
83.08601	15.6
91.05461	82.8
93.07013	59.8
95.04951	19.0
95.08575	57.7
97.06506	19.3
97.10160	3.6
105.07023	100.0
107.04945	21.7
107.08595	32.0
109.10158	20.3
109.42928	3.7
110.05865	3.3
112.74234	4.5
117.07035	31.9
119.08578	57.8
121.06438	4.7
121.10091	16.4
125.09600	6.3
129.06998	21.6
131.08542	43.7
133.10089	45.3
134.34866	3.6
135.11684	7.9
141.06976	4.9
143.08514	30.2
145.10103	32.3
147.11705	22.1
149.09619	6.1
155.08508	13.0
157.10117	18.8
159.11687	18.8
161.13234	8.0
163.11101	5.6
169.10129	14.1
171.11688	18.0
173.13269	17.7
175.14810	8.0
176.27718	3.6
179.14221	4.7
181.10020	3.6
183.11723	14.6
185.13246	8.1
187.11183	4.0
195.11710	4.5
197.13185	7.6
211.14868	6.0
241.19449	7.9
257.18771	3.8
259.20483	7.3
275.20053	24.4
313.21405	3.8
333.24277	19.1
349.23657	14.6
428.37231	4.2
437.34201	4.1
513.34808	4.6
515.46405	3.9
527.37115	6.6
576.15271	4.7
607.43488	51.5
625.44885	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
55.21340	0.9
57.07044	1.3
60.75863	0.9
65.57780	1.0
67.05487	2.5
69.07055	2.3
79.05486	2.3
81.03427	1.3
81.07048	1.4
91.05462	2.4
93.07047	1.6
95.08551	2.0
105.07092	1.8
107.08613	1.5
119.08577	1.3
121.98618	1.3
145.10106	1.6
201.61011	1.1
242.76160	1.2
315.19409	1.3
333.20413	2.6
348.23169	1.4
558.25989	1.4
625.40631	100.0
626.41174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
60.98918	0.6
66.44581	0.7
67.05492	1.4
73.18346	0.7
78.29202	0.5
79.05496	1.2
81.07066	2.7
84.07430	0.7
87.73254	0.6
90.90127	0.7
91.05472	1.2
92.08603	0.8
93.07035	1.6
106.00304	0.8
107.08588	0.8
111.02312	0.8
135.39726	0.6
276.46542	0.8
304.80832	0.7
315.19199	1.4
333.20343	3.2
444.32263	0.8
625.40631	100.0
626.40308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31338	1.4
62.55371	1.5
73.33051	1.6
81.07042	2.4
101.05833	1.8
103.13947	1.6
105.06966	2.6
114.36829	1.6
162.74086	1.7
238.93167	2.1
282.83734	1.9
302.60992	2.0
333.20499	2.4
461.13565	2.0
625.40674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15576	2.4
53.03940	3.9
54.81891	2.4
55.01870	22.8
55.05507	26.1
57.03424	6.3
57.07063	4.5
64.33870	2.0
66.02636	1.9
67.05489	63.2
69.03326	2.1
69.07053	62.2
71.08616	2.3
79.05477	51.0
81.03385	5.3
81.06590	3.7
81.07043	62.7
83.04950	4.3
83.08603	9.4
91.05460	80.6
92.09257	5.6
92.64558	2.5
93.07027	53.0
95.01331	5.9
95.04941	15.0
95.08588	48.2
97.06498	18.6
97.10150	2.7
105.07018	100.0
107.04944	18.3
107.08582	26.8
109.06469	2.7
109.10152	14.7
117.07007	24.6
117.83928	3.4
119.08559	51.8
121.10116	15.0
125.09656	2.7
129.06961	13.3
131.08557	33.7
133.10124	42.6
135.11658	12.4
141.06912	4.5
142.07747	3.6
143.08571	16.6
145.10117	32.3
147.04330	3.2
147.07990	3.1
147.11633	19.6
149.09599	4.7
155.08492	5.3
157.10126	16.3
159.11613	21.4
159.84792	2.9
161.13283	13.2
163.11166	2.9
169.10121	13.9
171.11678	13.8
173.13248	11.3
175.14764	5.1
183.11697	11.8
185.13199	10.7
187.14793	3.2
197.13202	5.5
199.14752	2.9
204.81308	3.1
223.14906	3.5
241.19576	5.2
252.42879	2.6
259.20529	12.7
274.47009	2.6
275.20041	24.4
293.21057	3.0
315.23080	4.9
322.40698	2.7
333.24271	18.6
349.23639	16.1
435.32407	3.2
508.54932	3.3
551.40918	3.1
607.44006	32.9
625.40662	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	625.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01876	2.1
55.05508	16.5
58.43481	0.9
67.05499	13.0
69.03416	13.2
69.07047	6.0
70.03741	1.4
71.04959	1.3
73.02894	1.2
79.05473	6.8
80.05794	1.1
81.03394	8.9
81.07032	18.9
82.07374	2.7
83.04973	38.5
83.08601	2.2
84.05302	5.7
85.02897	8.6
85.06532	2.2
87.00822	2.3
91.05468	5.3
92.05812	1.2
93.07000	11.3
94.06559	2.8
94.07349	1.1
95.04957	5.9
95.08588	12.5
96.08932	1.8
97.02873	1.8
97.06521	5.5
97.10153	5.4
99.04442	2.0
99.08091	1.3
101.06040	1.3
105.01815	1.5
105.06334	1.3
105.06974	8.5
106.07362	1.1
107.08578	11.3
108.08902	1.7
109.02872	4.6
109.06472	1.9
109.10133	7.7
110.10522	1.1
113.06037	1.3
115.07548	7.3
119.08553	7.0
120.08894	2.2
121.10116	5.7
122.06029	18.9
123.11695	5.5
124.07562	4.9
127.03917	2.7
131.08568	1.9
132.08887	1.6
133.10078	2.4
134.10516	1.4
135.11690	2.4
137.02321	7.3
137.05925	1.5
144.95523	1.3
145.10133	1.8
147.04393	2.3
147.11676	2.5
148.12039	2.4
149.13295	2.4
162.07883	1.8
163.03874	4.2
163.14731	1.5
163.50122	1.1
168.52513	1.3
175.08658	2.6
181.66943	1.2
185.10757	1.8
186.07886	2.2
187.08673	2.1
188.09409	6.5
189.10208	5.8
199.08664	5.9
201.10252	2.3
204.06525	2.3
205.09566	1.4
213.05428	1.7
213.10237	7.7
214.05812	1.3
214.10995	1.7
215.11761	6.5
216.08994	1.5
217.09727	24.7
222.91373	1.3
225.10077	4.3
227.08069	4.6
234.10081	1.7
235.10695	2.3
239.11913	1.7
241.04962	1.5
241.09709	39.0
242.05197	1.4
242.10381	2.5
243.11256	29.7
251.11859	1.4
257.12982	1.9
259.10782	6.0
260.06241	1.8
260.11536	4.6
261.12051	8.5
265.13107	1.4
267.11304	15.4
269.04419	39.3
269.09216	4.9
269.12833	1.2
270.04761	27.8
271.04803	1.3
278.16507	1.8
279.13306	1.4
280.14297	1.6
285.12009	4.0
287.10242	6.6
288.05920	1.2
291.14096	1.4
292.14346	1.7
296.13892	1.6
297.03888	6.3
298.04236	10.0
303.22827	1.7
304.17822	1.5
304.23495	5.1
305.24371	1.5
306.16003	6.2
310.15445	5.0
313.11716	1.6
319.16742	5.2
320.13931	5.1
320.17413	3.6
322.24451	4.5
332.17569	7.3
333.14648	1.8
334.15265	1.9
336.16974	7.0
337.15546	1.8
338.15030	7.9
348.13110	1.7
348.17194	1.4
354.17926	1.5
356.16003	7.1
360.17017	4.7
361.17917	1.8
362.15005	20.7
364.16550	25.0
378.18094	6.7
379.18842	5.9
380.16055	20.5
382.17551	43.4
388.16464	11.3
400.18613	100.0
401.18811	1.5
404.19638	5.0
405.20453	10.6
406.17490	30.9
408.15302	2.6
422.20572	1.9
423.21506	1.7
424.18716	9.5
426.16556	11.6
434.17578	3.8
440.21857	2.4
452.18060	12.1
460.09259	1.8
470.19174	56.2
501.24615	1.9
509.25519	1.4
512.17810	1.5
527.26831	2.7
545.27551	20.4
563.28424	1.7
590.45807	1.4
593.18042	2.1
607.27118	2.3
625.29108	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	625.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67493	0.7
51.81891	0.6
53.03929	0.8
53.72836	0.7
55.01855	1.4
55.05502	7.5
57.03428	1.7
57.07056	1.0
61.93152	0.7
67.05484	10.6
69.03418	8.0
69.07059	5.0
71.04997	1.8
79.05473	4.1
81.03419	8.1
81.07042	14.2
82.07377	1.0
83.04972	25.4
83.08579	1.1
84.05293	5.2
85.02908	8.6
85.06538	3.8
87.00824	2.0
91.05452	4.3
93.07028	6.1
94.06567	5.7
95.04956	5.7
95.08582	10.7
97.02862	3.5
97.06512	0.9
97.10182	1.4
99.04466	2.1
105.07016	4.8
105.52850	0.8
107.08583	5.8
109.02843	1.9
109.06554	1.0
109.10155	7.1
111.08129	1.0
111.11777	1.4
115.07548	4.4
118.74198	1.1
119.04944	1.4
119.08586	3.8
121.10123	3.4
122.06007	26.3
123.11671	1.9
124.07561	4.1
127.03899	4.4
131.08539	1.3
133.10092	3.8
135.11684	1.1
137.02319	8.7
137.05988	1.1
137.09619	1.0
145.10092	1.4
146.06013	1.4
147.04407	6.6
147.11755	1.4
148.07564	1.3
150.55695	1.1
159.11697	1.5
161.10751	1.2
162.07857	1.6
163.03900	4.3
163.08707	1.1
164.04250	1.3
171.09183	1.3
171.11711	0.9
173.10712	1.2
175.08675	5.9
183.09212	1.5
185.10695	4.4
186.07834	1.5
187.08669	5.0
188.09477	5.4
189.10233	5.3
195.09212	0.9
197.10721	2.2
199.08682	6.8
201.10167	5.8
204.06580	7.5
208.09627	1.0
211.08635	1.4
211.12231	0.9
213.10223	12.0
214.11053	1.3
215.11702	9.0
217.09691	32.4
225.10277	3.5
227.08105	6.6
231.11307	1.3
234.09941	1.0
235.10841	6.7
237.10223	1.6
239.08250	1.0
239.11841	4.9
240.08990	1.4
241.09685	54.1
242.10460	5.3
243.11246	31.4
246.07541	1.8
255.14784	1.5
257.12888	3.9
259.10623	9.1
260.11542	5.6
261.12225	8.2
262.10748	0.9
265.13321	1.2
267.11218	21.5
269.04440	14.9
269.09076	9.1
270.04807	9.0
271.64899	0.9
274.13412	1.2
276.14835	1.7
278.12601	1.9
278.16522	1.4
279.13449	4.2
283.14313	2.2
285.12347	6.0
287.05597	1.0
287.10187	13.4
287.23798	1.2
289.13101	1.5
290.13071	1.5
290.16449	1.1
292.14371	1.9
293.12772	0.9
294.12454	1.1
296.13681	1.2
297.03986	4.2
298.04373	3.3
299.87848	0.9
304.14505	2.1
304.18167	3.8
305.24719	4.1
306.15994	7.1
307.16733	1.5
308.14188	1.5
308.17673	0.9
309.14578	1.8
310.15567	3.5
313.11826	2.2
315.14868	1.1
317.12164	1.3
317.15540	1.6
318.15988	3.4
319.16986	9.2
320.13974	8.7
320.17606	7.7
322.15610	1.9
323.25778	4.4
332.17465	6.2
333.14636	2.2
333.18365	2.1
334.15411	6.3
336.16946	9.1
337.15054	1.9
338.14981	15.6
346.15323	3.4
346.19211	2.2
348.13379	1.3
348.17221	1.1
352.16440	1.2
354.18057	1.5
356.15994	10.5
358.19269	1.1
360.17023	7.0
361.18005	2.1
362.14883	35.6
362.19009	1.7
364.16483	26.0
376.20114	1.3
378.17926	10.0
379.18686	11.8
380.15973	35.2
382.17538	58.6
386.18594	1.4
388.16522	20.9
390.14175	2.1
396.18875	1.0
400.18622	100.0
404.19647	7.4
405.20413	11.5
406.17538	51.5
408.15195	8.0
422.20740	6.4
423.21515	2.0
424.18698	12.3
426.16345	16.1
434.16946	5.7
440.21957	6.6
452.13223	1.0
452.18237	13.6
470.19189	94.2
501.24759	3.8
509.25156	1.6
527.26422	4.6
545.27618	23.6
563.28491	1.7
589.26318	1.6
607.27356	2.1
625.19653	1.4
625.28668	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	625.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
54.85801	1.0
54.96638	1.2
55.01877	1.3
55.05499	6.8
57.07038	1.3
67.05485	11.4
69.03415	12.7
69.07048	4.9
71.04993	1.1
79.05478	2.7
81.03397	5.8
81.07037	20.0
83.04967	28.5
84.05289	4.8
85.02881	8.6
85.06522	2.0
87.00790	1.2
91.05463	5.1
93.07029	6.0
94.06551	6.2
95.04932	7.2
95.08578	8.5
97.02831	1.6
97.06511	2.3
105.01821	2.8
105.07030	5.6
107.08584	7.5
109.02810	2.1
109.06490	1.8
109.10148	7.8
113.05977	1.2
115.07559	5.2
119.08559	5.1
121.10148	2.8
122.05999	21.0
123.11703	2.7
124.07550	2.5
127.03869	2.8
131.08594	1.6
133.10089	5.0
136.07593	1.5
137.02325	7.5
137.05949	1.4
144.12172	1.3
145.02878	1.2
145.10168	1.7
147.04378	7.6
147.11655	2.3
161.13214	1.0
162.07893	2.0
163.03900	6.3
163.08595	1.5
172.79973	1.4
175.08635	6.7
175.14601	1.3
185.10733	2.8
186.07855	2.1
187.08669	6.1
188.09418	5.9
189.10214	5.2
199.08658	7.6
200.09471	1.6
201.10323	4.4
203.35391	1.2
204.06537	6.9
213.10150	9.3
215.11765	7.6
217.09702	26.3
225.10222	1.4
227.08113	6.1
231.11250	1.4
234.09930	1.9
235.10736	2.6
237.10207	1.5
239.11810	5.1
241.09676	46.3
243.11227	31.2
257.12866	5.2
258.09955	1.5
259.10709	5.9
260.11597	4.6
261.12247	7.2
267.11246	18.0
269.04459	13.0
269.09143	7.6
270.04730	10.9
276.14987	1.7
278.12634	2.8
279.13461	1.7
285.12369	5.3
287.10129	12.5
290.13196	1.5
291.14563	2.1
292.14429	1.6
297.03955	2.3
298.04190	5.8
303.13538	1.6
304.17899	1.6
305.15228	1.4
305.24695	5.1
306.12387	1.3
306.15839	5.1
308.14066	1.7
309.14676	2.4
310.15512	1.8
318.15997	2.3
319.16678	6.5
320.13873	6.4
320.17584	5.4
322.15326	1.4
323.25696	2.6
331.13000	1.9
332.14023	1.5
332.17575	6.2
333.18515	1.6
334.15509	2.4
336.16998	7.5
337.15082	1.5
338.15247	8.6
341.27032	2.3
346.15326	2.4
350.18259	1.4
354.17969	2.5
356.16028	11.1
360.17038	6.9
361.17673	2.4
362.10822	1.8
362.14963	30.9
364.16507	22.2
378.18054	12.3
379.18906	6.6
380.15921	26.5
382.17526	48.0
388.16452	15.4
400.18600	100.0
404.19733	7.9
405.20526	10.0
406.17532	38.8
408.15631	5.2
416.15549	1.5
422.20450	5.1
423.21457	1.9
424.18692	10.5
426.16367	14.5
434.17276	4.6
440.21634	4.8
452.18027	12.9
460.10086	1.6
470.12506	2.4
470.19150	72.4
501.24643	5.3
527.26147	6.0
545.27466	21.7
563.28210	2.4
607.27600	2.5
625.28149	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	625.1763
Annotation	Isorhamnetin 3-O-rutinoside
Peak:m/z	Relative Intensity
53.00280	0.3
53.03924	1.9
53.52959	0.2
53.55155	0.3
54.67969	0.3
55.01857	2.3
55.05497	1.5
57.03431	3.7
57.03675	0.5
57.07096	0.3
61.02907	1.6
62.18459	0.3
67.05478	1.7
68.99751	0.5
69.03416	6.0
69.07042	1.4
69.83952	0.3
71.04613	0.6
71.04980	12.5
72.36841	0.3
73.02907	0.8
75.04433	0.5
79.05498	1.2
80.78542	0.3
81.03405	5.2
81.07040	3.3
83.04968	3.1
85.02893	26.0
85.06525	0.7
87.00816	6.1
87.04477	0.4
90.73309	0.3
91.05450	1.5
91.36742	0.3
92.02543	0.5
92.04804	0.3
93.03397	0.7
93.07033	2.7
95.04933	2.1
95.08582	2.3
97.02878	7.4
97.06525	0.5
99.04424	1.7
105.01857	4.6
105.07033	1.9
107.08566	0.7
109.02872	5.1
109.06535	0.7
109.10135	1.5
110.09630	0.5
111.04397	0.7
113.06003	1.5
115.05437	0.4
119.04900	0.6
119.08566	1.5
121.02859	0.5
121.10085	0.4
122.03570	0.5
122.05981	0.3
123.11684	0.8
127.03891	8.4
129.01817	0.4
129.05434	1.8
131.08621	0.4
133.06462	0.8
133.10075	0.4
136.07561	0.5
137.02335	2.7
137.05957	12.8
137.06828	0.5
138.06270	2.4
139.03859	0.4
140.79315	0.3
143.08342	0.3
145.04964	2.6
145.10088	0.4
146.03577	0.3
147.07991	0.4
148.93422	0.4
149.06017	0.5
151.03886	0.5
153.01826	7.0
159.02852	0.8
161.05959	0.7
163.03844	1.7
164.07024	1.7
173.13197	0.4
175.07457	2.8
180.06543	3.7
183.02924	0.4
187.07545	1.3
191.08522	0.8
192.08890	0.4
198.07635	0.6
203.08235	0.5
204.06589	0.5
213.03825	0.7
217.09698	0.3
219.08107	1.2
228.04146	0.7
229.04851	3.1
231.04996	2.0
234.10100	0.4
245.04475	1.3
245.09267	0.6
246.05157	1.3
248.07950	0.4
251.10657	2.6
252.10977	0.7
257.04395	3.2
263.10233	2.3
269.04449	0.4
273.03882	1.7
274.04666	4.8
279.10126	1.5
280.10428	0.5
284.02994	0.4
285.03809	4.4
288.06369	0.3
291.10046	0.6
302.04169	14.4
305.24707	0.5
311.12787	2.4
312.13168	0.7
317.06509	100.0
318.06741	0.8
321.12225	0.4
323.12634	0.6
323.25851	0.8
341.26639	0.5
428.39529	0.4
540.37463	0.4
589.26392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08622	1.7
50.50034	1.6
51.58661	1.5
53.03925	3.7
55.01854	9.6
55.05505	25.8
57.03434	3.8
57.07063	12.8
61.02908	5.0
67.05493	33.1
68.99756	3.6
69.03423	28.1
69.07059	41.2
71.04977	4.1
73.02882	3.0
79.05481	34.1
81.03409	26.1
81.06596	3.9
81.07043	90.5
83.04966	3.6
83.08614	17.4
85.02898	48.2
85.06521	2.8
87.00828	18.7
91.05466	22.2
93.07031	79.0
95.04952	4.8
95.08594	100.0
96.08923	2.1
97.02876	26.0
97.06510	3.7
97.10144	20.2
99.04449	9.0
105.01842	13.7
105.07024	33.5
107.04951	2.2
107.08586	56.6
109.02866	21.9
109.06499	8.7
109.10145	57.0
111.08053	3.3
111.11705	2.8
117.07007	3.9
119.08548	23.5
121.10140	46.4
123.08018	3.9
123.11672	23.2
125.09657	2.8
127.03898	23.9
129.01897	2.5
131.08499	6.5
133.10114	44.4
135.11685	32.3
137.13222	4.4
139.11168	7.0
145.04973	8.8
145.10114	4.9
147.04405	2.7
147.11700	21.1
149.13255	44.7
157.10129	2.1
159.02835	11.3
159.11650	12.9
161.13222	12.0
163.03815	2.5
163.14803	16.5
165.12834	5.5
173.13344	2.3
175.14905	3.7
177.16338	4.0
189.16385	3.4
203.17880	3.3
235.16617	2.4
249.18544	2.2
259.24167	20.7
275.23737	2.2
277.25235	13.9
287.23584	9.0
293.24725	16.1
305.24719	84.1
323.25723	58.7
340.05261	2.2
413.26892	3.0
464.58420	2.3
535.28937	3.1
639.31573	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	624.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	2.7
55.01868	4.8
55.05511	31.6
56.31242	2.5
57.03429	5.4
57.07071	10.2
57.44185	2.3
67.05489	34.7
69.03427	26.8
69.07063	46.0
69.92621	2.4
72.16653	2.5
79.05475	27.8
80.40738	2.5
81.03404	19.3
81.07043	100.0
83.04981	4.3
83.08608	16.2
85.02895	45.9
87.00816	19.1
87.84256	3.0
91.05473	26.4
93.07034	77.6
94.07365	3.5
95.04964	16.6
95.08595	88.2
97.02874	14.7
97.06521	18.5
97.10152	16.4
99.04450	4.4
105.01862	12.7
105.07013	34.4
107.08574	61.5
109.02909	14.1
109.06491	3.6
109.10156	67.9
111.08051	5.2
111.11665	3.6
116.29469	2.6
119.08577	33.0
121.10124	53.3
123.11705	25.8
125.09628	6.0
127.03886	19.9
131.08588	4.5
133.10130	26.4
135.08028	3.8
135.11697	30.5
137.05908	4.0
137.13246	4.9
139.11206	3.3
143.08627	3.6
145.10146	10.7
146.02388	19.4
147.11673	24.9
149.13257	51.0
151.11249	3.4
159.02835	3.3
159.11694	6.7
161.09581	3.0
161.13206	15.6
163.03896	5.2
163.14766	13.3
165.12794	4.5
173.13171	6.1
175.14787	4.5
189.16396	5.6
220.78580	3.2
237.01062	2.9
259.24265	6.0
262.04874	4.7
269.22577	4.5
277.25119	12.8
282.61133	2.9
287.23657	17.4
293.24734	16.0
305.24677	97.4
323.25772	38.1
353.08939	3.6
370.57153	2.9
381.08612	4.0
383.10287	4.3
409.08063	4.8
427.09402	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	623.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23008	1.7
53.54367	1.6
59.04985	2.6
66.72564	2.3
68.24208	2.0
91.47028	2.0
92.09351	3.1
101.36765	2.1
137.11777	2.3
171.26195	1.9
282.77063	2.8
623.39050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90145	0.3
53.03938	2.8
55.01854	2.1
55.05504	20.2
55.48105	0.3
55.88240	0.3
56.05816	0.3
57.03420	0.7
59.04978	0.3
61.02903	0.5
63.75281	0.3
67.05489	4.6
68.05849	0.4
69.03419	17.1
69.03805	0.6
69.07048	4.1
70.07390	0.3
71.01314	0.3
71.04983	5.4
73.02884	0.5
73.06532	0.7
79.05473	3.9
80.04972	0.3
81.03404	8.0
81.06593	0.6
81.07038	12.2
82.07350	1.5
83.04966	56.5
83.08602	1.3
84.22460	0.3
85.02896	6.4
85.06532	5.2
87.00812	2.2
87.08079	0.5
91.05465	4.4
92.05776	0.3
93.07021	9.1
94.07342	1.7
95.04941	1.6
95.07998	0.5
95.08579	10.4
96.08907	0.8
97.02871	2.7
97.06515	2.5
97.10141	2.0
98.06071	0.4
99.04447	3.6
99.08054	0.5
100.07617	0.4
101.05992	1.4
103.05451	0.4
105.01854	0.8
105.07020	7.5
106.07319	0.4
107.04896	0.3
107.08570	7.7
108.08926	0.5
109.02867	2.9
109.06508	1.3
109.10140	6.0
111.04401	0.4
111.08049	1.4
111.11669	0.4
113.06006	0.8
115.06773	0.7
115.07549	14.1
117.07020	0.7
119.08549	5.8
120.08067	0.5
120.08879	1.7
121.06473	0.4
121.10110	5.5
122.10435	0.5
123.08070	0.5
123.11703	3.3
124.12046	0.4
125.09595	1.7
127.03912	3.7
129.07001	0.4
131.08577	2.8
133.10104	5.2
134.10432	0.5
135.11670	4.0
136.12029	0.5
137.02295	2.7
137.09605	0.6
137.13210	0.5
139.05411	0.6
139.11176	0.4
145.04938	0.6
145.10115	2.7
147.04396	0.8
147.11658	5.5
148.12013	0.8
149.02295	0.8
149.09669	0.5
149.13235	1.8
150.13591	0.5
151.11111	1.4
157.10075	0.5
159.02831	1.2
159.11662	2.1
161.02313	1.3
161.13191	2.2
163.03841	1.3
163.11163	0.6
163.14821	0.7
165.12698	0.7
169.06435	1.4
173.13177	1.5
175.14627	0.4
177.12656	0.4
177.16356	0.5
185.06038	1.2
187.13235	0.4
187.14777	0.7
189.05556	0.4
191.14215	1.1
195.04419	0.6
197.05965	2.3
201.05432	0.6
201.16435	0.5
203.03392	3.4
205.15956	0.5
209.15326	2.2
210.15681	0.5
213.05460	6.8
215.06993	3.5
223.03860	1.4
223.16934	0.7
227.16354	1.3
231.02864	3.9
241.04929	9.0
243.06531	0.4
245.04359	0.6
251.03340	1.4
257.22516	0.5
259.05872	3.5
269.04391	100.0
270.04849	0.5
273.74213	0.3
285.22070	0.7
287.05469	7.4
291.22958	0.6
297.03882	30.0
303.23175	6.2
304.23477	2.7
311.55087	0.4
315.04953	3.7
321.24237	5.3
322.24347	2.6
327.03455	0.3
339.25208	2.0
340.25537	1.6
357.26270	0.6
358.26627	0.4
431.09698	1.5
441.08005	0.6
446.47668	0.3
459.09116	7.5
477.10486	0.5
489.10223	6.4
557.12878	0.7
574.15295	0.4
615.80310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81698	0.6
56.38124	0.5
57.07082	0.6
57.95653	0.5
65.38752	0.5
67.05492	2.8
71.10496	0.6
74.36051	0.8
79.05482	1.2
81.07052	2.4
92.08576	1.3
93.07007	1.0
95.04972	1.0
100.59341	0.8
108.42353	0.6
114.83828	0.6
118.69335	0.6
157.60892	0.7
271.97702	0.8
313.27505	0.8
331.18607	0.9
348.64633	0.6
534.26147	0.7
623.39069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01861	12.1
55.05510	26.6
55.05740	3.4
57.03428	8.4
57.07063	2.5
61.02935	2.1
62.83084	1.7
67.05495	36.8
68.70871	1.8
69.03420	26.9
69.07059	32.7
71.04974	11.1
73.02889	3.7
79.05487	22.2
81.03408	28.3
81.07042	100.0
83.04959	25.2
83.08599	10.9
85.02901	42.9
85.06547	9.4
87.00831	21.7
91.05470	28.6
92.09273	4.7
93.06483	4.2
93.07029	67.1
95.04939	13.9
95.07998	4.1
95.08585	74.3
97.02877	21.7
97.06479	15.0
97.10158	20.6
98.06844	1.9
99.04433	9.3
99.08082	10.5
105.01863	9.2
105.07011	67.2
107.04934	2.8
107.08586	65.5
109.02850	18.4
109.06512	8.6
109.10143	62.8
111.08071	10.6
113.05959	2.3
115.07564	2.8
117.06998	10.3
119.08566	57.1
121.06460	3.3
121.10133	49.8
123.08068	9.8
123.11681	22.7
125.09610	9.7
127.03883	18.0
127.11210	7.4
131.08554	23.2
133.10109	41.2
135.04398	2.5
135.08011	2.6
135.11673	35.8
137.02348	14.2
137.03334	2.4
137.05962	12.1
137.09621	5.0
139.04137	2.1
139.07541	2.1
139.11142	3.0
142.07707	2.2
143.08525	4.8
143.10675	4.3
145.02786	4.0
145.04901	4.3
145.10091	30.1
147.04327	3.9
147.08034	3.2
147.11665	46.0
149.09566	4.7
149.13261	24.4
151.11122	14.8
157.10103	7.5
159.02840	4.3
159.11664	24.5
161.13251	18.6
163.03813	14.4
163.11198	4.0
163.14780	13.3
165.12723	11.2
167.14275	2.5
173.02292	2.9
173.13208	15.9
175.07571	9.0
175.14810	8.5
177.12714	4.7
177.16386	2.5
185.13269	2.7
187.14809	16.1
189.12778	3.6
191.14288	23.8
195.13724	3.9
201.16331	2.8
204.06544	2.6
205.15869	2.8
209.15349	48.3
217.09549	2.6
219.17436	3.1
227.16335	31.3
257.22342	2.1
259.09549	2.2
260.10025	2.8
261.08624	4.9
267.20898	4.0
269.04382	32.6
275.23633	3.8
285.22186	15.1
291.23184	11.2
297.03879	4.2
303.23135	64.3
321.24161	39.2
339.25281	20.9
357.26340	4.3
444.36905	2.3
459.09232	3.4
477.22205	2.2
643.31744	2.1
653.05402	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01861	8.2
55.05266	2.3
55.05505	36.9
57.03432	4.1
57.07067	3.4
58.48037	2.0
61.02921	2.3
64.33082	1.9
65.03952	1.9
67.05489	32.8
69.03420	27.7
69.07056	34.0
71.04963	9.1
71.26672	1.6
73.02916	3.9
78.35306	1.8
79.05470	27.2
80.40700	2.0
81.03403	18.5
81.07038	100.0
83.04970	45.0
83.08603	9.0
85.02894	29.0
85.06534	9.3
85.31064	2.1
87.00814	16.3
91.05451	25.4
92.08611	3.0
93.07026	64.6
93.07573	3.8
95.04937	10.8
95.08588	73.8
97.02876	11.1
97.06505	13.8
97.10142	16.3
99.04432	4.7
99.08067	2.9
105.01851	4.8
105.07014	62.3
105.07665	3.8
107.08576	53.4
109.02872	15.0
109.06522	8.4
109.10149	39.4
109.87267	1.7
111.04380	2.2
111.08081	7.5
111.11678	3.9
113.05981	7.3
115.07547	7.7
117.07012	12.8
119.08569	49.9
121.06505	2.4
121.10137	39.4
122.06007	7.2
123.04505	1.9
123.08049	8.2
123.11697	28.4
125.09602	8.2
127.03887	12.5
129.06961	2.5
131.08531	17.9
133.10100	37.6
135.11678	31.1
137.02309	8.2
137.05905	2.3
137.09575	11.4
137.13144	2.1
139.11166	7.9
143.08537	3.0
145.04999	4.6
145.10097	22.7
147.11671	42.9
149.09653	4.5
149.13264	11.9
151.11121	4.8
153.93541	1.9
157.10167	4.4
157.12201	2.2
159.11617	22.0
161.02324	2.2
161.13257	14.7
163.03908	9.5
163.11194	4.8
163.14793	4.1
165.12686	3.8
171.11617	2.9
173.13249	9.1
175.14792	10.3
177.12694	3.5
177.16365	3.4
187.13266	2.3
187.14801	10.7
191.14351	3.5
193.15837	2.2
195.13666	2.3
203.03336	2.4
204.08931	2.7
205.09718	9.2
205.15811	2.2
209.15381	8.6
217.09729	7.6
223.16847	10.4
227.08145	2.1
227.16255	2.5
229.09747	8.5
233.15297	2.1
233.17947	2.2
241.04950	2.7
241.09637	3.6
257.22595	2.9
259.10757	18.6
261.08716	8.8
267.21021	2.8
269.04401	64.0
275.23547	3.6
277.21594	3.4
283.10764	10.7
285.22134	10.5
287.05371	2.8
291.23077	13.0
297.03796	15.4
303.23120	61.4
311.10269	3.2
315.04865	2.9
319.17032	6.8
320.13766	2.2
321.24222	45.3
326.14944	16.1
329.11313	2.8
339.25323	17.1
348.17023	2.4
350.14905	11.1
357.26239	9.2
360.17480	3.2
362.14981	3.9
378.18054	3.9
380.16006	12.7
398.17038	40.9
404.15912	19.2
421.19601	2.2
422.16895	4.4
468.17587	39.1
483.22705	2.3
543.25909	12.4
605.26471	7.9
623.27161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65430	1.2
54.82376	1.4
87.04469	1.3
89.06014	2.6
92.08588	2.8
164.86017	1.7
210.46317	1.3
312.07870	1.6
391.19217	2.6
392.20004	3.2
400.16861	1.5
405.20682	7.3
406.21597	6.3
407.22284	17.6
413.17694	1.7
414.18164	2.5
415.19144	5.6
420.22961	1.7
421.24054	12.3
428.20248	1.7
429.20844	12.0
430.22293	1.5
443.22336	11.2
447.17603	2.4
457.24313	3.6
458.24487	7.1
459.21692	10.9
460.22678	1.8
461.19202	2.7
472.22690	5.1
474.20224	1.8
475.21423	5.8
476.21793	3.6
477.22757	3.2
485.23370	19.4
486.24387	3.3
488.22037	2.8
489.22903	1.7
499.21594	2.4
500.21762	2.8
503.24533	9.9
513.22986	2.8
517.26074	6.0
535.27148	8.1
545.25385	90.3
573.25116	17.7
605.27472	82.5
623.28595	100.0
623.37946	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
55.05497	1.9
58.40504	1.8
61.02904	7.6
67.05490	7.6
69.03420	7.4
73.02903	3.5
79.05481	13.1
81.03419	3.7
81.07051	6.8
85.02886	6.8
91.03945	2.8
91.05482	6.3
93.07027	11.4
93.84454	1.7
95.04951	2.7
95.08581	6.8
97.02881	7.8
97.06497	1.5
105.07040	7.2
107.08597	9.9
109.10149	6.8
119.08573	2.4
121.10153	7.1
127.03908	2.6
131.08519	3.1
135.11665	6.4
135.68962	1.9
179.21448	1.5
221.11592	1.7
287.48593	1.6
303.23062	1.9
337.17606	1.5
369.83243	1.9
425.17496	12.7
439.19403	9.4
552.98816	1.8
623.30316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.8
55.05509	62.4
56.41779	4.5
57.07063	8.1
67.05492	66.4
69.07051	22.7
71.08628	5.6
79.05486	60.6
79.05872	8.2
80.31730	4.7
81.03377	9.0
81.06607	5.2
81.07043	100.0
82.07356	7.7
83.04967	10.7
83.08604	39.9
91.05450	45.1
93.07024	54.3
95.04943	49.8
95.08586	37.8
97.10134	31.0
105.07030	41.3
106.07288	6.6
107.04922	9.1
107.08578	26.3
107.35452	5.3
109.10096	11.5
111.04418	12.1
111.08055	7.6
117.06993	20.9
119.08577	43.8
121.06432	12.3
121.10132	12.0
122.24793	5.1
123.08031	7.2
125.09596	25.5
129.07014	8.1
131.08536	21.8
133.10135	9.4
135.08037	8.3
135.11658	21.1
143.02237	6.3
143.08504	5.5
145.10133	25.6
147.08054	6.8
147.11684	10.5
149.09583	7.2
153.08992	6.3
159.11615	6.6
161.13199	7.1
163.11147	10.7
223.13280	9.8
273.18393	11.9
275.19974	8.5
291.19424	53.7
293.21069	34.5
524.40558	6.7
623.38770	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	623.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01869	13.8
57.03429	9.2
60.63656	0.9
61.02917	11.5
61.88591	1.1
64.32878	1.2
67.05472	1.1
68.99778	2.3
69.03066	2.2
69.03420	47.4
69.07041	1.6
71.04982	8.6
73.02918	9.2
79.05473	1.3
79.53996	1.1
81.03404	47.4
81.07021	1.2
83.01345	2.2
83.04978	1.5
85.02895	100.0
87.00817	62.4
87.04450	1.7
91.03914	1.7
94.06572	1.4
95.08630	1.7
95.68340	1.2
96.08109	5.1
97.02875	61.4
97.06509	7.7
99.04439	18.1
103.05372	1.5
104.04974	2.5
105.01853	45.6
108.08081	1.4
109.02874	43.7
117.01872	2.3
120.08102	2.6
122.03661	1.2
122.06040	1.4
122.09629	5.4
123.04422	1.3
124.07575	1.9
127.03897	62.1
129.01820	5.0
129.06966	1.2
132.08075	9.2
134.06001	8.5
135.04395	2.0
136.07651	1.3
137.02347	5.4
137.05951	15.4
145.04968	20.5
148.07584	5.9
151.03896	17.6
152.07053	88.8
153.05569	1.8
157.06496	2.4
159.02849	16.1
160.67894	1.4
161.05919	2.5
163.03894	7.0
164.07057	2.8
166.05013	1.8
166.08588	1.9
168.08116	1.7
175.07484	1.5
176.07030	13.3
178.04971	83.2
182.04486	8.8
186.09084	1.3
189.04070	1.7
189.09032	1.8
191.07045	2.9
192.06570	7.4
194.06290	2.8
194.08105	76.4
196.02414	1.9
196.06023	26.2
196.07567	2.2
201.06604	1.7
202.07370	9.8
203.07005	5.4
213.03902	2.4
215.07027	1.9
216.10201	1.3
217.09882	8.9
218.08261	1.2
224.06982	2.1
231.04919	15.7
233.09183	4.8
240.06709	1.4
242.08133	8.6
244.06020	2.6
249.06015	2.1
257.09293	10.5
258.07605	4.7
259.09689	6.3
260.09381	5.7
261.08652	92.3
262.07062	1.5
268.06018	8.2
285.08716	13.8
286.07059	17.6
287.05521	9.2
288.05658	1.5
304.08215	9.6
313.08102	10.6
331.09229	14.6
347.15582	1.9
357.13321	4.7
366.14545	1.4
375.15509	28.0
386.39996	1.3
386.73605	1.3
390.08109	7.6
398.17081	22.5
408.09094	5.0
468.17780	9.3
563.17535	2.4
570.41852	1.4
605.18225	1.7
623.26874	5.8
649.41425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.4
54.81903	3.7
55.01864	24.8
55.05505	24.0
57.03421	9.1
59.96460	3.9
60.21387	3.4
61.02895	8.4
61.59097	4.4
67.05489	40.3
69.03442	5.2
69.07054	66.2
71.04971	5.9
74.69753	3.8
79.05479	66.8
81.03399	18.9
81.07043	89.6
83.04971	7.1
83.08604	4.5
84.86823	3.9
85.02893	32.8
91.03963	4.5
91.05464	100.0
93.07017	46.8
95.04973	27.7
95.08606	21.8
97.02866	7.8
105.07018	73.2
106.72507	3.8
107.04948	34.4
107.08587	25.2
108.36253	4.2
109.06531	34.4
109.10142	6.6
111.42261	4.7
117.01031	8.0
117.06987	39.5
119.08544	47.9
120.87787	4.4
121.06505	23.1
121.10153	23.7
123.04433	5.7
123.08044	24.1
128.06187	8.2
128.39813	4.6
129.06982	53.1
131.08542	49.6
133.00484	8.2
133.06462	8.9
133.10156	7.1
135.08049	22.3
135.11644	5.1
137.09605	11.0
141.06993	10.9
143.08546	28.3
145.06517	18.5
145.10156	42.0
147.08051	28.9
149.09621	17.8
155.08499	33.9
157.10060	9.8
159.08084	9.9
161.09595	31.5
167.08528	11.3
167.18262	4.4
169.10112	27.3
171.07913	6.7
171.11664	22.0
173.09595	31.8
181.10100	11.1
187.11183	20.0
189.12743	5.2
194.88499	5.1
195.11646	7.6
199.11319	6.6
213.12737	25.8
251.17857	7.1
279.17529	9.1
297.18466	33.4
299.01038	8.1
315.19608	20.1
317.02060	11.1
333.16010	9.7
351.17215	6.0
363.31726	5.3
389.23209	90.6
407.19678	30.5
425.20782	79.9
477.94022	5.2
550.11469	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	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81971	9.1
55.01863	11.1
55.05499	47.0
67.05492	62.0
69.03407	55.7
69.07042	10.6
72.91226	9.4
79.05460	57.2
81.03410	18.5
81.07043	62.5
83.04964	10.6
83.08607	16.2
85.02887	17.4
88.80081	9.1
91.05463	62.7
93.07005	48.3
95.08586	13.7
97.02867	15.7
97.10157	58.0
99.04446	13.2
105.07021	23.0
107.08566	17.9
109.10142	16.2
117.07018	49.3
119.08514	17.7
121.10165	10.7
125.09608	16.4
127.39153	9.0
131.08546	41.6
143.08583	12.9
145.10068	36.3
147.04498	9.8
155.08458	11.1
157.10156	16.0
178.07820	10.6
178.30818	10.3
185.13200	11.1
186.42882	8.8
189.11234	13.6
215.14310	52.6
227.12729	10.9
286.54968	10.2
365.22418	11.3
367.22482	12.0
441.26340	83.5
459.27258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	4.7
55.01858	27.3
55.05498	26.3
56.37284	4.0
56.86208	4.2
57.03424	22.4
57.07050	5.0
59.07071	4.7
59.08852	4.8
63.97214	4.5
67.05499	48.2
69.03413	11.9
69.07056	60.1
71.04964	6.2
74.17024	4.8
79.05475	72.7
81.03390	12.4
81.07038	82.3
83.08585	13.3
85.02884	27.2
91.05470	97.0
93.07041	53.1
95.04942	30.9
95.08589	10.2
97.02853	6.1
97.06529	6.4
103.05444	10.9
105.07021	63.7
107.04942	30.2
107.08562	23.8
109.06503	12.2
109.10123	18.8
111.08092	5.9
117.07011	48.2
119.08564	51.6
121.06498	9.9
121.10149	12.5
123.08018	25.9
125.09617	8.2
129.07011	44.5
131.04942	9.8
131.08524	60.2
132.09023	6.9
133.00479	6.9
133.06454	12.8
133.10080	12.8
135.08031	23.8
137.09595	8.3
141.06978	24.0
143.08533	29.4
145.06427	9.7
145.10110	28.8
147.08031	21.8
149.09589	6.9
151.63722	4.9
153.07120	6.1
154.07710	7.4
155.08499	19.3
157.10124	22.7
159.07980	8.8
161.09630	10.8
165.09093	6.4
167.08539	7.7
169.10085	23.6
171.11653	10.5
173.09570	13.1
181.10091	7.9
187.11115	21.2
195.11848	6.9
209.13182	7.7
213.12724	12.8
215.14395	12.7
241.28857	6.1
297.18463	6.3
302.22064	5.1
371.21906	8.7
389.23099	43.8
391.48416	5.7
407.19669	24.2
425.20877	100.0
442.25967	8.0
459.27200	12.6
460.27350	12.9
462.59802	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	621.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87231	0.6
53.03936	1.4
55.01860	4.3
61.62438	0.6
67.05490	18.8
69.03390	1.3
69.07059	1.1
71.04982	0.7
71.36852	0.7
79.05481	1.5
80.04994	1.4
85.02883	4.8
91.05457	6.6
92.09225	1.3
93.05741	1.3
93.07008	7.9
94.06547	23.1
95.04955	4.3
96.04501	1.5
97.06500	1.5
105.07089	0.9
106.06528	1.3
108.04469	0.9
108.08102	13.6
118.06563	1.1
119.04925	6.6
120.08078	1.1
121.06489	4.7
122.06006	71.9
122.09594	1.5
123.06793	3.0
123.08115	1.3
124.07550	12.1
125.07891	1.8
134.09596	1.0
136.07555	41.7
138.09116	28.9
140.10704	1.0
146.05995	3.0
146.09634	1.0
147.04411	5.9
147.05472	1.2
148.07564	4.7
149.07095	2.7
150.05504	1.6
150.09137	1.9
158.05942	0.8
158.09581	1.0
160.07487	0.9
160.11234	0.9
162.05493	7.6
162.09076	2.7
163.03867	1.7
163.08711	2.8
164.07030	100.0
164.10683	1.8
172.07535	1.5
173.07079	1.8
174.09145	10.7
175.05009	4.6
175.08578	1.5
176.03418	3.9
176.07039	5.9
176.10629	1.3
177.06551	7.8
178.08626	4.6
181.09744	3.7
186.07683	1.3
186.09125	3.6
187.08600	1.6
188.07094	3.4
188.10788	1.0
189.06586	0.9
189.10248	1.3
190.08649	6.7
191.08124	12.8
192.06538	3.6
192.10109	1.2
198.09042	1.1
199.08632	1.3
199.12099	0.9
200.07040	3.7
200.10721	5.2
201.06554	6.7
201.10175	5.0
202.08690	1.2
203.04500	1.3
203.08124	16.6
203.11949	1.1
204.06529	78.8
207.11446	1.0
212.06989	1.4
213.10213	2.9
214.08585	4.4
215.08116	1.2
215.11795	3.2
216.07214	1.0
216.08957	1.3
217.09666	10.4
218.08115	3.2
218.11865	0.9
225.10124	1.1
226.08662	1.4
227.08116	5.1
227.11819	1.5
228.10124	5.0
229.06038	23.8
229.09454	6.5
230.10353	1.3
231.11308	3.4
232.09749	1.3
241.09740	1.4
241.13319	1.2
243.11205	12.7
244.09637	1.7
245.09163	37.8
245.12756	7.9
246.07559	14.0
246.11180	4.2
247.10837	0.9
255.07610	1.0
255.14839	1.2
256.09821	1.5
257.12637	0.8
259.09741	0.9
261.12228	1.2
263.10037	1.0
263.11111	0.9
263.13794	9.4
267.11182	1.1
268.14194	0.8
269.09283	1.7
269.12820	5.2
271.07321	2.9
271.10757	14.1
272.09219	3.3
273.12305	5.4
274.10666	4.4
277.15546	1.0
283.14471	3.2
285.12302	2.9
287.10300	1.4
287.13867	5.1
289.11755	45.7
291.13239	15.0
297.08499	1.4
303.13306	6.4
305.15015	3.4
315.09558	3.1
317.11273	4.3
331.12851	37.3
332.13647	1.4
333.14346	2.8
336.17059	1.5
347.17310	1.1
354.85239	0.8
362.18646	1.1
376.20193	1.2
382.17090	1.5
382.21295	3.0
390.18240	3.2
392.19553	1.4
404.19699	4.4
405.20520	1.0
406.17120	1.1
408.14774	11.5
408.19437	3.8
410.20813	6.8
422.20557	9.0
424.18469	1.6
426.20175	18.3
428.21698	9.5
434.17206	3.8
436.18536	3.6
440.21674	3.2
452.17984	52.8
453.18326	0.8
454.19656	57.1
509.25775	1.0
527.26343	3.3
545.27289	3.5
555.26050	1.8
573.27014	45.9
591.28052	72.1
592.27930	3.0
603.27826	5.2
621.29041	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	621.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47419	1.1
51.65586	0.9
53.03930	1.4
53.52016	1.0
55.01862	6.5
55.05507	2.7
57.03434	1.5
58.69445	1.0
60.11371	1.3
65.03908	1.5
67.05499	21.6
69.03415	8.4
69.07051	10.0
71.04955	1.3
79.05478	3.0
81.03383	4.6
81.07034	5.2
83.04945	1.9
83.08639	1.6
85.02880	7.6
85.06524	2.1
87.00768	1.3
91.05460	7.4
93.05744	1.8
93.07016	11.1
94.06543	25.4
95.04946	7.7
95.08595	5.6
96.04467	1.6
97.02899	5.8
97.06500	22.9
97.10118	1.8
98.03261	1.2
98.06831	4.9
99.04436	1.7
105.07005	2.4
107.08572	1.2
108.04449	1.1
108.08103	13.5
109.06472	1.6
109.10170	1.7
109.93276	1.0
110.06019	1.3
111.04404	4.4
118.06507	1.6
119.04868	8.7
119.08553	2.9
120.08102	2.2
121.06493	2.8
121.10123	1.1
122.06005	79.1
122.09698	1.2
123.06788	2.0
123.08117	1.9
124.03889	1.1
124.07572	12.6
127.03937	2.2
134.05975	1.7
135.04384	2.5
136.07552	43.3
138.09125	28.3
145.02846	2.6
145.09032	1.6
146.06052	1.5
147.04387	5.7
148.07562	2.9
149.07167	2.5
150.05437	2.5
155.22241	1.1
157.10123	1.4
160.07596	1.9
161.02216	1.8
162.05467	11.1
162.09116	2.6
163.03854	23.6
164.04196	10.5
164.07036	100.0
164.10748	2.0
172.07530	2.0
173.02332	5.2
174.09105	10.5
175.05014	7.3
176.03426	2.7
176.07045	5.8
177.06566	8.0
178.08540	1.8
181.09698	2.3
186.09140	2.9
188.07002	2.6
189.10266	1.5
190.08620	5.3
191.08127	8.9
192.06482	2.9
198.09315	1.5
199.08632	1.8
200.07005	1.7
200.10706	5.1
200.76324	1.5
201.06583	7.0
201.10234	2.4
203.04585	1.3
203.08110	17.0
204.06528	78.4
213.10149	1.7
214.08659	2.0
215.07040	7.3
215.11752	5.2
216.07278	2.0
217.09813	8.4
218.07758	1.3
218.12068	1.4
222.55099	1.3
225.10332	2.2
227.08168	6.4
227.11728	1.7
228.10146	7.2
229.06068	22.7
229.09599	10.8
230.10330	1.3
231.11287	1.4
241.09558	2.1
241.13489	1.6
243.07518	1.9
243.11264	13.1
244.09636	5.0
245.09167	36.9
245.12917	5.1
246.07552	19.1
246.11284	5.6
248.08876	1.7
255.11165	2.0
259.09567	14.7
260.09927	11.6
261.12189	1.8
263.13867	8.6
269.12766	5.7
271.07626	1.6
271.10605	13.7
272.09085	2.4
273.12357	6.3
274.10727	5.0
277.10791	2.2
278.10922	2.1
283.14465	2.6
285.12238	2.4
287.13834	5.8
289.11771	48.7
291.13190	14.1
303.13318	7.6
304.14331	1.5
305.14957	2.4
315.09763	2.0
317.11273	2.1
319.22592	1.2
331.12793	54.6
342.76129	1.5
362.18463	2.2
390.18021	2.3
392.19656	2.2
404.19556	7.9
408.15265	7.5
408.20078	9.0
409.17157	1.4
410.20599	7.7
421.14960	2.8
422.15015	7.9
422.20673	8.8
426.20206	17.8
428.21399	8.4
434.17029	1.5
436.18649	2.1
440.16226	1.9
440.21368	3.7
452.17981	59.0
454.19635	50.6
459.31039	1.7
527.26105	1.9
537.86096	1.4
545.27448	5.0
573.26978	55.2
585.27045	1.8
591.27997	72.5
592.28229	4.6
603.27802	6.5
621.28766	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.85743	1.0
71.36163	1.1
93.74189	0.9
115.15455	1.0
131.85495	0.9
134.68298	1.1
154.98236	0.9
185.25403	1.0
388.16867	1.6
389.17554	5.0
402.18939	1.4
403.19244	5.9
404.19897	1.6
405.20560	4.2
417.16940	6.7
417.21481	3.8
419.22263	9.1
430.17325	1.4
431.18231	12.1
432.19064	1.9
433.20367	2.1
445.20047	8.9
446.20682	8.2
447.21567	11.7
459.22141	2.1
473.19583	1.3
474.20657	6.9
475.21109	11.6
487.21234	3.6
491.20178	1.8
501.22864	1.9
505.25861	1.5
519.20264	1.3
527.68671	1.1
533.25397	25.5
561.24884	28.7
589.24396	1.8
593.27393	5.9
621.26978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07873	1.4
60.03752	1.3
67.05486	2.0
79.05507	1.9
81.07058	2.4
84.45225	1.7
86.43564	1.3
91.05434	1.9
119.08559	1.8
128.00023	1.4
275.81036	1.6
389.17584	5.8
402.18472	2.3
403.19101	9.4
404.19711	7.0
405.20541	1.9
417.16986	8.8
417.21536	2.4
419.22275	11.5
431.18658	10.2
432.19128	3.1
445.20309	12.2
446.20862	7.9
447.21777	14.4
459.22324	2.5
461.19604	1.7
474.20117	14.4
475.21265	17.3
487.21176	3.2
501.22723	2.6
505.26218	2.1
533.25427	15.0
561.24823	86.1
621.26947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47800	2.6
55.01862	5.2
55.05501	52.0
57.03428	4.7
57.07065	6.3
65.09206	2.9
67.05495	32.7
69.07047	22.0
71.04981	5.7
71.08595	3.6
79.05476	41.5
81.03393	25.3
81.07042	49.2
83.04964	5.8
83.08610	37.2
91.05466	47.6
93.07018	35.8
95.04975	26.6
95.08588	22.6
95.34376	3.9
97.06508	7.1
97.10129	20.8
97.86496	3.3
105.07011	43.5
107.04958	24.2
107.08568	33.3
109.06512	4.6
109.10152	6.2
117.06996	18.2
119.08546	44.4
121.06502	8.1
121.10141	17.8
125.09602	16.0
131.08557	19.5
133.10107	25.1
135.08037	5.2
135.11673	7.3
143.08585	4.0
145.10077	27.0
147.11652	6.8
149.09584	29.7
155.08662	4.0
159.11633	15.4
163.11119	23.4
163.66547	3.3
169.10149	3.6
223.13281	8.5
224.41904	3.8
239.18147	3.4
257.19028	4.3
275.20044	100.0
293.21085	60.9
299.39001	3.5
512.32324	3.7
514.92096	4.1
621.37762	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	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92571	1.8
53.03942	7.4
53.19018	1.4
55.01863	12.1
55.05503	44.4
57.03438	2.6
57.07061	2.5
67.05494	54.3
69.03388	1.7
69.07061	28.1
71.04966	2.4
71.08606	2.0
72.91360	1.7
79.05475	52.9
81.03407	16.6
81.07039	51.4
83.04969	9.5
83.08611	38.6
85.06545	3.6
91.05460	51.0
91.06001	2.4
93.07033	50.2
95.04950	48.3
95.08584	38.3
97.06512	10.2
97.10151	4.1
105.07021	50.6
107.04942	22.2
107.08569	29.5
109.06521	10.3
109.10155	17.2
111.08096	7.1
117.07006	19.3
119.08570	45.3
121.06513	10.1
121.10127	24.1
123.08057	7.4
125.09615	8.3
129.07011	4.2
130.07744	1.8
131.08543	24.8
133.10106	34.6
135.08064	11.2
135.11691	13.7
137.09622	3.5
143.08568	10.2
145.10110	33.2
147.00754	1.7
147.08058	6.7
147.11693	19.3
149.09601	35.6
149.13153	2.1
151.11151	2.5
152.94432	2.0
155.08582	6.6
157.10133	4.2
159.11647	20.3
161.13283	2.5
163.11162	38.8
169.10123	3.3
171.11714	3.5
173.09700	3.9
173.13257	4.3
175.11165	2.7
177.12753	2.4
179.14342	7.4
183.11638	4.1
185.13158	1.7
187.11226	2.3
189.11140	2.6
196.91385	1.8
197.13242	4.2
205.12270	2.6
223.13249	13.2
229.19568	3.0
233.15234	2.1
239.18008	6.8
247.20425	3.3
256.58618	1.7
257.18976	15.9
270.67068	1.9
275.17010	3.4
275.20023	100.0
277.21399	2.5
291.19501	3.2
293.21075	47.2
482.36319	2.1
631.08362	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	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	15.3
55.05504	49.1
56.14313	7.8
57.07061	39.5
64.34026	10.1
67.05486	91.2
69.07033	15.3
71.08610	11.4
74.08913	8.8
79.05482	100.0
81.03423	18.7
81.07050	90.1
83.04958	11.5
83.08588	44.9
84.77856	8.6
91.05450	68.0
92.09409	20.5
93.07018	88.4
95.04951	21.2
95.08596	34.3
97.10128	42.7
105.07014	54.1
107.08573	53.0
109.10133	15.8
119.08575	46.0
121.10110	35.6
123.08004	10.4
125.09642	14.8
131.08575	41.5
145.10136	19.3
147.11638	21.1
149.09584	19.6
223.13098	15.8
231.17613	11.1
275.20087	19.9
291.19534	44.8
293.21133	14.7
313.27304	20.1
326.56497	11.3
429.74350	11.9
461.36057	47.8
479.36780	42.2
639.68683	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	620.452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46688	1.4
53.00298	1.7
53.03938	7.0
54.89483	1.4
55.01862	9.5
55.05507	58.2
56.34631	1.5
57.07059	3.7
59.04963	1.6
61.92171	1.4
67.05493	49.0
69.03417	2.2
69.07055	18.9
71.04980	7.6
77.42871	1.3
79.05476	47.5
81.03392	22.9
81.07040	51.2
83.04956	13.0
83.08603	48.6
85.02905	2.3
91.05460	42.0
93.07033	41.3
95.04948	95.8
95.08582	32.7
97.06512	10.5
97.10159	11.6
105.07016	47.5
107.04948	23.5
107.08565	37.1
109.06521	10.8
109.10133	15.8
111.04421	3.8
111.08092	4.1
117.07008	16.2
119.08569	41.2
120.91431	1.7
121.06484	11.2
121.10120	25.6
123.08080	6.5
125.09589	6.9
129.07008	8.0
131.08533	23.8
133.10110	25.7
135.08055	9.9
135.11679	9.1
137.09586	2.8
141.06956	2.0
143.08572	3.1
145.06458	3.6
145.10118	30.4
147.08061	7.0
147.11694	13.5
149.09605	44.5
155.08478	6.2
157.10123	3.9
159.11620	17.2
161.09608	3.0
163.11148	56.0
165.12703	2.7
169.10112	3.8
171.11647	6.4
173.09599	11.1
173.13287	8.4
175.11224	3.5
177.12730	3.7
183.11671	3.4
187.11238	3.1
187.14789	2.8
189.11200	14.9
189.12698	2.5
191.10617	3.3
205.12271	2.1
223.13248	39.8
229.19533	2.6
239.17914	7.0
257.18942	14.7
275.17001	3.5
275.20013	100.0
293.21060	93.0
311.22189	1.8
327.34607	2.0
412.81415	2.1
505.39014	2.1
522.38544	2.3
541.39911	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	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	9.6
55.01855	25.8
55.05489	23.6
57.03423	9.2
59.34071	4.1
64.80318	4.9
65.03930	5.6
67.05489	78.0
69.03419	55.0
69.07063	19.2
71.04964	19.6
73.02894	5.9
79.05490	55.6
81.03403	70.7
81.07041	73.4
83.04935	7.5
83.08555	4.8
85.02889	27.0
85.03363	5.5
90.33585	4.3
91.05453	24.5
91.80621	4.8
93.07019	69.3
95.05012	6.7
95.08598	58.7
97.02874	40.6
99.03813	8.0
99.04430	91.1
99.06933	5.5
101.59447	5.4
105.07030	27.1
107.08566	24.8
109.02851	59.1
109.10119	27.1
114.37758	4.6
117.06922	9.4
117.52369	4.5
119.08533	11.6
121.10120	34.1
123.11693	9.4
127.03879	100.0
131.08534	10.0
131.58429	4.5
133.10103	6.8
135.11673	20.7
145.04974	10.8
145.10109	19.0
153.08195	5.5
161.13248	6.6
179.05305	4.8
261.22079	23.8
277.21674	7.5
277.61734	5.3
315.62686	5.3
423.27228	65.8
435.90939	5.4
535.22229	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31698	0.3
55.05495	0.3
64.33762	0.3
67.05457	1.3
69.03375	0.3
69.07008	0.6
69.32249	0.3
72.07816	0.3
81.03378	0.6
81.07016	0.3
85.02881	0.5
91.05428	0.3
92.08712	0.3
93.06943	0.4
97.02815	0.6
97.06467	1.3
105.06982	0.5
107.08621	0.4
116.98985	0.3
119.08533	0.6
122.05937	0.4
124.07531	1.6
127.03886	0.4
136.07542	0.5
163.03816	1.9
185.73999	0.3
186.07785	0.6
197.10683	0.4
199.12207	0.6
211.08647	0.7
213.13936	0.3
225.10175	8.4
226.10982	7.0
239.11714	0.5
241.13322	8.4
244.08421	0.4
259.09668	0.5
259.14377	1.7
263.10233	0.5
269.09143	2.6
270.09933	0.6
271.10873	0.5
278.12842	0.4
284.11526	4.9
285.12280	100.0
286.12521	0.6
304.14319	0.6
310.11798	1.8
318.12332	0.6
319.16788	2.7
322.11807	1.4
332.13913	0.5
334.19110	1.2
336.13312	1.1
346.15533	1.7
347.16299	2.1
348.13123	0.8
349.14209	0.4
362.11230	2.6
362.14703	0.9
362.18573	1.7
363.16235	0.6
364.16400	0.6
376.12851	5.6
377.13470	2.8
378.13666	0.6
378.18127	10.3
380.19629	1.4
390.14264	3.0
391.15268	4.9
404.15750	0.5
406.17538	44.3
407.17886	1.9
408.19107	31.3
419.14563	0.4
426.19965	0.4
436.18750	1.2
451.17279	1.9
452.18088	39.2
453.18463	0.4
474.29822	0.3
482.19135	20.8
513.57117	0.3
589.26398	6.8
619.27533	56.5
620.28082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32562	0.7
54.57085	0.8
55.01862	1.8
55.32660	0.8
56.62703	0.8
60.35628	0.8
65.40036	0.9
67.05499	13.7
69.63012	0.7
79.05471	1.6
81.07029	5.4
85.02905	1.4
85.06546	7.1
91.05499	1.2
92.09265	2.1
94.03683	0.9
94.06544	22.0
95.04909	0.8
107.07305	1.3
108.08083	1.0
109.06492	1.7
117.20497	0.8
121.05239	1.0
122.06014	58.4
122.09642	6.3
122.44316	0.9
123.06755	1.0
123.08108	1.2
124.07576	5.2
127.07526	1.4
134.55101	1.1
136.07565	22.1
138.09131	21.1
148.07576	1.3
160.07507	1.4
162.05457	1.6
172.07547	2.1
174.09143	1.7
175.06406	1.1
176.06953	1.0
177.06548	1.2
186.05424	1.1
188.07066	3.6
189.10373	1.5
190.08630	1.5
199.08626	2.0
200.07138	1.8
200.09232	1.6
201.10205	3.6
203.08073	1.4
203.11803	1.8
212.07210	1.0
212.09232	1.3
213.10245	1.0
215.08208	1.5
215.11728	1.7
216.06548	1.9
218.08202	2.0
225.10150	4.0
227.08101	5.9
229.09705	5.3
230.10841	1.2
231.07455	1.4
231.11237	4.4
239.11728	2.1
241.09700	7.1
242.10487	1.4
243.11169	4.9
244.06015	10.8
244.08292	1.3
245.09041	1.7
245.12840	1.1
246.13519	1.0
247.10806	1.5
253.09642	4.0
255.07544	6.9
255.11229	3.9
256.08368	1.3
257.09177	31.0
257.12906	1.7
258.10001	1.2
259.10666	2.0
261.08621	4.4
267.11124	2.0
269.09119	8.4
269.12582	1.0
270.10028	2.1
271.10727	4.5
275.10358	1.0
283.10693	5.2
284.65588	1.1
285.12180	1.6
287.10281	1.8
295.10815	1.1
297.08911	3.0
299.10223	5.9
301.11853	7.7
302.12561	2.3
303.13309	5.7
309.12228	1.4
311.10178	2.1
313.08316	2.0
313.11810	10.3
315.09595	4.0
317.11404	10.4
317.14856	1.8
327.13275	5.4
329.11264	100.0
330.11896	12.3
331.12793	5.2
362.18579	2.1
366.73199	1.0
421.19992	1.2
422.20456	1.1
432.19531	1.3
450.16162	10.5
450.20538	8.5
452.18167	27.1
468.20883	4.0
498.69901	0.9
510.21930	0.9
543.26428	1.9
552.61902	1.0
571.25360	27.3
572.24841	1.1
589.26501	52.9
619.27661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.1
59.04966	0.2
62.27531	0.1
66.48112	0.1
67.05488	0.7
69.03384	0.3
69.07008	0.4
76.14536	0.1
79.05421	0.1
81.03367	0.2
81.06998	0.4
83.04951	0.1
85.02859	0.2
87.00784	0.1
91.05420	0.4
92.64337	0.1
93.06985	0.3
94.06513	0.4
95.04892	0.4
95.08524	0.1
97.02840	0.2
97.06477	0.7
105.06999	0.1
106.06496	0.1
107.08544	0.2
108.07050	0.1
108.07883	0.1
109.02860	0.1
109.09930	0.1
119.08527	0.3
122.05968	0.9
124.07572	1.1
127.03882	0.1
134.09573	0.1
136.07567	0.6
138.09087	0.4
145.04955	0.1
145.10002	0.1
146.09573	0.1
157.10083	0.1
162.09068	0.4
163.03862	0.8
164.04126	0.1
164.07014	0.2
164.10654	0.4
173.02361	0.1
174.09099	0.2
176.10628	0.2
183.09114	0.3
184.11166	0.1
185.07079	0.2
186.07787	0.6
190.08551	0.1
197.10767	0.6
199.08609	0.1
199.12289	1.0
200.09341	0.1
200.12958	0.1
201.10226	0.1
201.13843	0.1
211.08598	1.1
211.12216	0.3
212.09395	0.4
213.10147	0.1
213.13780	0.2
215.06836	0.3
225.10182	7.9
226.10963	7.4
227.11682	0.4
239.11705	0.6
240.12627	0.1
241.13284	8.2
244.08311	0.5
245.09061	0.5
250.09387	0.1
257.09137	0.2
258.13522	0.1
259.09619	0.6
259.14294	1.5
260.09821	0.1
261.08597	1.4
263.10553	0.5
264.11133	0.1
266.12811	0.2
267.11224	0.4
269.09149	2.1
270.09940	0.9
271.10562	0.4
278.12842	0.2
283.10840	0.3
284.11490	4.4
285.12265	100.0
286.12576	1.4
287.10300	0.1
290.12811	0.4
292.14258	0.2
297.08603	0.4
299.20490	0.1
301.11685	0.7
304.10989	0.1
304.14325	0.6
305.15298	0.2
306.16119	0.1
310.11853	2.0
315.09631	0.1
317.11514	0.1
318.12296	0.8
318.16040	0.8
319.13297	0.1
319.16666	2.0
320.17474	0.3
322.11777	1.4
323.12570	0.4
323.82773	0.1
331.13181	0.2
332.13907	0.7
332.17477	0.1
333.14728	0.4
334.11917	0.5
334.15521	0.1
334.19031	1.1
336.13370	1.6
337.14175	0.2
346.15472	1.3
347.16293	1.5
348.13345	1.1
348.17010	0.4
349.14255	0.6
350.14923	0.8
360.17053	0.1
361.14450	0.4
362.11163	2.3
362.14963	0.8
362.18640	1.1
363.15884	0.7
364.16476	0.9
364.20264	0.3
365.17291	0.2
373.14291	0.1
374.14853	0.2
376.12811	4.6
376.17236	0.2
377.13531	2.3
378.14203	0.3
378.18048	9.5
380.19641	1.3
382.21176	0.5
388.16571	0.4
390.14117	2.5
390.18283	0.5
391.15198	4.6
392.15738	0.8
404.16153	0.6
405.16696	0.2
406.17517	40.9
407.17950	1.4
408.19089	28.1
409.19281	0.7
418.13843	0.1
419.14789	0.2
422.20715	0.2
426.20190	0.6
434.17014	0.4
436.18555	1.1
450.16531	0.9
451.17239	2.0
452.18057	34.8
453.18472	0.6
482.19113	19.9
483.19452	0.4
589.26447	6.1
590.27124	0.1
619.27490	48.5
620.27820	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	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94291	0.3
57.27308	0.3
58.36620	0.3
61.56519	0.3
67.05508	0.5
69.90079	0.3
71.02460	0.4
79.05490	0.7
80.05022	0.5
81.07037	0.7
91.05492	0.4
92.63950	0.4
93.07043	0.6
94.06538	2.2
96.08111	0.4
98.06050	0.6
105.07011	1.7
106.06519	2.1
107.07326	19.2
108.08133	0.6
121.06460	0.4
121.08903	0.5
122.06023	4.8
122.09647	100.0
124.11205	1.8
131.08592	0.4
131.50136	0.3
135.06796	1.4
136.07553	6.5
137.09413	0.4
140.07047	0.5
147.04411	0.6
148.11203	0.7
149.02318	0.4
150.09123	16.9
153.63695	0.4
154.36455	0.3
157.00574	0.4
158.09573	0.4
160.07521	0.7
164.07040	7.5
174.09145	0.4
176.10687	1.9
177.06583	2.6
181.09683	4.6
188.07048	1.4
191.08133	5.5
202.08710	4.9
203.04485	0.5
203.08157	1.9
204.06552	0.7
204.10175	0.8
205.09735	0.5
217.09712	1.4
219.11334	0.7
230.08112	4.4
233.09265	0.6
235.10747	1.5
244.09720	0.5
245.09148	1.5
248.09103	1.5
259.26694	0.4
261.08664	7.1
263.10220	2.1
272.09042	1.3
275.93668	0.4
287.10175	2.1
289.11917	0.4
305.11292	1.5
307.12762	3.6
327.18262	0.4
340.12823	0.6
390.17899	0.8
398.17078	2.6
418.17569	0.7
428.21741	1.3
436.18512	0.8
438.20264	0.8
454.19553	1.5
456.21216	1.7
464.17908	2.0
470.19211	5.4
527.26373	0.6
555.26019	0.9
573.26685	1.5
591.27814	2.9
601.26202	4.5
614.70160	0.5
619.27527	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	619.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76365	0.5
104.81327	0.7
114.85368	0.6
129.01993	0.5
185.04189	21.7
198.90669	0.6
203.05241	50.1
228.26440	0.7
237.60182	0.8
277.08899	88.4
278.09082	0.8
365.10495	100.0
366.10886	0.9
400.98999	0.7
489.00766	0.7
505.54300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
55.05505	0.8
57.07065	3.4
67.05489	1.1
69.03423	8.2
79.05473	0.8
80.18549	0.8
93.60838	0.8
94.06554	4.6
107.07341	1.7
122.06012	7.7
122.09653	17.7
124.07564	1.7
136.07574	1.5
149.02342	17.8
149.22319	0.8
150.09190	3.4
162.09117	1.2
164.07109	1.2
170.08121	1.7
172.07512	1.2
174.09135	1.8
190.08658	4.3
199.08618	1.5
201.10258	1.7
202.08615	1.1
211.12318	1.0
213.10207	2.0
215.11868	4.3
220.09796	1.6
225.10173	1.3
226.10954	0.9
227.11839	1.5
227.15494	1.4
228.12491	1.3
237.10210	1.4
239.11784	1.8
241.09695	1.2
243.11278	10.8
251.11792	0.9
253.09845	1.2
253.13374	1.4
255.14941	5.3
259.10587	1.1
260.11691	1.3
261.08804	1.6
261.12180	6.1
263.12054	1.1
267.11240	1.9
277.14359	1.7
283.14392	12.5
285.12433	1.2
289.13272	1.0
292.14539	1.4
294.12466	1.6
301.15433	11.0
306.16040	1.3
308.13943	3.6
318.16150	2.0
320.17661	1.3
322.15469	1.8
328.14240	0.9
334.15591	1.5
336.17209	4.6
346.15311	2.0
358.19254	1.0
360.17249	1.4
364.16409	10.6
376.20309	5.1
381.16870	4.2
382.17542	27.4
385.17670	1.5
386.18512	1.1
388.16760	1.7
390.17834	1.1
392.16037	2.1
394.17618	3.8
403.19003	1.3
404.19714	11.7
406.17679	2.1
422.20682	19.9
432.19101	1.5
459.20569	5.0
470.19821	1.3
488.22076	1.2
515.23010	3.4
525.24786	3.8
553.24432	5.9
571.25177	3.0
573.27039	1.4
589.26019	1.3
601.26501	8.3
619.27539	100.0
620.28082	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	618.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01864	6.0
55.05505	47.9
57.07068	8.1
62.10141	2.7
67.05502	54.3
68.91966	3.0
69.03413	4.6
69.07050	22.7
71.04942	2.6
73.44893	3.4
79.05477	61.4
81.03367	3.9
81.07037	59.2
83.04962	6.1
83.08592	16.4
83.74554	3.1
85.06534	3.8
87.04454	16.3
91.05460	84.0
93.07021	69.0
95.04942	16.4
95.08579	32.6
97.06571	4.4
97.10169	8.0
105.07020	100.0
107.04923	13.9
107.08579	31.7
109.02793	3.5
109.06461	3.7
109.10152	17.2
117.07008	30.7
119.08560	73.5
121.10133	17.8
125.09648	4.4
128.06180	3.4
129.06998	16.1
131.08534	36.8
133.10112	48.1
135.08005	6.6
135.11681	7.5
143.08556	7.9
145.10098	28.3
147.08083	4.4
147.11650	38.3
155.08585	6.4
157.10133	5.8
159.08046	3.3
159.11650	14.9
161.09619	4.1
161.13278	22.3
163.07481	4.1
163.11206	4.1
169.10124	4.0
171.11642	13.7
175.14798	3.7
185.13235	4.9
187.20331	3.6
189.11299	4.1
193.12221	7.2
231.21027	4.1
241.19476	13.6
259.20505	63.0
279.06689	3.8
289.17975	17.3
291.19409	4.5
307.18875	4.4
317.68878	3.6
329.21323	4.3
485.81613	3.5
565.38318	18.8
583.39838	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	618.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88271	3.4
53.03942	3.6
55.01852	20.0
55.05507	55.4
57.03421	6.9
57.07046	4.2
65.36920	3.7
67.05201	3.3
67.05500	61.0
69.03403	4.3
69.07053	34.4
79.05474	64.8
81.03394	14.6
81.07042	100.0
83.04972	13.8
83.08603	24.1
84.36366	4.1
85.06544	4.8
87.04449	17.5
91.05473	70.8
93.07024	62.4
95.04953	28.3
95.08585	41.5
97.06509	21.1
97.10133	18.4
101.02874	3.3
105.07013	95.4
107.04942	19.8
107.08569	35.2
109.06512	16.0
109.10155	18.7
111.08068	4.7
117.07011	30.8
119.08548	60.8
121.06482	14.4
121.10107	23.6
123.08046	17.3
125.09605	14.8
129.06943	5.4
131.08559	37.9
133.10098	46.2
135.07994	6.8
135.11676	6.6
139.11179	3.7
141.06917	4.2
142.07751	4.9
143.08537	7.2
144.09291	4.7
145.06400	4.4
145.10080	30.2
147.08032	19.0
147.11678	8.4
149.09584	14.4
153.09120	5.6
157.10103	18.2
159.08064	4.1
159.11621	13.8
161.09601	7.1
163.11168	13.8
169.10124	4.2
171.11673	7.2
173.13228	6.0
179.14285	4.1
181.12253	4.1
197.13124	3.8
219.17345	22.8
226.46223	3.9
257.18982	4.5
273.18375	22.0
275.20053	79.0
291.19492	83.0
293.20853	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	618.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01862	19.5
55.05510	64.2
57.03419	4.9
57.07068	9.3
59.48715	3.7
63.72589	3.6
63.86713	4.0
63.99802	4.3
67.05494	85.9
69.07063	31.6
71.04985	5.6
75.49207	4.1
79.05481	59.2
81.03408	31.0
81.07040	100.0
83.04972	17.5
83.08606	59.3
85.06530	5.3
87.04440	23.9
91.05457	73.6
92.08652	15.1
93.07030	77.3
93.43717	4.3
95.04960	62.3
95.08593	48.4
96.08908	4.8
96.34013	4.4
97.06514	7.3
97.10165	8.5
97.82757	5.2
105.07020	90.2
107.04970	28.4
107.08566	50.0
109.10136	43.8
111.08078	8.1
117.07017	24.0
119.08578	52.4
121.06502	22.6
121.10130	27.7
123.08065	5.9
125.09614	6.4
129.06970	9.2
129.41130	4.1
131.08574	25.9
133.10114	79.8
135.08014	5.9
135.11703	20.5
138.15007	4.4
143.08527	7.4
145.10144	40.0
147.11681	10.7
149.09642	39.1
151.11142	21.1
155.08528	4.7
157.10164	6.8
159.11745	10.2
163.11137	48.6
169.10141	6.2
171.11697	7.5
173.13318	6.5
177.12614	5.3
223.13333	10.9
229.19411	5.7
239.17973	10.3
257.18951	11.1
263.01566	4.6
273.18207	6.4
275.20013	99.4
291.19418	19.6
293.21057	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.1
53.03935	9.5
53.08177	1.6
55.01855	10.1
55.05265	3.0
55.05507	62.9
57.03424	3.6
57.07053	3.5
59.05011	1.6
59.53233	1.8
65.20219	2.0
67.05495	54.1
69.03413	3.8
69.07063	30.3
71.04967	3.0
73.35303	1.8
76.31860	1.8
79.05479	54.2
81.03404	16.9
81.07043	52.4
83.04961	10.1
83.08608	43.7
85.06519	3.8
87.04446	11.1
89.81063	1.8
91.05466	54.6
93.07028	47.8
94.07494	2.0
94.57977	1.9
95.04954	52.2
95.08592	30.9
97.06511	12.1
97.10139	12.9
105.07024	46.2
107.04950	26.5
107.08565	28.8
109.06483	11.1
109.10128	14.1
109.39112	2.0
111.08067	8.3
117.06995	16.1
119.08570	31.6
121.06472	10.2
121.10152	17.9
123.08058	8.8
125.09627	11.1
129.06992	7.7
130.13750	2.1
131.08537	25.1
133.10088	25.9
135.08006	8.2
135.11653	8.1
137.09625	4.4
141.06944	3.2
142.07779	2.2
143.08522	4.5
145.10124	36.4
147.08018	10.0
147.11691	13.2
149.09593	33.1
151.11122	3.8
155.08493	7.3
157.10124	3.5
159.11684	15.4
161.09557	2.9
161.13211	3.6
163.11169	39.6
165.12753	3.6
173.09598	4.8
173.13277	2.8
175.11118	3.2
176.28400	1.9
177.12683	2.7
183.11678	4.3
189.11266	2.8
189.12764	2.1
205.12140	2.3
223.13266	23.2
226.89232	2.2
239.17924	4.7
257.18912	12.4
273.18530	7.6
275.20026	63.7
291.19504	100.0
293.21075	59.3
410.35599	2.1
477.40009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.1
53.03927	4.9
55.01872	13.0
55.05508	43.8
57.03424	2.4
57.07053	4.1
67.05492	36.3
69.03411	6.5
69.07056	15.3
71.04984	2.1
73.75127	0.9
79.05475	49.5
79.84605	0.9
81.03390	5.9
81.03800	0.9
81.07042	77.0
83.04968	15.3
83.08605	19.2
85.02898	1.8
85.06527	2.0
87.04444	7.0
91.01639	1.0
91.04884	1.2
91.05459	36.2
93.07025	47.3
95.04384	1.8
95.04945	24.7
95.08594	24.0
97.06494	6.7
97.10146	25.8
99.04477	1.0
105.07014	35.6
107.04932	17.7
107.08580	28.3
109.06493	16.3
109.10141	11.7
111.04447	7.8
111.08060	7.0
116.06255	1.1
117.07008	22.1
119.04896	1.8
119.08565	47.9
121.06495	20.1
121.10129	19.3
123.08032	16.3
125.05998	1.4
125.09612	19.7
128.06195	3.9
129.06946	14.6
130.07764	2.1
131.08546	28.5
133.06476	7.0
133.10114	17.5
135.08054	11.4
135.11708	9.0
135.36525	1.0
137.05864	1.0
137.09598	6.0
139.11188	1.2
141.07030	1.5
142.07771	4.1
143.08556	13.3
144.09352	2.0
145.06487	3.8
145.10106	28.4
147.08052	19.4
147.11699	11.4
149.09619	13.6
149.13258	1.2
151.07521	1.6
153.09100	5.7
153.12721	3.9
155.08521	6.5
156.09406	1.2
157.06534	1.1
157.10114	10.3
159.08017	4.9
159.11642	12.3
161.09605	11.9
161.13226	3.5
163.11150	19.0
165.09093	7.8
169.10123	2.4
171.11617	7.4
173.09595	6.1
173.13245	6.3
175.11176	7.5
177.12651	1.9
179.10641	1.5
181.12222	5.1
183.11708	2.1
185.09502	1.9
185.13240	5.9
187.11179	2.2
187.14806	1.3
189.11163	10.8
189.12737	3.1
191.10699	4.3
191.14357	1.1
193.12198	1.6
195.11743	2.3
197.13284	1.1
199.11259	1.6
199.14714	1.3
201.12700	2.0
203.14284	2.2
207.13705	1.8
213.12769	1.5
213.16391	1.0
219.13712	2.0
221.15346	4.1
223.13231	4.0
227.12730	3.9
227.17935	1.8
245.18907	1.3
249.14830	4.4
253.19948	1.0
255.17361	4.1
257.18964	5.8
273.18411	31.1
275.20001	32.1
287.20004	4.1
291.19501	100.0
292.20160	1.3
293.21078	13.7
309.20511	8.9
315.26334	1.1
352.23920	4.7
390.92535	1.0
445.28979	1.3
538.36511	9.5
565.38617	2.2
583.39624	6.1
601.40845	2.2
618.42792	1.3
638.56989	1.3
648.05518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20808	1.3
53.00274	1.4
53.03936	10.7
55.01867	21.0
55.05505	74.7
57.03440	4.6
57.07058	2.9
59.04974	1.6
66.02432	1.3
67.05492	57.6
69.03430	5.4
69.06446	1.4
69.07054	32.7
71.04977	6.3
72.45500	1.6
79.05474	72.1
81.03414	14.6
81.07039	96.9
83.04958	14.9
83.08601	49.0
85.02953	1.8
85.06528	2.9
87.04444	8.8
88.42017	1.4
91.05462	61.1
92.09474	1.5
93.07022	57.5
95.04948	48.4
95.08592	38.1
97.06511	9.7
97.10146	25.3
105.07014	60.9
105.07729	2.2
107.04944	29.3
107.08582	41.0
109.06524	16.4
109.10143	15.9
111.04466	11.1
111.08056	10.3
115.05421	2.2
116.06202	1.4
117.06996	28.7
119.04890	2.6
119.08556	59.3
121.06482	20.9
121.10129	21.5
123.08043	13.6
125.09615	25.6
128.06183	3.0
129.06955	13.1
130.07719	1.8
131.04956	2.0
131.08540	29.0
133.06508	6.6
133.10089	26.0
135.08028	13.6
135.11661	12.0
137.09592	7.7
138.51814	1.7
139.11143	2.0
141.06973	3.7
142.07710	1.8
143.08525	16.7
145.06447	3.2
145.10100	36.0
147.08029	21.0
147.11699	16.7
149.09589	26.3
149.13225	2.0
151.11148	2.2
153.09053	7.3
153.12773	2.3
155.08511	6.2
157.10028	10.5
159.08055	2.4
159.11687	11.4
161.09578	14.1
161.13161	2.4
163.11145	34.7
164.33565	1.6
165.09102	3.4
165.12715	3.4
169.10114	2.2
171.11700	6.9
173.09608	7.2
173.13254	6.0
175.11194	2.7
177.12778	2.3
181.12151	2.6
183.11676	2.7
185.13274	2.0
187.11076	1.9
189.11159	8.4
189.12706	3.1
191.10649	3.5
195.11784	1.6
197.13205	3.1
205.12086	2.5
213.12668	1.7
223.13232	9.9
227.12816	3.8
229.19470	2.8
235.76233	1.6
239.17870	6.5
245.18997	2.3
249.14766	7.7
255.17329	2.8
257.18866	9.7
273.18466	35.7
275.20007	62.0
290.18756	2.5
291.19495	100.0
293.21118	17.9
309.20496	5.8
334.63641	1.7
354.78275	1.6
455.31305	2.3
565.38568	7.6
583.39368	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.3
55.05509	52.5
57.07067	25.4
63.14429	5.8
67.05488	32.1
69.07050	14.2
76.56503	5.5
79.05474	41.4
80.06240	6.1
81.07051	71.2
81.13703	6.8
83.04958	12.6
83.08602	43.5
87.04446	36.6
91.05462	74.1
93.07036	51.5
95.04952	42.8
95.08566	45.2
97.06516	9.4
105.07012	100.0
107.04942	8.2
107.08591	54.0
109.06499	13.4
109.10143	26.8
111.08088	5.9
115.15447	6.1
117.07018	25.6
118.51451	5.3
119.08569	74.6
121.06490	11.3
121.10129	32.3
123.08043	24.9
128.06244	13.3
129.06967	26.8
131.08565	44.4
133.10117	40.6
135.07970	8.7
137.09569	6.2
139.11191	8.1
142.07716	25.8
143.08510	37.8
145.10139	50.8
146.82481	6.4
147.08014	11.3
147.11659	10.5
149.09595	13.0
155.08629	8.5
155.10707	7.8
156.09300	14.3
157.10126	58.8
158.10828	5.9
159.11612	37.7
161.09666	10.7
163.11125	10.6
167.08546	10.9
168.19797	6.2
169.10072	32.3
169.11462	6.6
171.11644	12.2
173.13135	9.0
175.97766	6.4
181.10242	9.1
183.11742	11.7
185.13167	9.0
194.10782	7.3
195.11656	10.3
197.13237	11.1
209.13234	7.5
211.14706	8.3
221.13371	7.8
559.28314	6.8
618.41980	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05505	25.4
57.07057	16.5
59.04959	2.0
60.78551	2.0
63.03537	2.2
65.03901	2.4
67.05482	15.8
69.03419	4.9
69.07056	4.1
69.59902	2.4
73.68851	2.1
79.05495	18.5
81.07052	25.2
83.04969	4.4
83.08612	20.4
85.06548	5.5
87.04458	36.9
89.06039	3.5
91.05457	24.9
92.09365	11.2
93.07024	38.8
95.04937	22.2
95.08591	17.7
97.06498	4.8
99.04433	2.9
103.05448	2.7
103.49934	2.5
105.06363	4.1
105.07017	100.0
106.07330	4.5
107.07915	4.1
107.08556	29.0
109.06507	10.3
109.10149	5.9
110.50119	2.3
111.08018	2.6
115.05449	2.5
117.07016	10.2
119.08559	42.1
121.06463	12.1
121.10124	16.1
121.85930	2.4
123.08064	9.6
125.09617	2.7
128.06197	5.2
129.06987	9.8
130.07770	3.1
131.08540	24.3
133.10121	16.9
135.08060	11.6
135.11700	3.7
137.09592	3.1
142.07716	11.8
143.08540	24.9
144.09320	3.0
145.10097	41.5
147.08000	14.5
147.11688	3.6
149.09584	5.8
151.07491	2.8
151.11188	2.7
155.08530	10.4
156.09274	4.0
157.10097	29.7
158.10815	3.7
159.08099	3.8
159.11595	17.9
160.08849	4.7
161.09532	3.8
161.13229	2.5
162.46825	2.7
163.11131	5.1
165.09096	19.4
169.10091	13.6
170.10791	3.9
171.11623	9.9
173.09584	3.3
173.13167	3.3
175.11188	5.1
181.10031	4.0
182.10815	3.8
183.11655	10.1
185.13260	2.8
187.11177	2.7
187.14804	2.4
189.12695	3.6
193.10226	2.7
195.11665	5.9
197.13225	11.3
201.12752	3.9
203.14258	3.0
205.33792	3.0
207.13725	5.0
211.14862	3.8
213.12738	4.0
221.15311	19.2
231.13785	3.0
232.16649	2.7
233.15332	4.7
247.16806	3.6
287.20020	21.0
344.35968	2.8
352.23901	35.1
538.36469	44.5
618.41827	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54133	5.9
55.05502	33.0
57.07062	11.5
67.05496	37.9
69.03412	12.2
69.07047	12.3
78.17006	6.0
79.05470	39.8
81.07053	45.5
83.04958	17.1
83.08612	43.4
87.04453	9.6
91.05472	44.3
92.09406	13.2
93.07024	87.1
94.63998	6.7
95.04955	40.1
95.08584	26.7
97.06538	8.1
105.07011	100.0
107.08584	71.3
109.06524	12.7
109.10154	28.1
117.07025	14.0
119.08584	83.6
121.06496	9.4
121.10158	37.0
123.08064	36.7
125.09682	7.9
129.07007	35.3
130.07802	9.9
131.08559	38.2
133.10078	49.3
135.08020	13.3
136.27042	6.8
137.09671	10.0
141.06979	9.0
142.07791	41.1
143.08556	44.9
144.09355	8.3
145.06419	9.6
145.10124	62.0
147.08041	33.9
151.07544	16.1
155.08528	8.9
156.09293	11.0
157.10092	62.2
159.08073	12.7
159.11693	36.9
161.09593	9.9
165.09090	45.8
167.10638	10.8
169.10139	25.6
171.11668	30.1
173.09525	11.3
173.13231	12.9
175.11188	7.7
182.10863	15.0
183.11606	23.8
185.13290	8.1
194.10788	12.2
195.11743	10.7
196.12469	8.6
201.12822	7.0
203.14276	7.1
209.13211	14.6
221.15288	47.9
225.14967	7.4
233.15388	11.5
263.14252	8.8
287.20010	39.4
352.23846	42.8
525.35828	10.0
538.36493	89.9
618.42358	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.05513	46.3
57.07061	32.8
67.05489	30.9
68.06285	5.1
69.03413	12.1
69.07053	22.8
71.04985	6.4
79.05482	45.9
81.03385	7.3
81.07040	48.9
83.04984	10.8
83.08624	51.0
87.04451	57.1
90.26144	6.5
91.05461	45.1
93.07024	69.6
95.04948	44.2
95.08593	36.5
97.06516	10.1
99.04391	7.1
105.07005	100.0
107.08588	61.4
109.06498	10.9
109.10171	14.4
117.07013	28.8
119.08566	84.6
121.06461	7.9
121.10129	38.3
123.08029	13.3
125.09703	6.6
128.25499	6.0
129.07043	22.3
130.07816	6.9
131.08539	58.7
133.10100	29.8
135.08026	12.2
135.11626	6.2
137.09627	8.3
142.07776	10.2
143.08527	39.3
144.09314	21.9
145.06502	7.4
145.10103	75.8
147.08044	36.3
147.11620	9.6
149.09605	24.8
151.07512	7.1
155.08554	10.8
156.09348	23.8
157.10114	60.4
158.08812	5.9
159.08061	7.9
159.11700	29.4
161.09641	9.0
165.09074	21.9
167.08498	6.9
169.10106	26.9
170.10808	6.5
171.11635	26.3
173.09644	5.8
173.13220	9.7
175.11168	24.8
175.59804	5.6
179.08553	6.8
181.09969	5.9
181.12236	6.1
182.10867	9.6
183.11699	24.8
185.13193	8.9
187.11351	7.0
187.14786	6.5
189.12671	9.8
191.10495	7.3
195.11540	10.2
197.13213	10.4
203.14319	11.7
218.88167	5.8
219.11769	7.3
221.13379	8.7
221.15286	43.3
225.14787	12.0
234.16081	9.9
247.16867	9.9
287.19989	37.4
291.19690	8.0
299.20023	7.4
325.21628	8.8
331.08911	6.0
352.23984	60.6
379.52640	6.4
439.75574	5.9
538.36548	92.8
618.42249	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	618.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01867	18.7
55.05512	12.8
56.32523	1.2
57.03428	21.1
60.01719	1.1
60.61378	1.1
61.02909	1.7
65.03884	1.4
67.05492	48.3
67.42039	1.2
69.07025	10.7
71.04984	5.3
79.05478	97.9
81.03397	6.8
81.07042	19.0
83.04972	9.0
83.08597	1.7
85.02897	6.9
85.06544	2.9
91.03931	1.4
91.05462	23.1
93.07024	85.4
95.04946	7.2
95.08589	6.9
96.24749	1.4
97.06524	11.8
97.10152	8.3
105.07014	15.3
107.04987	1.9
107.08576	55.8
109.06552	1.3
109.10160	2.7
117.06964	2.5
119.08573	8.5
121.06522	1.5
121.10130	25.8
122.09645	5.1
125.09618	2.0
129.05489	2.4
129.07027	1.6
131.08542	16.0
133.10167	5.0
133.22606	1.3
135.11665	37.7
144.42511	1.4
145.10132	9.2
149.09604	100.0
150.09071	2.0
163.11198	5.9
167.40471	1.3
181.12280	6.7
184.40123	1.3
223.13281	16.7
255.13206	2.7
255.15872	64.0
403.24759	32.8
416.41620	1.8
421.25870	7.4
475.31931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01868	12.1
55.05504	12.3
56.73468	0.8
57.03431	22.2
58.22156	0.9
61.02914	2.6
64.38667	0.9
65.03933	0.9
67.05495	40.8
69.03413	1.6
69.07047	8.6
70.74983	0.9
71.01356	1.9
71.04974	3.9
73.02892	1.7
73.93991	1.0
79.05474	90.1
81.03410	4.7
81.07046	18.0
83.04958	6.6
83.08575	2.0
84.78129	1.0
85.02889	2.5
85.06531	1.6
89.66491	0.9
91.05459	31.1
93.07026	84.7
95.04934	6.0
95.08581	6.1
97.06501	8.9
97.10143	8.6
99.04379	1.2
105.07017	18.3
107.04958	5.0
107.08580	60.4
109.06499	1.5
109.10135	6.3
111.08087	1.4
117.07025	4.8
119.08571	5.3
121.06476	1.5
121.10122	25.1
129.05470	6.4
129.07010	1.3
131.08546	15.5
133.10144	1.8
135.08008	1.4
135.11670	33.8
145.10117	9.3
149.09601	100.0
150.09076	1.3
163.11171	4.9
181.12158	7.4
185.07899	1.2
223.13216	15.4
255.15858	69.4
311.19925	2.4
403.24731	36.8
421.25681	2.6
452.73233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05504	24.4
56.97721	3.9
57.03419	5.2
57.07062	9.2
58.06588	38.6
59.07367	9.7
60.08138	5.8
63.32067	3.2
67.05499	26.8
69.03411	6.4
69.07045	10.0
79.05471	38.9
81.07032	44.5
83.04968	9.0
83.08621	10.7
87.04460	5.3
90.76345	4.3
91.05443	41.1
93.07014	42.9
95.04964	18.1
95.08598	26.0
97.06528	8.1
99.87613	3.8
104.46621	4.1
105.07021	47.2
107.08573	47.1
109.06516	5.8
109.10145	16.0
115.05498	4.8
117.07018	25.2
119.08537	38.4
121.06547	4.5
121.10126	34.7
123.08051	6.0
125.05956	7.4
129.07018	20.3
131.08569	22.9
133.06491	4.8
133.10123	19.6
135.08075	4.8
142.07765	9.9
143.08565	26.8
144.10210	17.2
145.10130	32.7
147.08069	7.9
149.09605	10.6
155.08583	9.8
156.09308	7.6
157.10109	31.6
159.08058	6.0
159.11690	21.1
161.09586	6.1
162.11261	6.8
163.11174	9.6
165.07047	6.3
167.08646	5.3
167.10657	25.7
168.09409	7.3
169.10201	8.1
171.11699	25.1
181.12172	6.0
182.11006	4.9
183.11690	8.4
185.13211	4.2
193.10361	5.3
195.11646	7.7
197.13274	5.3
209.13283	8.4
214.99608	4.8
221.13162	6.5
221.15269	5.8
236.14906	100.0
237.15245	26.6
360.24268	5.3
378.24698	5.0
461.81790	5.2
475.38269	17.4
497.99490	4.7
515.20880	5.0
616.47754	38.5
617.48767	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
53.70150	1.1
53.82010	1.2
55.01855	10.9
55.05275	1.3
55.05510	24.8
57.03430	1.4
58.40694	1.4
58.50452	1.4
60.39781	1.7
63.69603	1.3
65.03909	2.2
67.05489	22.0
69.03403	2.4
69.07047	8.5
71.04971	3.1
77.10209	1.3
78.40054	1.2
79.05055	2.3
79.05477	50.3
81.02975	1.4
81.03403	9.9
81.07039	100.0
83.04954	9.3
83.08603	13.0
85.00975	1.6
91.05459	23.7
93.07013	22.2
95.04942	22.8
95.08588	11.3
97.10149	15.0
103.05450	1.7
105.07011	17.4
107.04937	7.3
107.08585	15.9
109.06503	26.1
109.10132	5.9
109.41426	1.4
111.04417	7.4
111.08088	2.0
117.06993	22.1
119.08562	31.5
121.06498	10.9
121.10117	7.8
123.08051	7.0
125.09608	9.5
128.06136	1.6
129.06975	3.6
131.08554	11.7
133.06421	1.9
133.10121	7.1
135.08044	9.4
135.11632	2.1
137.09627	1.9
143.08499	7.6
145.10095	12.9
147.08031	15.9
147.11627	1.5
147.49754	1.5
149.09593	5.9
155.08452	2.1
157.10103	2.3
159.11725	2.8
161.09576	10.4
163.11133	9.2
167.08502	1.7
171.11592	2.1
173.13242	1.6
181.10095	2.1
185.13284	2.1
189.11162	3.4
191.10643	1.6
213.12642	2.1
223.13196	2.3
227.12724	1.6
249.14719	6.9
255.17145	1.9
273.18427	26.3
291.19479	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	616.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01880	5.9
55.05510	53.6
57.03431	10.7
57.07058	8.1
59.04997	10.8
67.05492	56.9
69.07048	27.0
71.05000	6.3
79.05475	52.6
81.03394	7.0
81.07039	72.2
83.04930	7.5
83.08588	13.4
85.06529	11.7
89.06015	6.2
91.05461	63.8
93.07017	61.5
95.04937	39.9
95.08588	45.1
97.06504	7.2
105.04587	5.6
105.07021	100.0
107.04947	27.5
107.08550	45.9
109.06500	10.9
109.10130	7.9
111.08034	10.6
117.06983	26.0
119.08571	85.7
121.06500	11.1
121.10114	44.1
123.08044	11.4
129.06996	7.6
130.07753	9.8
131.08545	52.4
133.10126	36.7
135.08022	9.5
135.11679	23.7
137.09561	5.9
141.07005	10.0
142.07716	12.5
143.08553	24.9
145.06441	6.8
145.10133	44.3
149.09552	12.0
155.08556	6.0
157.10088	43.7
159.11697	23.5
163.11122	22.2
169.10092	22.9
171.11598	10.9
173.09637	5.8
173.13266	26.6
175.11177	9.1
175.14760	7.3
181.10002	7.0
183.11650	10.0
189.12733	9.3
193.10042	7.4
195.11824	5.6
197.13289	8.4
201.12697	11.1
215.14462	6.8
249.18454	9.6
275.19916	51.2
279.38644	5.7
289.17899	13.4
293.21011	21.9
315.23096	8.8
407.29410	28.2
615.47076	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	616.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05499	5.9
57.03430	6.2
57.07063	5.7
58.06306	1.4
58.06593	40.2
59.07375	14.7
60.08153	8.6
67.05487	4.4
67.89563	0.9
69.07069	1.7
71.08609	4.8
75.04478	2.0
79.05496	1.6
81.07036	5.8
83.08607	1.6
84.08134	1.1
85.02907	1.8
85.10190	1.2
87.04441	3.5
89.06030	2.1
91.05454	1.5
93.07044	1.8
95.08589	2.0
97.10174	1.6
105.07011	1.5
109.10183	1.3
110.61744	1.0
113.05980	1.1
114.82453	0.8
116.00126	0.8
117.19781	0.8
127.49875	0.9
131.07060	1.1
131.08527	1.0
143.08704	1.0
144.10187	14.2
145.10127	1.0
162.11269	5.7
211.07552	0.9
218.13855	1.5
236.14886	100.0
360.23703	6.4
378.24792	10.6
390.60239	1.0
456.36813	10.2
474.37814	15.8
616.47766	84.5
617.47937	1.5
618.13446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.4
55.05502	81.6
57.03423	16.0
58.06595	8.8
67.05490	72.7
67.43143	6.5
69.07050	41.0
71.04990	8.8
71.59713	6.5
74.34984	7.1
79.05481	80.3
81.03414	12.3
81.07039	68.3
83.04974	33.5
83.08602	44.9
83.89055	7.0
89.06015	11.6
91.05457	67.1
93.07014	77.0
95.04927	72.1
95.08572	44.8
95.09137	8.3
97.06532	16.2
97.10186	8.8
105.07002	69.5
107.04940	43.1
107.08575	49.4
109.06506	18.5
109.10152	17.6
117.07019	38.4
119.08579	56.7
121.10152	16.3
123.08042	13.8
125.09566	12.8
131.08559	43.0
133.10136	47.8
135.07990	11.7
135.11650	16.4
143.08604	10.1
145.10117	58.3
147.07986	16.1
149.09563	58.7
155.08572	12.8
157.10176	15.3
159.11610	10.9
161.09520	8.6
163.07538	7.8
163.11169	47.3
169.10121	9.5
177.12759	10.9
223.13429	26.8
236.14789	9.5
239.17912	8.8
248.63875	9.2
275.19894	100.0
289.17862	84.3
291.40286	8.6
293.21048	90.0
328.88403	7.7
340.87686	8.1
434.98413	8.2
501.87613	8.8
533.20923	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	616.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35129	5.7
55.01879	9.8
55.05505	68.7
55.10738	5.1
67.05485	46.9
69.07052	36.5
79.05480	53.8
81.07038	49.0
83.04962	12.3
83.08601	38.1
85.06517	5.3
86.07098	5.1
89.05998	7.8
91.05466	59.2
93.07037	44.7
95.04966	27.0
95.08596	10.5
97.06512	8.4
105.07009	58.0
107.04949	33.5
107.08575	36.4
109.06557	5.1
109.10117	20.7
111.08059	9.6
117.06979	11.6
119.08538	39.9
121.06470	7.4
121.10124	10.3
123.08012	9.0
125.09602	8.0
129.07033	7.2
131.08569	24.5
133.10107	40.5
135.08028	9.4
137.61607	5.9
145.10147	25.0
149.09616	35.7
159.11638	7.8
163.11160	44.9
171.11691	9.1
171.48120	5.3
173.09633	6.3
183.11661	8.4
190.70888	5.6
193.12215	8.7
220.47197	5.5
257.18924	14.2
275.20026	100.0
289.17941	36.4
295.59818	7.5
299.86700	5.6
307.18927	11.2
551.32562	6.2
581.38507	9.3
599.39117	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	616.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01854	14.3
55.05503	32.9
57.03414	4.3
57.07063	5.0
57.71872	3.5
59.98861	3.1
60.39592	3.0
67.05489	55.5
69.07052	30.9
71.67706	3.2
74.19453	3.5
74.74539	3.5
79.05468	49.4
81.07037	69.0
83.04966	21.8
83.08598	7.7
86.26544	4.2
91.05466	52.1
93.07021	70.7
95.04942	18.9
95.08590	42.2
97.06523	7.4
98.85249	3.9
105.07024	62.3
107.04929	26.0
107.08598	44.5
109.06518	24.9
109.10135	19.3
111.08087	4.0
117.07018	36.3
119.08536	39.6
121.06473	23.3
121.10129	21.7
123.08061	18.6
129.06955	8.9
131.08537	49.4
133.06459	7.2
133.10130	31.3
135.08073	28.9
135.11659	4.6
137.09595	5.5
143.08513	18.8
145.06458	8.9
145.10100	31.1
147.08070	9.8
147.11658	18.4
149.09627	8.4
149.13261	5.3
155.08536	5.3
157.10114	7.5
159.08058	9.0
159.11668	19.4
161.09586	22.4
163.11131	14.3
168.14429	3.9
169.10114	8.1
171.11588	4.1
173.13196	19.0
175.11166	7.4
179.10568	4.6
193.12233	9.4
239.17973	4.9
243.17331	4.4
247.20670	6.5
257.18979	21.2
275.19998	100.0
289.17941	57.9
293.21106	14.8
307.19025	8.2
545.36316	5.5
563.37012	22.9
581.38129	73.1
599.39124	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.6
55.01861	12.6
56.05022	1.7
57.03421	10.4
61.02903	12.1
61.65395	1.6
65.03913	2.0
68.99765	4.1
69.03419	42.4
70.06529	1.4
71.04973	9.0
73.02892	10.4
81.03400	50.8
82.54562	1.4
85.02892	100.0
87.00315	2.7
87.00809	53.3
88.48243	1.6
91.05460	8.0
97.02872	63.9
99.04448	20.0
102.04649	2.2
103.05443	10.3
105.01855	33.0
107.04921	8.5
108.04451	2.8
109.02865	53.4
111.04417	7.7
117.01814	6.8
117.03342	1.8
119.04911	9.6
121.06483	2.2
122.03666	2.8
124.05170	9.7
127.03891	64.4
127.08640	1.6
129.01822	3.4
130.04100	6.9
131.04903	39.0
133.02837	3.0
135.04413	12.8
137.01331	3.2
137.02325	56.0
137.03377	1.8
137.05954	77.3
144.98158	1.5
145.04939	23.4
147.04373	23.7
149.02379	2.6
149.05957	11.9
150.06752	20.0
152.08284	1.9
159.02919	15.8
159.03989	1.8
161.02254	1.9
161.05969	8.1
162.06761	25.4
163.03847	8.8
163.07495	10.5
165.01810	3.9
168.65097	1.8
177.05399	2.3
179.03357	11.9
179.06982	1.7
180.07672	1.9
181.06482	3.2
191.03423	3.2
197.05954	3.1
209.05960	2.7
213.03925	7.3
231.04918	15.5
242.05721	2.3
270.05026	1.9
271.06067	4.0
283.06018	7.0
285.07507	41.5
297.07477	10.6
303.08734	2.9
315.08588	47.2
333.09671	25.8
527.12268	1.7
563.13940	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	616.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	26.4
55.05505	64.4
57.03905	4.7
60.03838	5.7
61.97820	5.5
67.05494	56.2
69.07060	24.9
74.78517	6.0
76.56246	6.5
78.24233	6.4
79.05477	88.0
81.03362	7.6
81.07024	68.7
83.08606	47.8
89.06001	7.9
91.05455	81.4
93.07012	55.5
95.04935	27.5
95.08592	35.7
104.84238	6.5
105.07017	65.4
107.04929	34.4
107.08563	36.8
109.06489	11.4
109.10145	14.3
117.06969	36.3
119.08542	58.8
121.06490	8.9
121.10120	36.7
122.95114	6.5
131.08595	45.8
133.06441	9.3
133.10132	33.2
135.08063	10.2
143.08534	13.0
145.10103	47.1
147.11630	14.5
149.09590	36.6
159.11697	10.4
163.11111	49.7
234.99681	7.1
239.17906	13.0
257.18842	24.0
275.20010	100.0
289.17938	44.7
307.46985	6.5
563.37042	11.4
581.38037	29.4
599.38892	23.6
616.90723	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	614.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62910	2.7
53.03936	3.0
55.01873	3.5
55.05506	32.9
56.90973	2.4
57.03437	29.8
57.07062	12.3
67.05495	76.1
69.07059	27.5
71.04973	5.4
71.08625	3.0
77.53728	2.9
79.05479	31.6
79.46549	2.6
81.03402	100.0
81.07040	65.4
83.04980	5.1
83.08607	31.7
85.06512	3.5
85.34416	2.6
89.05991	24.3
89.40886	2.7
91.05450	31.9
93.07037	29.5
95.04942	28.1
95.08578	46.5
97.06510	4.3
97.10165	5.7
105.07027	26.1
107.04935	5.5
107.08586	16.2
109.06464	3.9
109.10133	15.4
115.05450	3.5
116.57799	3.1
117.06991	3.2
119.08598	21.3
121.10133	13.5
123.11716	6.8
129.06998	10.8
131.08543	17.1
133.06409	2.9
133.08592	5.2
133.10110	11.9
145.10075	6.1
147.08055	5.3
147.11603	9.8
156.39415	3.1
157.10121	11.0
164.40582	2.9
165.12796	3.4
175.11209	6.5
177.11230	3.5
193.12196	20.3
263.23679	3.6
267.15866	64.8
337.27289	50.9
354.34677	3.3
397.94601	3.2
415.25259	12.5
470.24957	2.9
529.38824	77.5
529.46570	4.1
547.39789	28.2
623.86615	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	614.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00174	1.9
53.00295	2.7
53.39276	1.6
55.05503	3.6
57.07071	67.9
63.72599	1.7
69.07051	8.6
71.08617	50.2
73.06548	3.4
79.04333	2.1
79.05473	3.8
81.07032	2.9
83.08597	2.0
85.10177	30.4
87.04443	9.6
89.06020	100.0
92.02838	2.6
92.08654	3.8
93.07017	2.8
95.08597	3.0
97.10161	3.4
99.11722	3.4
101.70439	2.0
105.07018	4.6
107.07023	2.7
117.09120	2.6
133.08597	43.7
137.05911	2.8
142.43137	1.9
145.10110	2.1
177.11147	18.9
196.88599	2.7
221.13719	2.3
315.28912	5.4
371.22491	4.2
415.25281	10.0
449.32416	3.2
522.24835	2.9
597.45770	28.2
614.48090	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	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53745	10.4
55.85779	9.1
57.07063	53.8
57.49152	9.0
67.05500	16.8
69.07076	11.7
71.08601	17.7
76.04417	9.6
79.05447	15.5
81.03441	13.2
81.07029	18.9
85.10174	15.9
89.06015	58.7
91.05473	19.3
93.07024	28.2
129.06937	20.6
133.06369	13.7
133.08612	24.5
134.35849	13.1
199.11285	18.6
223.75800	15.4
313.27325	100.0
415.25339	18.7
443.64581	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	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98529	2.2
55.01868	6.7
55.05482	3.4
57.03423	12.1
57.07064	40.6
67.05479	15.6
69.07037	4.2
71.08605	19.7
79.05464	15.1
81.03402	23.3
81.07030	14.6
83.08619	5.9
85.10167	15.1
89.06015	19.0
91.05455	3.1
93.07020	7.0
95.08572	17.4
105.07001	18.1
107.04942	14.7
109.10143	6.4
115.05447	3.1
117.06960	4.0
119.08533	4.4
123.11693	3.0
129.06973	13.6
131.04926	4.1
131.08620	2.6
133.06453	27.7
143.08554	3.1
149.09625	4.0
163.98904	3.3
171.07869	3.1
171.11662	4.2
173.09547	4.3
199.11102	5.5
217.12241	15.6
291.15790	13.1
313.27307	100.0
415.25418	5.3
488.97858	3.2
529.38654	11.8
561.40582	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90228	4.5
55.05506	44.2
57.03431	29.4
57.07068	13.2
60.27557	5.3
62.04572	4.8
65.03951	5.1
67.05492	87.0
69.07057	36.9
69.70580	6.2
71.08617	5.9
71.38058	5.0
79.05486	33.4
81.03404	100.0
81.07039	91.8
83.08608	36.3
87.29382	5.5
89.06039	29.5
91.05463	35.9
93.07036	36.8
95.04958	34.6
95.08598	70.0
97.10150	8.9
98.08537	6.1
105.07023	10.7
107.08585	27.3
109.06505	6.4
109.10149	30.6
111.35683	6.6
117.07056	7.1
119.08561	12.2
128.67574	5.6
129.06992	13.3
131.08609	5.7
133.10139	10.9
135.11708	6.7
143.08568	9.5
147.11685	7.4
157.10057	6.0
161.53502	6.0
193.12265	9.3
211.13266	5.8
267.15863	64.5
278.53912	6.6
313.27206	10.9
313.60043	5.9
337.27426	69.7
415.24939	6.5
417.65063	6.7
529.38733	67.9
547.39929	27.9
566.57520	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	614.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81474	1.0
55.05517	5.6
57.03425	2.7
57.07065	11.1
58.06588	4.3
67.05502	8.5
69.07057	6.5
70.06577	20.3
76.47696	1.2
76.55806	1.0
79.05445	1.4
80.88869	1.2
81.07048	10.5
83.08633	1.9
88.07612	28.8
89.98761	1.3
91.05464	1.8
93.07042	1.7
95.04995	1.3
95.08590	7.5
99.44153	1.4
102.09142	20.2
105.07056	1.2
107.08578	2.0
109.10150	2.5
131.04938	1.5
149.02322	75.6
193.04939	84.4
256.26282	45.8
265.94839	1.2
269.04565	2.0
297.03995	2.0
313.07166	2.5
337.27286	19.6
341.06488	18.6
359.07672	6.0
385.09097	71.0
385.13910	2.6
473.96524	1.3
478.11005	1.3
614.33160	100.0
615.32843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09496	1.6
57.03424	7.5
57.07064	10.3
58.06590	41.1
59.07378	12.7
60.08147	12.3
65.88940	1.4
67.05493	8.4
71.08626	2.4
74.57472	1.4
77.18112	1.4
79.05492	2.2
83.08613	1.5
87.04464	2.8
89.06024	11.6
91.05425	1.7
92.08565	2.8
93.07023	1.8
95.04935	2.2
95.08580	18.0
126.97522	1.6
133.08620	3.3
133.10075	1.6
144.10175	16.9
162.11256	3.8
236.12511	3.4
236.14890	100.0
313.27441	2.1
358.22208	3.4
376.23248	9.4
415.25336	2.5
456.36777	8.7
474.37949	21.0
614.46173	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.4
55.05499	21.6
55.89580	4.3
57.03424	11.3
58.89215	4.2
67.05488	35.6
69.03437	5.7
69.07069	10.3
79.05470	33.6
81.07039	24.4
83.04970	6.2
84.48473	5.0
91.05460	23.4
93.07038	10.9
95.08582	9.4
96.05744	7.3
97.06538	7.7
97.10143	7.8
107.04937	10.6
109.06488	7.7
109.10135	9.5
113.02335	5.3
116.04687	6.9
119.08583	11.7
121.10153	6.0
129.05472	18.9
134.84889	5.7
135.90450	5.4
137.09650	7.7
139.03867	21.3
145.10168	8.2
157.08607	7.9
157.10077	4.9
213.13765	5.4
213.21184	5.2
262.22406	5.4
273.18439	8.1
360.47943	5.4
365.22995	8.6
417.20282	100.0
544.96167	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	614.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01867	2.8
55.05499	0.4
56.05023	1.9
56.98598	0.3
57.03421	2.4
61.01691	0.3
61.02905	2.4
66.59001	0.4
67.05472	0.6
68.99779	0.8
69.03069	0.5
69.03420	9.7
71.02222	0.3
71.04971	2.2
73.02891	2.3
81.02934	0.5
81.03400	10.7
81.07036	0.7
83.01319	0.6
84.08126	0.7
84.43443	0.4
85.02894	20.7
87.00323	0.6
87.00819	12.3
87.04396	0.4
91.03935	0.7
91.05470	0.5
94.04156	0.5
95.04965	0.4
97.02878	12.6
98.06050	0.4
99.04457	4.4
103.05413	0.5
105.01850	5.4
106.06614	0.4
109.02872	8.8
109.10109	0.5
111.04446	0.9
115.96111	0.3
117.01819	1.8
117.14973	0.3
119.04932	0.7
122.03650	2.6
127.03897	11.7
127.08641	4.5
129.01826	0.8
129.07040	0.4
131.04900	3.2
135.04323	0.4
137.02325	1.8
137.05962	100.0
138.02742	0.4
138.06291	0.7
141.05545	0.9
141.06609	3.1
145.02768	0.5
145.04938	3.3
151.03888	22.1
151.04959	1.2
151.07545	1.5
157.13307	3.1
159.02861	3.2
160.05214	0.5
161.05951	0.8
163.03851	1.7
163.07503	4.8
164.04187	0.5
169.13347	0.9
175.07494	1.4
177.09004	0.7
179.07011	0.8
181.08594	5.7
187.07541	0.6
203.07013	0.6
205.08620	0.5
209.15329	0.4
213.03934	0.7
227.07063	0.5
229.08618	0.5
231.04875	2.6
246.12277	0.6
256.12094	0.4
271.09665	0.4
281.50668	0.4
288.16983	2.0
289.10666	1.7
304.50488	0.4
305.63370	0.5
331.11728	2.4
366.98965	1.5
392.86816	0.4
393.11777	0.5
403.00665	0.5
427.00693	0.4
503.55206	0.4
516.37256	0.4
579.17322	0.5
614.23834	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	614.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.7
53.03941	8.3
54.17833	0.6
54.40904	0.6
55.01866	8.4
55.22465	0.7
57.03418	3.9
61.02910	3.7
65.03923	1.7
67.01859	2.9
68.99781	4.0
69.03412	21.7
69.45903	0.6
71.01371	0.7
71.04970	1.6
73.02898	7.1
79.05444	1.1
80.47247	0.6
81.03392	25.0
81.07046	0.9
83.04994	1.2
85.02885	45.8
87.00807	21.6
87.01294	1.3
91.03945	1.1
91.05457	1.0
93.03375	4.1
95.04946	8.9
97.02865	21.3
99.04424	11.1
101.02309	0.7
103.05436	1.5
105.01258	0.7
105.01839	7.1
105.03357	5.7
107.04945	1.7
109.02856	18.4
109.06504	1.5
111.04420	45.8
117.01840	3.6
117.03293	1.1
118.04105	0.7
121.02832	5.2
121.06480	1.8
122.03634	4.2
123.04421	7.6
125.02334	1.8
125.05980	5.6
127.03886	49.1
127.04800	1.8
129.01808	3.0
131.04904	1.6
133.02821	30.1
134.03604	4.1
135.04382	9.3
137.02388	7.8
137.05948	100.0
138.06294	7.1
139.03879	67.2
140.04642	3.2
141.05417	1.0
145.02882	1.1
145.04903	5.7
147.04318	1.2
148.05106	1.1
149.02318	17.9
149.05942	7.5
150.03099	3.2
150.06755	1.6
151.03867	7.9
153.05449	7.3
155.03362	30.7
155.04608	1.5
157.04884	1.3
159.02835	10.7
161.02336	1.0
161.05901	1.3
163.03865	27.6
163.05162	1.4
163.07516	1.3
164.04643	9.0
165.01804	0.9
165.05435	6.3
166.02570	27.1
167.03360	36.1
169.05040	1.4
169.06485	1.6
172.05101	0.7
174.08127	0.8
175.03967	1.5
175.07550	1.1
177.01791	24.4
177.05394	10.5
179.03363	4.0
180.04131	8.4
181.04915	29.3
181.06425	1.9
182.05302	1.7
183.04353	1.5
187.07545	3.7
189.05351	1.1
191.03397	3.0
193.04945	2.9
194.05650	3.5
197.05957	3.9
199.07545	1.7
201.05457	3.7
205.04898	6.7
206.05679	1.7
207.02863	1.8
209.04376	21.4
211.03856	3.0
211.07523	0.7
214.06287	1.7
215.07002	4.0
222.03183	1.0
225.03741	8.6
225.05779	1.3
226.06200	13.2
227.06961	5.6
228.04149	0.9
229.04936	0.9
229.08495	1.5
231.04971	1.4
233.07965	9.1
237.05450	5.0
239.07092	1.0
241.04953	1.1
241.06148	1.1
241.08522	17.7
242.05695	4.7
243.06480	20.7
253.04935	5.9
254.05727	3.5
255.06540	1.5
257.04440	3.6
257.07877	6.6
267.06583	1.0
269.08041	17.8
270.05243	1.8
271.05948	35.1
272.06668	13.0
273.07556	1.4
275.09189	5.1
280.07214	1.2
281.04544	2.6
283.06149	0.8
285.07538	7.8
287.09207	1.7
297.07474	1.7
298.04593	1.2
299.05508	1.7
300.09366	1.2
303.08624	19.6
311.09085	1.3
313.06946	5.0
313.10327	1.1
314.11066	1.2
317.10110	1.2
319.10834	1.0
327.08551	1.2
329.10165	3.0
330.10489	1.2
331.08017	54.4
345.09604	3.2
349.09091	99.3
355.08029	6.1
361.09277	1.3
373.09149	13.1
378.29745	0.9
391.10028	5.0
397.09000	2.7
407.12866	0.9
415.10043	4.8
439.09967	5.2
457.11038	1.7
543.11292	1.0
551.17969	0.8
574.47784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.3
55.01857	5.7
57.03420	5.7
61.02913	2.3
64.33139	1.1
67.01855	2.2
68.99772	5.2
69.03423	20.4
71.04975	10.9
73.02901	5.0
79.05473	2.6
81.03398	22.6
81.07030	2.1
85.02422	2.2
85.02895	47.5
85.33652	1.0
87.00808	20.2
91.03946	1.2
92.57098	1.2
93.03374	1.4
94.04154	1.3
95.04934	5.8
95.08613	1.4
97.02864	15.6
98.97573	5.6
99.04436	9.3
103.05453	1.3
105.01855	6.8
105.03368	2.5
107.04944	1.6
109.02885	18.6
111.04429	37.5
116.98626	1.6
117.01868	2.2
117.03362	1.8
121.02853	2.2
122.03625	5.4
123.04399	5.5
125.02326	4.7
125.05957	2.6
127.03894	42.8
131.51439	1.3
133.02821	22.7
134.03671	3.3
134.99678	2.0
135.04395	15.5
135.12291	1.3
136.04755	2.0
137.02327	33.4
137.05959	100.0
138.02663	7.9
139.02849	2.8
139.03873	64.7
140.04671	1.2
141.06586	1.3
145.02858	7.3
145.04965	5.9
146.03175	1.7
149.02347	9.1
149.05977	7.8
150.06812	1.6
151.03905	4.8
153.05449	5.0
155.03398	31.6
157.04958	6.2
159.02849	6.8
161.01228	1.7
163.03870	51.3
164.04240	11.6
165.05487	4.3
166.02606	17.8
167.03368	30.2
173.13330	1.4
175.03944	2.0
177.01807	12.2
177.05408	10.1
179.03339	2.2
180.04152	8.0
181.04921	11.7
187.07495	2.9
191.03357	9.4
193.04941	2.9
194.05798	1.9
205.04941	2.0
207.02684	1.4
209.04358	8.6
209.15240	1.7
215.07013	1.9
219.01802	1.6
225.03815	12.6
226.06189	1.8
227.07008	1.5
241.08521	4.7
242.05635	1.8
243.06517	20.0
253.04828	2.5
257.04321	1.5
257.08063	2.8
269.08044	6.1
271.05960	33.7
272.06616	8.6
275.09216	1.8
283.05429	1.4
285.07486	5.8
287.05460	19.9
288.06088	2.2
303.08609	22.1
313.06973	2.8
331.03894	1.7
331.08081	53.5
349.09116	93.3
355.08051	2.9
361.02209	15.5
362.02628	1.9
373.09235	6.8
379.03381	5.7
397.09314	2.2
439.10068	1.5
462.10849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.46112	2.9
55.05505	30.7
57.03420	7.5
57.07080	4.1
58.32027	3.4
67.05495	76.0
69.07061	30.6
71.22192	4.0
79.05483	39.1
79.53922	3.6
81.07043	71.6
83.08596	8.9
91.05443	36.3
92.09228	4.0
93.07028	61.3
95.08588	73.0
97.10153	4.7
102.04758	4.5
105.07010	50.8
107.08572	32.2
109.10133	28.9
113.25916	4.4
117.06991	19.4
119.08551	37.4
121.10127	19.7
123.11678	5.1
131.08566	20.6
133.10086	27.0
135.11684	19.5
143.08542	7.3
145.10092	18.2
147.11736	15.3
149.13269	6.3
156.85634	4.6
157.10109	8.4
159.11690	21.3
161.13206	6.8
163.14738	5.4
171.11676	7.1
173.13147	6.4
185.13264	4.6
187.14763	4.9
207.28864	4.6
335.25705	17.5
337.27136	4.6
342.42099	4.4
549.01587	4.9
595.46729	20.1
613.48083	100.0
614.48700	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05506	31.0
57.03429	5.3
57.07040	5.6
67.05493	76.0
68.71438	4.1
69.07072	30.9
69.07367	3.2
72.33060	4.0
76.77142	3.8
79.05468	43.6
81.07041	74.3
83.08598	14.6
91.05455	31.6
93.07034	51.4
95.08583	57.0
96.99982	4.2
105.07034	35.9
107.08550	35.4
109.10150	34.3
117.06979	7.9
119.08545	26.6
121.10131	24.8
123.11704	7.0
129.07011	4.1
131.08522	21.9
133.10136	24.2
135.11644	7.3
141.71695	3.6
144.60974	3.7
145.10097	22.5
147.11694	18.0
149.13277	5.6
157.10133	4.7
159.11685	24.5
161.13260	6.6
171.11633	5.0
173.13184	5.8
175.14719	5.7
185.13246	5.7
187.14755	4.5
229.05035	4.1
335.25677	4.4
337.27243	7.5
356.71329	4.6
356.75656	4.3
428.82281	4.0
595.46832	9.6
613.48279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01885	0.2
55.05505	0.9
56.05038	0.5
59.76493	0.2
63.19626	0.2
69.03415	2.7
71.01331	0.3
72.08122	0.8
73.01136	0.4
79.05482	0.6
80.05037	0.2
81.03408	3.8
81.07034	0.5
84.08132	0.6
85.02902	1.1
87.01946	0.4
89.03902	4.7
91.05449	0.3
93.96017	0.2
97.02866	0.6
98.06043	0.4
99.04440	0.6
101.00592	3.6
107.04947	2.9
109.02876	3.3
111.04440	0.6
115.08703	0.6
117.03358	7.7
117.04147	0.4
122.06030	2.3
123.04451	0.3
124.07471	0.3
127.03912	3.7
127.08620	3.3
129.00052	1.2
135.03360	0.5
135.04402	20.7
137.02330	92.0
137.03360	5.2
137.05882	3.0
138.02615	0.7
139.03877	0.3
141.06572	7.7
145.02831	16.6
147.04430	0.3
148.03958	0.4
155.03400	0.6
157.13293	3.0
159.01115	1.5
163.03880	100.0
164.04202	1.1
164.24940	0.2
167.03360	0.5
169.13336	1.8
212.97498	0.3
251.10666	0.3
263.05389	2.1
271.05988	1.1
281.06567	0.6
347.07486	0.5
397.05109	0.3
402.06818	0.5
403.07565	1.2
432.07935	1.8
461.10767	10.0
462.08975	0.6
484.44284	0.3
516.09729	0.4
527.98425	0.3
559.14355	0.3
612.22198	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	612.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38682	0.7
53.03938	5.0
53.81527	0.9
54.23022	0.8
55.01867	9.9
55.05504	1.3
57.03432	5.1
59.87316	0.8
61.02913	5.6
64.17584	1.1
65.03928	1.0
67.05495	1.8
68.99778	5.7
69.03419	19.4
71.04974	4.5
73.02892	7.0
79.05470	5.4
81.03406	18.8
81.07050	4.4
85.02893	55.3
87.00821	25.6
91.05461	34.5
93.07027	20.2
94.04185	1.2
95.01297	1.2
95.04943	8.8
95.08591	4.0
97.02877	24.6
99.04436	7.6
103.03941	10.7
103.05457	28.7
105.01846	10.8
105.03380	1.0
105.04481	1.6
105.07030	12.0
107.04977	1.7
109.02866	18.2
109.06432	1.1
109.10148	2.1
115.05441	12.2
117.01874	1.6
117.07014	6.0
117.67001	1.1
117.87370	1.0
118.00434	1.0
119.04936	18.8
119.08546	2.2
121.06474	18.2
121.10150	1.1
122.03637	6.4
122.06035	1.3
122.35072	1.0
123.04394	1.3
124.05160	1.6
124.07565	1.1
127.03898	18.3
127.08669	2.0
129.01807	7.3
129.06984	1.3
130.04132	3.8
131.04915	35.9
131.05968	1.7
133.02846	1.6
133.06451	7.5
134.07187	1.4
135.04387	1.6
135.08038	2.4
137.02298	5.4
137.05965	100.0
138.09151	1.6
141.06935	6.0
143.04956	7.8
145.04965	8.4
145.06468	8.0
146.03596	1.6
147.02879	2.2
147.04404	19.7
147.08038	12.8
148.05164	1.9
149.05972	33.6
150.06717	3.4
151.03906	10.0
151.07521	10.7
157.06544	1.4
157.13358	2.1
159.02876	8.4
159.04401	13.0
159.08060	1.2
160.05164	16.6
161.05966	17.1
162.06712	12.4
163.03932	6.8
163.07524	38.9
165.07043	1.5
169.06531	9.9
169.07764	1.2
171.02882	2.0
171.04324	2.4
171.07945	1.0
172.05121	1.1
173.06009	2.3
174.61351	0.9
175.07524	38.9
176.04662	9.1
177.05444	9.0
177.08994	1.2
179.07033	3.8
179.08568	2.3
181.06422	1.7
186.06830	1.1
187.07516	14.0
188.04626	2.0
189.03966	11.4
189.05428	2.7
189.08992	1.6
190.07770	1.2
191.07016	86.3
191.08365	4.0
195.08121	1.1
197.05980	10.6
199.07576	1.6
201.09138	5.7
203.07010	18.9
203.43085	0.9
205.08578	9.7
207.08063	6.6
211.07538	2.2
214.06230	1.6
215.07048	8.6
219.08015	6.6
221.05965	1.1
225.05498	1.9
227.06990	1.6
229.08565	17.6
231.04808	1.9
233.08052	28.1
235.07578	1.8
236.08234	1.2
239.07166	1.2
239.10666	5.1
247.07420	2.3
247.09703	1.6
251.10716	1.6
257.08008	18.4
267.04184	1.0
267.10098	4.4
269.08057	1.5
275.09149	12.3
279.10086	14.1
285.11154	4.1
293.10220	1.4
293.20975	1.0
297.11243	1.5
299.12689	9.4
311.12833	9.7
323.12711	3.8
329.13947	1.8
341.13806	1.2
361.09134	4.4
365.13849	1.5
379.10214	27.7
397.11606	1.9
409.11130	1.3
467.11938	1.0
492.94226	1.0
511.15979	1.1
529.16791	1.3
547.17883	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.2
53.03930	4.0
55.01865	2.6
55.05505	35.5
57.03423	14.6
57.07067	11.2
57.40649	2.2
57.96072	2.4
58.48302	2.4
65.03926	2.5
67.05488	100.0
69.07056	25.9
71.04942	2.4
71.08584	2.2
79.05004	3.1
79.05471	78.4
79.05902	4.8
81.07037	96.2
83.08601	10.8
91.05457	76.1
92.89712	2.5
93.07021	91.8
94.50390	2.6
95.04945	12.2
95.08580	61.8
97.10117	3.8
105.07008	79.1
105.07658	4.2
107.08569	44.8
108.00409	3.1
109.06499	4.4
109.10169	19.6
111.08030	3.0
117.06993	26.3
119.08557	58.8
121.10120	32.1
123.11735	6.4
128.06201	3.5
129.07021	18.7
131.08528	47.3
133.10103	39.1
135.11656	17.8
140.10945	2.9
141.06938	2.9
142.07751	3.2
143.08507	20.4
145.10094	36.8
147.11655	30.8
149.13239	5.8
155.08517	9.6
157.10097	27.4
159.11670	26.8
161.13261	14.5
169.10106	13.4
171.11702	18.5
173.13257	11.4
175.14828	3.5
182.34811	2.7
183.11723	13.4
185.13252	14.9
187.14717	3.7
197.13277	10.2
199.14830	12.0
201.16354	4.7
201.53008	2.8
213.16240	3.9
225.16212	2.7
241.19594	5.4
252.20863	2.8
259.20490	24.5
307.73666	2.9
315.22845	3.0
333.24222	12.8
335.25766	23.9
507.47992	3.2
593.45020	10.9
611.37128	3.4
611.46588	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
54.24982	3.5
55.05508	41.3
57.03435	9.7
57.07075	7.4
67.05499	73.1
69.07064	33.3
79.05480	84.5
81.07043	79.6
83.08613	6.6
91.05464	84.0
93.07030	85.2
95.04949	4.6
95.08588	77.1
97.06498	4.1
97.10181	5.0
101.21797	4.0
105.07015	72.7
107.08569	43.1
109.10151	19.6
117.07021	26.3
119.08544	59.8
121.10129	24.7
129.07024	15.8
131.08545	47.6
132.20494	3.9
133.10101	35.3
135.11694	18.6
143.08554	15.8
145.10088	35.4
147.11652	27.0
149.13220	7.0
155.08516	5.8
157.10127	24.8
159.11646	29.9
161.13280	15.7
163.14799	4.8
167.08568	5.0
169.10056	6.7
171.11665	30.5
173.13225	15.5
183.11623	8.0
185.13274	18.4
197.13245	8.7
199.14999	6.0
211.14711	6.3
213.16406	4.2
231.21109	5.1
241.19572	15.4
243.20895	4.4
259.20505	26.6
333.24161	27.1
335.25751	26.2
410.00284	4.2
593.45496	7.3
611.37280	4.9
611.46692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83625	3.7
53.43289	4.1
55.05499	28.8
57.03425	4.7
57.07069	6.6
67.05502	42.6
69.07051	11.3
76.87099	4.3
78.09058	4.2
79.05476	28.2
80.78426	4.5
81.07045	49.1
83.08599	10.5
91.05466	25.3
93.07028	39.5
95.08586	21.0
105.07022	37.5
107.08575	17.0
107.69884	5.1
109.10138	11.7
111.57878	4.5
117.07001	12.3
119.08570	21.4
121.10138	11.9
129.06998	9.8
131.08517	29.9
133.10095	8.5
143.08572	27.1
145.10095	31.3
154.30940	4.9
155.08499	7.1
155.13103	5.2
157.10124	23.1
159.11705	9.6
169.10066	6.8
171.11667	11.1
185.13274	9.1
190.09785	5.5
195.11690	6.1
199.14888	4.7
201.16640	5.4
203.96820	5.1
204.63538	5.1
213.16455	10.1
220.27988	5.5
353.28424	6.2
385.63449	4.7
497.43875	5.6
593.45215	22.3
611.46924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4298
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
52.79650	2.3
57.49130	2.2
67.05504	9.8
76.54617	2.5
79.05449	3.8
79.26271	2.3
81.07057	3.8
81.83495	2.3
84.76655	2.3
91.05476	4.6
93.07036	4.7
95.04986	3.2
95.08607	2.9
101.66543	2.4
105.06999	3.6
133.10052	2.6
143.08551	3.2
159.76038	2.4
165.09735	2.7
173.13202	2.7
272.10834	2.3
278.38943	3.0
394.65561	3.2
483.36099	3.2
593.41522	13.7
611.42560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54094	0.6
55.05506	1.5
57.03403	1.0
60.51933	0.9
67.05492	1.7
67.54182	0.8
69.03426	1.2
69.07068	1.4
71.04999	1.3
78.26105	0.8
79.05462	1.0
80.04979	0.8
81.07028	5.2
85.02901	4.5
88.54252	0.8
91.05462	1.6
93.07011	3.5
95.08589	4.8
97.06525	1.0
105.07006	1.9
107.08583	3.5
109.02876	1.1
109.10133	1.1
111.01851	0.8
115.66234	0.8
119.04876	0.8
121.10127	1.4
122.06018	1.9
123.11686	1.1
125.09637	2.9
129.07013	1.0
133.10130	1.2
135.04437	1.2
136.07574	1.1
137.02332	1.6
137.05966	4.1
145.10066	0.8
147.11751	1.2
151.03844	0.9
151.11168	1.0
157.13362	1.9
163.03915	1.8
163.46223	0.9
166.12273	1.3
196.13332	1.1
200.09360	1.1
201.06627	0.9
202.07347	5.2
214.22136	0.8
215.11760	3.2
215.70270	1.1
217.09656	6.9
227.08057	3.4
228.08913	4.9
233.09247	4.9
235.10760	1.5
243.11209	4.6
259.10663	1.9
261.08655	64.8
271.10764	1.5
287.10211	54.2
306.82297	0.9
336.13367	1.1
349.17917	1.5
350.15024	1.5
364.12766	35.7
364.16534	3.1
364.20105	1.2
366.14371	4.7
378.14102	1.4
378.18317	3.0
380.19748	4.9
390.18307	1.1
392.16019	1.0
394.21390	1.1
398.16974	9.5
408.19107	53.8
424.18689	6.4
438.20142	100.0
456.21182	3.5
575.28595	81.2
576.28851	1.7
593.29437	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	611.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03928	1.6
53.36432	0.2
54.31966	0.2
55.01877	2.0
55.02077	0.2
57.03417	1.4
61.02906	1.4
67.05503	0.3
68.99761	0.3
69.03417	6.3
71.04978	0.6
71.32225	0.2
73.02896	1.4
73.06738	0.2
79.05463	1.4
81.03405	5.4
81.07039	1.1
81.53507	0.3
85.02893	12.6
87.00812	6.6
91.05447	2.4
93.07018	0.6
94.04147	1.3
94.52953	0.3
95.04931	1.6
97.02879	4.6
99.04426	2.0
99.16711	0.3
103.05451	5.8
105.01850	3.4
105.07015	4.1
107.04922	1.6
109.02849	4.4
109.06505	1.0
111.04440	1.1
115.05444	0.6
117.06976	1.1
119.04890	0.5
121.06483	2.9
122.03630	6.4
127.03884	6.1
128.06184	0.6
129.01811	0.5
129.06985	1.4
131.04909	10.4
131.08591	0.4
133.06468	12.4
135.04405	1.1
135.08037	4.8
137.02409	2.8
137.05957	100.0
138.06259	0.4
141.06998	0.3
143.04903	0.6
143.08511	1.8
145.04987	1.3
145.06453	3.8
147.04483	0.4
147.08043	1.0
149.05962	1.4
151.07526	6.7
157.06459	1.7
159.02902	1.2
159.08066	0.5
160.05182	0.5
161.05954	2.6
163.03908	3.6
163.07503	19.4
169.06364	0.6
171.07986	2.8
173.05919	0.3
174.06760	1.6
175.07507	3.2
177.09091	5.0
181.04915	2.2
181.06366	0.7
181.08565	0.4
187.07507	2.4
188.08311	0.4
189.09038	3.5
197.05942	0.5
201.09067	1.2
203.07011	1.1
203.10652	2.8
211.07510	0.3
213.09100	0.4
219.10239	0.5
221.11674	0.7
223.07726	0.3
229.08554	1.1
231.04884	0.3
235.10999	0.6
247.09613	0.5
263.10596	1.4
295.13266	7.0
297.07526	0.4
299.09253	1.9
299.12009	0.3
313.10672	1.3
317.10391	0.6
325.14453	0.3
327.15839	9.3
329.10202	0.6
351.15775	1.9
369.16757	0.5
379.51318	0.3
393.16980	0.5
411.17545	0.5
435.17807	0.5
611.20221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
58.82270	0.9
58.87362	0.8
67.05485	1.5
68.99786	1.2
69.07034	4.9
79.05472	8.9
83.04955	1.0
91.05436	4.4
93.07056	1.4
95.04939	1.1
97.06520	39.5
107.04951	1.4
116.61766	0.9
119.04922	7.6
123.04414	1.8
147.04387	20.4
149.02356	12.5
149.03456	1.5
163.03893	1.1
170.13434	0.9
175.03885	4.2
187.03770	2.1
193.04971	10.4
203.03398	2.1
213.05400	1.8
215.03343	2.3
227.03365	2.3
237.05360	1.2
237.07530	2.4
239.06636	0.9
242.02222	1.7
243.02888	4.2
255.06332	1.1
270.01572	1.8
271.02335	100.0
279.06525	1.3
289.03311	11.8
297.03610	1.4
301.14352	1.7
349.07184	1.9
367.08124	29.5
385.09167	7.2
390.06979	1.1
391.08142	10.9
473.12180	2.2
487.13821	71.9
491.13376	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	611.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40211	0.8
69.03402	1.1
76.16055	0.9
81.03431	1.6
81.07042	1.0
85.02894	4.4
91.66486	0.9
96.18479	0.9
97.02902	1.1
103.05456	6.1
105.56042	0.9
115.05480	1.0
117.06981	1.0
119.04919	1.5
120.09019	0.9
121.06526	1.6
122.03627	1.3
127.03979	1.3
131.04889	14.7
137.02362	0.9
137.05966	23.3
143.08601	1.4
145.04970	0.9
151.03911	1.1
151.07486	8.8
161.06030	1.0
162.06773	2.0
163.03824	1.1
163.07500	27.2
175.07538	4.4
175.74008	1.0
177.09079	100.0
187.07541	2.0
195.10164	4.7
197.06244	1.1
202.74170	1.0
218.61452	1.0
221.11737	12.6
226.93240	1.0
303.04968	1.9
310.27292	1.2
345.17035	1.7
377.83429	1.0
387.98862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
50.08018	0.1
53.03926	0.2
55.01867	0.3
55.05490	0.2
57.03429	2.4
61.02901	0.7
67.05981	0.1
68.99762	0.2
69.03416	1.8
71.01308	0.1
71.04976	11.0
73.02888	0.7
75.04465	0.3
75.12514	0.1
81.03392	0.8
83.04958	0.5
85.02889	14.1
86.03247	0.2
87.04404	0.3
93.03364	0.3
95.04907	0.2
97.02346	0.1
97.02883	1.4
99.04456	0.4
107.04906	0.1
109.02868	0.6
111.00794	1.2
111.04430	0.3
121.02865	1.0
123.04396	0.2
127.03897	1.0
129.05457	1.7
137.02318	3.2
145.04907	0.3
147.06477	0.7
149.02344	0.3
153.01817	3.7
161.05939	0.2
163.03879	0.9
165.01791	2.4
166.02585	0.3
167.55278	0.1
173.05965	0.2
183.02864	1.2
183.04366	0.3
187.03885	0.2
195.02808	0.2
201.05449	1.4
219.06326	0.1
229.04912	4.8
239.03413	0.2
247.05948	0.8
257.04391	3.0
274.04715	1.0
285.03912	1.3
303.04935	100.0
304.05264	1.7
465.10434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75866	0.8
53.03940	2.3
55.01863	6.0
55.05507	2.2
57.03426	2.2
61.02915	2.6
65.03941	2.3
67.05497	6.0
68.99785	1.9
69.03422	13.1
69.07059	2.6
71.04986	2.6
73.02907	1.6
79.05473	5.1
81.03403	18.0
81.07047	9.6
83.04951	1.0
85.02892	25.2
87.00814	12.9
89.03880	1.6
89.39806	1.1
91.05453	5.4
93.07038	4.2
95.04958	9.2
95.08601	2.7
97.02884	13.3
97.06486	1.7
99.04443	6.1
105.01864	5.6
105.03374	1.8
105.07019	1.4
107.04960	4.5
107.08624	1.8
109.02873	11.5
109.10175	1.6
111.04428	22.0
117.01878	1.5
117.07024	1.3
119.04916	2.6
121.02954	1.1
121.06539	1.8
121.10139	2.1
122.03628	1.9
123.04418	6.4
123.11709	1.7
125.02318	2.2
127.03899	18.0
129.01802	1.4
133.02837	8.5
134.03654	4.6
135.04395	7.6
137.02341	9.2
137.05962	100.0
139.03889	34.6
141.07039	1.6
145.02869	1.6
145.04921	2.3
147.04420	6.1
149.02330	9.4
149.05966	5.2
151.03880	14.5
152.04672	11.4
155.03394	12.6
155.04567	1.5
159.02904	6.0
161.02235	1.6
161.05966	1.4
163.03888	21.1
164.04663	8.3
165.01816	1.5
165.05504	2.2
167.03368	33.7
167.04739	1.7
167.07013	57.6
169.05017	1.4
169.06432	1.7
170.27081	1.3
173.05965	1.6
175.03899	2.1
176.04919	1.2
177.05464	15.1
179.03445	2.4
180.04166	10.0
181.04933	4.4
183.04396	1.8
184.05176	1.5
187.07556	2.4
189.05502	4.2
191.03384	8.4
193.04933	2.3
195.06508	34.4
197.05991	2.6
200.04636	1.7
201.05502	5.3
205.04945	4.4
208.07281	1.7
209.04449	7.2
211.03996	1.9
211.05959	2.4
212.04659	1.2
214.06163	1.2
215.07091	1.4
217.04973	7.9
218.05730	1.3
221.04459	1.2
223.05991	15.8
228.04100	1.7
228.09061	1.3
229.04958	2.4
229.08615	2.0
229.94403	1.2
233.08057	21.3
234.04933	1.1
235.10710	2.0
239.05533	1.1
242.05742	4.2
243.06493	19.4
243.11223	1.4
251.05403	1.2
253.04877	6.3
257.04431	1.9
257.08087	6.6
259.05933	1.8
261.08670	15.1
261.12405	1.1
267.06503	2.0
269.11145	2.5
270.05042	1.3
271.05966	31.8
272.06677	7.3
275.09045	4.1
281.04214	2.1
285.07449	6.3
287.10141	15.0
295.06082	1.2
298.04767	1.6
299.05432	2.0
303.08603	19.8
305.95837	1.3
309.07648	3.5
313.06952	7.6
327.08621	4.8
331.08081	67.3
337.07080	2.1
343.08456	1.3
345.09702	5.6
355.08157	4.8
363.10712	21.5
364.12851	13.3
366.14145	1.4
369.09729	5.8
373.09091	9.5
379.08066	2.4
389.06781	1.2
398.16742	1.7
408.19186	19.3
411.10602	2.2
424.18774	1.8
429.11633	1.4
438.20123	34.4
439.10391	2.7
453.11801	1.6
575.28790	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
54.99818	4.1
55.01869	6.8
55.05498	27.1
57.07076	20.8
61.02930	4.4
67.05492	40.5
68.99783	3.7
69.03414	22.1
69.07056	59.0
69.30225	3.2
69.86428	3.5
71.04989	4.8
71.08617	4.9
73.02894	3.7
79.05471	39.6
81.03403	23.5
81.07036	100.0
83.04977	6.8
83.08624	29.3
85.02888	57.7
85.06538	8.2
86.09666	4.6
87.00809	28.8
91.05457	23.8
93.07027	45.5
95.04962	15.2
95.08583	92.4
97.02866	21.2
97.06516	36.7
97.10154	17.1
99.04432	7.6
105.01860	20.2
105.07008	33.1
107.08571	36.8
109.02869	8.8
109.10126	52.0
111.11709	7.1
112.62019	3.5
117.06994	6.3
119.04939	7.4
119.08567	23.7
119.19358	3.8
121.10100	29.8
123.04365	4.0
123.11698	23.3
127.03924	27.5
131.08583	4.7
133.10133	18.1
135.11681	25.0
137.05898	3.6
137.13240	6.6
143.08549	5.5
145.04950	6.2
145.10071	5.8
147.04408	24.2
147.11711	4.9
148.04753	4.0
149.09715	3.6
149.13225	17.9
161.09673	4.4
161.13237	4.3
173.02232	3.5
177.39987	3.9
210.47755	3.5
248.12573	3.6
251.07249	4.0
255.06490	6.3
273.25778	19.1
291.26746	23.5
309.27872	26.5
323.05151	4.3
327.28735	4.0
399.28720	4.7
425.26532	3.8
510.14417	4.0
610.17645	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	611.1606
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.51874	0.3
53.03935	0.2
54.48029	0.2
55.01865	0.3
57.03413	0.5
61.02919	0.6
62.38114	0.3
65.80016	0.3
67.44039	0.3
67.53989	0.3
68.00587	0.3
69.03423	2.6
71.04975	0.3
73.02893	0.5
76.26025	0.3
81.03395	1.4
84.12276	0.3
85.02892	5.9
97.02888	3.2
99.04436	0.4
107.04975	0.3
109.02858	0.6
111.00823	0.4
112.37939	0.3
119.29780	0.3
119.81957	0.3
121.02835	2.8
123.53873	0.3
127.00999	0.3
127.03908	1.2
137.02344	1.4
141.16295	0.3
145.04999	0.4
145.47475	0.3
147.04384	1.4
153.01817	3.7
157.06467	0.5
163.03871	0.4
165.01857	1.6
183.02907	0.7
185.06032	0.4
213.05418	1.8
218.66895	0.4
231.06464	0.7
241.04921	1.4
258.05215	1.5
259.05878	0.4
287.05457	100.0
288.05725	0.6
337.07120	0.3
449.10757	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	610.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.05496	26.4
57.03439	7.6
57.07061	22.1
61.02909	5.5
67.05489	51.6
69.03416	37.7
69.07055	53.1
71.08610	20.7
73.02882	4.7
79.05462	36.8
81.03391	29.4
81.07035	100.0
83.04960	11.5
83.08610	24.8
83.58956	4.3
85.02892	62.2
86.25921	4.8
87.00814	45.1
91.05453	25.0
93.07025	48.8
95.04996	4.1
95.08590	91.5
97.02874	18.4
97.06532	7.6
97.10164	9.5
105.01855	36.7
105.07029	32.5
107.08569	44.3
109.02869	7.9
109.10155	55.2
111.11687	6.7
119.07810	4.3
119.08565	37.9
121.06424	4.3
121.10121	28.5
123.11678	8.6
127.03893	41.0
133.10101	32.1
135.11696	22.2
145.04887	6.3
147.04395	11.5
147.11696	22.1
149.13310	5.8
159.02899	4.9
161.13277	10.1
163.14775	7.3
164.66151	5.0
231.04922	4.7
247.23840	5.3
271.02414	5.6
273.25699	28.7
291.26764	20.5
309.27960	10.8
327.28699	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32545	2.7
50.33129	2.5
53.03939	4.5
55.01868	4.9
55.05507	25.0
56.05913	2.3
57.03421	4.4
57.07066	13.4
61.02919	5.7
67.05493	46.9
69.03404	25.2
69.07061	47.9
71.04971	5.8
71.08627	7.7
79.05472	28.5
81.03408	23.0
81.07036	100.0
83.04976	3.2
83.08609	25.4
85.02885	67.2
85.06522	5.6
87.00818	34.3
91.05453	20.9
93.07019	51.0
95.04951	14.8
95.08586	94.8
97.02885	24.4
97.06522	16.1
97.10130	21.9
98.06867	3.7
99.04412	4.9
105.01874	17.1
105.07025	25.7
107.08574	40.3
107.24700	3.0
109.02882	22.4
109.10146	54.2
111.11686	4.1
119.08553	17.4
121.10155	26.0
123.08051	3.6
123.11699	22.7
127.03887	34.7
133.10072	25.0
135.11690	25.1
137.09583	4.3
137.13226	5.6
139.11201	3.6
145.04968	4.8
145.10258	3.4
147.04391	6.7
147.11649	23.0
148.04752	3.5
149.13252	24.3
151.14697	3.6
161.05971	4.2
161.13303	13.4
163.03891	4.3
163.14792	7.4
165.12715	4.8
165.16327	3.3
174.55597	3.3
175.14708	4.3
189.16367	7.4
189.18033	3.4
203.17995	3.5
204.31273	3.9
230.91318	3.5
273.25735	27.1
279.26904	7.6
291.26801	36.9
301.14227	5.2
309.27878	37.0
323.05624	5.1
327.28894	5.7
367.08069	4.5
566.42279	4.4
610.17773	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05511	22.2
57.03431	4.6
58.02222	2.2
67.05497	38.2
69.07048	22.3
73.04248	2.3
73.90675	2.2
79.05491	30.1
81.03469	2.2
81.07037	46.0
83.08605	10.9
89.42956	2.7
90.57565	2.7
91.05447	29.3
93.07032	29.1
95.04946	5.1
95.08587	35.9
97.10132	3.9
105.07027	26.8
107.08592	21.3
109.10155	10.8
117.06228	2.7
117.07014	15.3
119.08578	26.9
121.10120	16.3
123.07983	3.7
129.06982	23.4
131.08542	20.1
133.10126	16.2
135.11719	4.7
141.06981	10.2
143.08543	21.7
145.10138	24.9
147.11702	4.9
155.08542	19.3
157.10110	21.5
159.11659	14.7
161.13348	3.8
167.08612	3.2
169.10101	21.7
171.11702	14.9
173.13210	4.8
181.10117	11.0
183.11652	17.8
185.13292	5.9
195.11629	12.4
197.13205	12.8
199.14859	3.3
209.13274	4.4
211.14743	6.2
221.13229	2.9
223.14781	3.5
225.16423	4.4
227.17889	3.1
399.20435	2.6
517.40240	5.6
539.36951	3.0
591.44171	5.6
609.45087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
54.81931	0.2
55.01895	0.4
55.05545	0.2
65.03945	0.4
67.05524	0.2
69.03453	1.0
69.07076	0.3
71.01368	0.2
73.46693	0.2
79.08809	0.2
81.03399	3.1
81.07062	0.4
83.05003	0.9
91.05465	7.6
91.05997	0.4
94.72952	0.2
95.08600	0.3
97.02884	0.4
105.06943	0.2
107.01351	0.3
107.08573	0.2
109.02855	3.1
111.04451	0.3
113.05989	0.2
119.04922	26.0
121.02827	0.4
121.10126	0.3
127.03876	2.4
137.02325	87.2
137.03371	5.5
138.02672	0.3
138.09073	0.2
147.04390	100.0
148.04726	0.9
155.03406	0.3
156.09029	0.2
163.03914	0.9
164.07036	0.3
165.05478	0.3
263.05261	1.0
263.09924	0.3
281.06439	0.3
283.05896	0.3
295.05875	0.2
422.48376	0.2
445.11172	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.0
53.03942	1.1
55.01870	1.8
55.05233	1.0
55.05506	24.2
57.03428	5.4
57.07058	3.7
60.10930	0.7
65.03929	0.8
66.15799	0.6
67.05139	1.3
67.05496	37.0
69.07057	19.0
71.08595	0.7
79.05476	25.1
81.07043	34.0
83.08604	11.3
85.06548	1.4
89.73517	0.7
91.05466	21.1
93.07025	24.9
95.04942	5.1
95.08591	31.5
96.45584	0.7
97.06516	3.5
97.10155	4.0
105.07016	23.2
105.07722	0.9
106.27821	0.7
107.04903	0.6
107.08587	17.3
109.06512	1.1
109.10132	12.5
111.08041	0.9
115.05441	1.7
117.06998	13.7
118.29299	0.7
119.08567	18.5
121.10120	10.7
122.83610	0.7
123.08055	1.1
123.11707	1.7
125.09657	1.1
128.06192	2.7
129.06995	16.2
130.07755	0.8
131.08542	21.7
133.10103	17.6
135.08099	0.7
135.11690	4.6
141.06984	8.2
142.07782	4.7
143.08540	21.6
145.10107	22.3
147.11653	6.8
149.09570	0.8
149.13289	3.2
153.06995	1.3
154.07753	2.8
155.08540	20.8
156.09348	3.1
157.10110	20.6
159.11665	12.0
161.13297	3.2
165.07065	2.2
167.08569	8.5
168.09331	3.7
169.10117	27.6
170.10869	0.9
171.11676	19.1
172.12418	0.8
173.13225	8.8
175.14778	2.9
179.08578	4.5
180.09364	1.2
181.10068	16.6
182.10931	1.6
183.11661	26.8
183.13187	1.2
185.13222	14.4
187.14842	3.9
189.16406	2.9
193.10159	4.7
194.10942	1.1
195.11668	14.9
197.13260	17.4
199.14806	7.9
201.16362	0.9
201.98088	0.7
206.10918	0.9
207.11700	5.2
209.13235	12.2
210.14053	1.2
211.14803	12.2
213.16342	5.2
219.11639	1.4
219.17314	0.8
221.13264	4.7
223.14757	8.6
225.16328	7.1
227.17969	3.5
233.13312	2.6
235.14763	5.2
237.16309	5.8
239.18008	5.1
241.19687	1.2
247.14807	1.0
249.16386	3.6
251.17894	4.4
253.19592	1.7
261.16211	0.9
263.17868	1.3
265.19467	3.0
267.21060	1.2
275.17950	1.3
276.37628	0.9
277.19540	1.6
279.17477	0.8
279.20944	0.8
283.20346	1.0
293.22537	0.9
321.22012	2.8
323.20224	1.0
323.23685	2.6
335.23715	1.3
337.25311	1.5
339.23322	1.3
349.25146	0.9
351.26846	4.0
356.83752	0.9
365.28479	2.5
381.27502	0.9
393.31854	1.4
409.30634	1.1
447.32416	1.1
499.39279	0.9
517.40570	14.6
535.41534	6.7
573.43372	3.2
591.44043	20.2
606.80109	0.8
609.45050	100.0
610.45459	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52776	0.6
53.00290	0.9
53.03942	0.8
55.01869	3.3
55.05505	25.9
57.03427	6.5
57.07064	3.6
59.04991	1.0
65.03915	1.3
67.05492	36.2
69.07054	19.2
71.04977	1.1
71.36567	0.5
76.28863	0.6
79.05475	23.3
81.07037	35.8
83.04977	2.6
83.08607	9.9
85.06512	1.3
89.03597	0.6
91.05461	20.9
93.07022	21.6
95.04963	3.0
95.08585	27.7
97.06509	2.4
97.10150	4.7
97.39412	0.6
99.08069	0.8
105.07012	20.3
105.07731	0.7
107.08575	16.3
109.06517	1.4
109.10138	11.0
115.05455	1.3
117.07003	11.6
119.08561	21.4
121.10120	9.1
123.11699	3.0
125.09616	1.2
128.06184	5.6
129.06966	20.4
130.07794	0.8
131.08549	22.1
133.10109	13.7
135.08028	0.9
135.11656	5.5
135.96181	0.6
137.13242	0.7
139.06151	0.7
141.06960	9.5
142.07785	4.8
143.08543	23.6
143.09596	1.1
145.10136	18.3
147.11667	9.1
149.09662	1.2
149.13245	3.5
153.06979	1.2
154.07750	2.8
155.08548	22.4
155.09747	1.1
156.09332	3.5
157.10106	25.5
159.11681	13.6
161.13235	5.8
163.14868	1.1
165.07008	2.9
167.08537	11.3
168.09367	3.6
169.10089	26.9
170.10962	0.7
171.11661	21.1
173.13223	8.5
175.14778	1.5
178.07726	0.7
179.08542	6.2
180.09390	3.0
181.10074	19.8
182.10963	3.3
183.11671	29.6
185.13237	13.2
187.14804	4.8
189.16414	0.9
192.09309	1.2
193.10074	6.8
194.10895	1.5
195.11647	19.0
195.13245	0.9
196.12459	1.2
197.13197	21.7
199.14781	10.1
201.16379	1.6
205.10117	1.5
206.16017	0.8
207.11630	7.3
208.12498	0.9
209.13217	12.5
211.14748	14.9
213.12776	0.8
213.16350	6.8
215.18033	1.4
219.11688	3.5
221.13185	5.8
223.14778	9.5
225.16301	10.7
227.18040	5.1
233.13219	1.5
235.14813	4.1
237.16299	8.4
239.17891	4.0
241.19550	1.6
247.14754	1.5
249.16324	4.0
251.17941	5.2
253.19463	2.6
263.17740	2.5
265.19485	3.8
267.21072	1.1
277.19452	1.0
279.21216	0.8
281.22516	1.0
293.19150	0.9
293.22430	0.8
295.20728	0.9
309.22055	0.9
313.21667	0.9
321.22162	1.5
323.23663	1.7
325.21909	1.2
333.22006	0.8
335.23618	1.3
337.25327	0.9
349.25220	1.2
351.26935	1.5
363.26767	1.2
375.26822	0.8
377.28662	1.1
379.25742	1.0
381.02405	0.7
388.12460	0.7
395.29385	1.0
403.30365	1.1
435.32559	0.9
447.32269	1.0
475.34851	0.9
499.39435	2.9
517.40387	16.3
521.36273	0.9
527.37048	0.7
535.41595	8.8
539.37354	1.5
573.42896	3.5
579.66370	0.8
591.43896	24.8
609.45032	100.0
610.45276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
54.70916	6.1
55.01860	8.4
55.05500	34.8
55.16040	5.4
56.69455	5.4
57.03426	25.4
67.05502	60.3
69.03422	25.0
69.07072	24.8
71.04964	9.5
79.05477	74.6
81.03394	100.0
81.07044	66.8
83.04962	35.7
83.08600	28.3
85.02900	23.3
85.06571	5.3
91.05449	59.2
93.07034	64.7
93.20520	6.0
95.04964	13.2
95.08591	38.4
97.02859	23.0
97.06519	42.8
97.10117	7.6
105.07024	31.9
107.04974	10.2
107.08572	38.6
109.02890	9.6
109.10169	12.3
111.08022	7.6
112.73565	6.3
113.93800	6.1
117.07043	11.2
119.08523	10.4
121.10141	10.1
121.24321	6.9
127.03928	12.7
129.06882	8.5
131.08559	14.8
133.10066	13.5
135.11697	29.0
143.76227	6.2
145.10112	9.6
147.04338	12.3
147.11711	7.9
163.11081	7.5
181.12181	6.9
193.12143	6.6
199.63570	6.9
211.13324	10.6
216.99974	5.9
280.85818	6.5
351.04968	6.8
447.27237	26.6
465.28424	7.7
478.62451	6.5
609.17871	8.6
609.32257	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4124
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
71.84628	1.2
74.41179	1.1
87.61833	1.2
98.35753	1.1
103.24627	1.5
105.07096	1.3
201.19650	1.3
226.17274	1.3
253.70712	1.2
269.08237	1.3
591.39886	18.0
609.41174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62309	0.2
54.12624	0.3
55.01869	0.3
55.05495	0.5
57.03427	0.5
57.95443	0.2
67.05495	0.6
69.03421	1.6
69.07071	0.3
69.65308	0.3
70.06607	0.3
74.16667	0.3
79.05466	0.4
81.03410	0.4
81.07047	1.3
85.02891	0.6
85.49676	0.2
85.54700	0.3
86.09694	0.6
90.50245	0.3
91.05461	0.4
93.06999	0.7
94.06542	0.6
95.08575	0.6
96.45835	0.3
97.02847	0.4
109.10134	0.6
117.05337	0.3
119.08577	0.4
122.05992	2.0
124.07595	0.4
127.03880	0.3
135.04391	0.4
136.07552	1.9
137.02301	3.7
137.09576	0.3
138.02658	0.7
138.09111	0.6
147.04402	0.3
149.77060	0.3
163.03889	3.3
164.04211	0.6
164.07069	2.2
164.10677	0.5
171.09177	0.4
189.10262	1.3
199.08688	1.9
200.09436	4.7
201.06535	2.2
201.10219	0.7
202.07323	8.0
203.08095	0.3
213.10268	0.5
214.07385	0.7
215.11798	5.5
217.09724	9.0
225.82584	0.3
227.08119	5.1
228.08900	10.8
231.11168	0.4
233.09183	5.6
235.10738	0.6
235.95546	0.3
241.09555	0.4
243.11243	13.1
245.09097	1.1
256.91483	0.3
259.10779	10.1
261.08673	78.3
262.09015	1.2
263.10205	1.5
269.09201	0.5
287.10229	100.0
288.10580	0.6
398.17075	22.4
406.17911	1.1
424.18631	28.7
454.19818	2.5
472.20560	0.3
477.49542	0.3
479.30350	0.3
543.25909	1.4
547.25000	0.4
561.26636	1.3
591.28003	4.8
598.39038	0.4
609.21356	0.3
609.29474	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	609.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.17312	1.0
55.01863	12.1
55.05506	2.6
55.22522	1.1
57.07055	1.2
61.71836	1.1
66.53663	1.1
67.05497	13.4
68.05009	1.4
69.03419	8.0
69.07050	8.3
69.28497	1.2
70.06594	1.4
71.04960	1.7
71.21705	1.2
72.08126	1.4
77.28082	1.1
79.05460	6.7
81.03400	6.1
81.07044	15.8
83.04974	2.4
83.08602	2.4
85.02890	7.2
85.06540	2.4
86.09701	2.2
87.00806	1.6
88.86431	1.1
91.05470	16.2
93.05774	1.3
93.07036	16.1
94.06546	8.1
95.04960	2.4
95.08592	14.7
96.04501	1.9
96.08053	1.1
97.02871	1.3
97.06500	2.0
98.05991	2.3
105.07056	8.6
106.06525	1.4
107.08572	8.3
108.08101	17.0
108.54367	1.1
109.02866	6.2
109.10155	7.9
110.06024	4.5
111.04448	7.7
119.04925	22.8
119.08563	8.3
120.08080	2.9
121.06462	4.7
121.10129	6.2
122.06020	28.6
123.06853	1.1
123.11707	2.6
124.03951	1.5
124.07563	11.3
127.03893	2.7
132.08051	1.4
133.10150	2.9
134.05936	1.4
135.11658	5.7
136.07562	33.2
137.02324	61.5
137.03378	3.1
137.07965	1.6
137.13199	1.1
138.09132	29.4
144.07994	1.4
145.10109	2.7
146.06018	2.7
146.09641	1.4
147.04399	76.0
147.11729	2.6
148.04738	1.9
148.07529	1.5
149.07140	1.4
150.05516	5.0
159.11607	1.6
160.07588	4.8
161.13214	2.3
163.14742	1.5
163.21826	1.3
164.07040	82.7
164.10721	1.6
165.07396	6.1
172.07570	2.7
174.09128	18.0
176.03452	5.1
176.07045	6.6
177.06593	1.9
178.08589	1.7
181.09660	9.3
183.20735	1.2
184.07512	2.3
186.05432	1.4
187.12369	1.3
188.07069	5.7
189.10191	6.4
191.08134	9.0
192.10162	2.4
199.08516	2.0
200.07089	6.2
201.06581	5.3
201.10272	2.0
202.08669	23.3
203.08127	30.5
204.06541	40.3
205.06749	1.3
206.11798	1.5
215.08185	1.8
215.11740	2.6
217.09711	30.3
218.08081	2.9
219.11192	2.8
220.09637	5.7
226.12221	1.6
227.07935	1.8
227.11801	1.5
229.06076	13.9
229.13275	1.9
230.08104	11.5
231.07576	1.5
231.11235	2.7
241.09579	1.5
243.07698	4.1
243.11215	8.3
243.14975	3.0
245.09169	48.5
246.07613	6.7
247.10721	5.5
248.09164	7.6
257.12802	8.4
259.10797	8.9
261.08737	5.1
263.10220	100.0
265.11746	12.4
269.12766	1.6
271.07178	8.0
271.10373	3.5
277.08029	1.6
277.11667	2.1
283.14322	2.4
287.10333	5.6
289.08322	2.2
289.11713	9.7
289.25339	2.0
291.09631	2.6
291.13330	1.5
307.12854	27.7
307.26215	2.2
309.14450	6.0
319.16864	1.7
325.27313	2.0
331.13019	2.1
336.17114	2.6
338.18762	1.7
339.16861	9.7
356.19601	2.7
361.17584	1.8
364.16418	6.2
366.18011	2.2
367.16678	2.0
378.17975	7.2
382.17468	16.5
384.19043	12.3
396.19040	6.4
400.18604	2.1
402.20212	29.2
404.19592	8.3
410.17212	6.7
411.17776	2.3
422.20474	8.4
426.16174	2.4
428.17328	2.4
428.22244	2.7
440.21765	5.4
446.22787	14.3
452.18121	6.5
454.19620	15.4
472.21115	9.2
519.25830	2.7
545.27319	1.7
547.25452	16.2
565.26392	7.7
573.27136	11.3
591.27954	40.1
608.27148	1.8
609.21436	2.1
609.29077	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	609.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
56.00888	0.6
60.30843	0.5
61.02931	0.6
67.05488	0.5
69.03416	4.9
70.06574	1.0
72.08154	1.5
81.03397	0.7
81.07043	1.0
85.02893	1.2
86.09705	3.4
87.00802	0.7
91.05440	0.6
92.09299	1.0
93.07043	0.6
96.98705	0.6
107.04960	5.5
109.02890	0.7
109.10175	0.7
119.04932	1.2
122.06033	1.3
127.03896	1.3
135.04410	1.3
136.07565	1.1
137.02338	2.7
137.05937	1.2
157.06491	0.9
161.05952	0.8
163.03853	7.4
164.10707	1.3
169.06552	1.0
174.06740	1.0
175.08665	0.9
176.13568	0.6
189.09117	3.8
200.09424	3.5
201.06601	2.5
201.09007	1.1
202.07365	11.4
215.08151	0.7
215.11784	3.2
217.09694	12.7
219.10165	9.5
227.08072	2.5
228.08954	5.5
233.09204	6.4
235.10754	0.9
243.11195	5.8
259.10950	5.9
260.10208	1.1
261.08658	100.0
262.08923	0.7
269.04428	0.9
271.06076	1.2
274.31516	0.7
286.11981	1.6
287.10223	56.6
297.03864	0.9
328.12863	2.8
336.13327	5.0
347.86429	0.7
348.13306	3.6
354.14590	3.6
362.14920	7.9
378.18143	1.1
379.11594	0.8
380.12198	15.9
390.14255	1.1
391.15176	14.3
392.16000	13.0
394.13965	1.5
398.16745	4.9
406.17557	32.5
407.17886	1.1
410.20660	1.1
424.18607	43.8
425.18741	1.0
428.21533	1.0
454.19650	83.8
455.20108	1.4
543.19781	0.7
543.26111	13.6
571.89880	0.7
573.26941	2.6
591.28046	65.8
592.28113	2.5
609.29510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05499	3.9
57.03427	2.1
57.07066	1.1
61.02909	1.4
67.05484	4.9
69.03426	1.9
69.07056	5.6
70.06583	1.6
71.08611	1.8
72.08134	4.8
79.05486	7.9
79.34779	1.0
81.03414	1.9
81.07047	9.1
81.53429	1.1
83.04986	1.6
83.08579	1.4
85.02887	2.4
86.09693	6.7
91.05485	9.7
91.05984	1.2
93.07030	7.4
95.04950	6.1
95.08605	7.8
97.06517	14.0
99.08121	1.4
101.60239	1.1
105.07021	7.4
107.04977	1.4
107.08573	1.8
109.10133	5.3
117.07026	8.7
119.04911	1.4
119.08577	2.2
121.06503	2.2
121.10158	1.9
123.11671	2.0
129.06972	1.9
131.08577	6.3
133.10110	2.5
135.08078	1.3
135.11670	1.1
143.08540	1.3
145.10168	1.7
147.04411	6.2
155.08540	2.6
159.11714	1.3
161.09756	1.6
163.03864	2.1
168.38255	1.1
174.34932	1.1
176.11722	1.2
185.04156	9.0
201.03706	6.4
231.95119	1.1
275.07379	5.7
277.08282	4.5
293.17502	5.3
294.17886	1.3
298.13702	1.2
301.08746	1.4
307.26248	1.8
331.09857	12.2
376.25113	1.2
385.14578	8.3
425.18057	1.5
447.23334	2.2
489.11652	2.4
537.31378	1.5
586.04663	1.3
609.18884	3.6
609.28735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05525	1.8
56.94392	2.0
63.80170	2.0
67.05492	2.0
70.29053	1.9
79.05471	3.9
79.86796	1.9
80.24634	2.1
81.07046	2.5
85.68223	2.0
95.08586	2.6
166.65131	2.3
315.21671	2.3
421.23746	4.6
429.20624	4.9
448.18658	2.7
449.22052	2.5
476.21744	5.0
477.22623	3.5
485.22156	7.1
489.22687	4.4
499.21097	2.9
500.22372	2.7
503.24301	10.6
515.23785	4.7
531.23785	13.9
550.25153	3.0
559.23236	2.4
591.25763	18.3
609.26929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	32.0
57.07064	7.3
59.04990	5.0
59.62575	3.6
62.85465	4.6
67.05492	33.8
69.07050	7.9
79.05457	26.3
81.07046	64.5
81.30944	4.2
83.04952	7.0
83.08600	20.1
85.10191	5.2
89.35777	4.8
91.05453	24.2
93.07015	25.3
95.04938	9.9
95.08575	10.8
97.10149	24.3
105.07017	6.2
107.08573	19.4
111.04414	6.2
111.08059	6.2
117.06983	10.1
119.08548	24.0
121.10146	7.2
123.08023	6.7
125.09633	17.9
131.08553	7.8
135.08051	4.7
135.46150	4.7
145.10068	17.4
147.07983	7.1
153.09103	6.4
181.12297	7.0
189.11159	7.2
273.18423	23.3
291.19525	100.0
380.88858	4.8
555.44434	6.8
595.23596	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	609.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24394	0.4
52.93262	0.5
53.03938	1.0
53.91155	0.4
55.01869	2.5
55.05509	0.6
57.03433	2.5
57.30528	0.5
61.02920	1.0
67.05493	1.1
68.99787	0.8
69.03419	6.9
70.06570	2.1
71.04964	0.9
72.08142	1.1
73.02898	0.8
76.46980	0.6
76.75405	0.5
81.03399	5.3
85.02898	16.0
85.93710	0.5
86.09689	2.6
87.00817	8.4
91.05483	1.0
92.08733	0.9
93.07030	0.8
94.38638	0.5
95.05988	0.6
95.08602	0.9
96.74194	0.5
97.02866	5.2
97.06488	0.8
99.04436	2.6
105.01856	3.6
109.02851	4.4
109.10139	0.6
115.03938	1.0
115.05493	1.1
117.06961	0.7
121.10155	0.6
122.06008	1.3
127.03884	7.0
128.06203	1.4
129.06995	8.6
131.04918	2.2
131.08548	9.5
134.74945	0.5
135.04355	0.7
136.07489	0.6
137.02364	3.4
137.05969	7.0
141.06981	8.6
143.04962	0.7
143.08551	2.7
144.05695	1.1
145.05017	0.7
145.06529	1.1
151.07527	2.7
157.06461	8.2
158.07275	3.8
159.02930	2.2
159.08025	10.1
160.05186	2.3
161.04579	0.7
161.05925	1.4
161.09503	1.0
163.03882	3.8
163.07503	1.2
164.06999	0.6
164.10735	0.6
169.06450	6.1
170.07213	3.0
171.08044	2.6
174.06732	20.8
175.07498	7.0
186.06787	5.8
187.07468	0.8
188.08330	2.4
189.09055	38.8
191.10649	2.5
200.09393	2.0
201.06644	1.2
201.09048	15.4
202.07344	9.0
203.10638	6.8
215.11838	1.1
217.09747	8.3
219.10138	100.0
227.08064	2.3
228.08920	4.1
233.09224	5.7
235.10846	0.7
243.11206	3.3
259.10645	2.7
261.08661	68.4
265.82458	0.6
286.11786	0.8
287.10214	40.7
291.10129	0.7
301.11783	0.7
304.14529	0.7
318.16107	0.7
325.14072	1.1
332.14053	0.8
336.13409	3.5
348.13425	7.9
350.15018	0.9
353.21002	0.6
354.14392	2.9
362.14844	8.2
362.18625	0.9
363.15900	1.1
376.12686	1.0
378.18079	2.4
380.12314	10.5
380.19742	2.7
390.14108	1.1
391.15213	18.6
392.15759	7.3
398.17056	5.7
406.17554	42.4
410.20953	1.1
424.18610	35.9
436.18549	0.9
447.59109	0.6
454.19647	48.7
543.25977	23.0
543.33032	0.7
573.26868	3.6
591.28088	38.2
592.28839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81792	2.6
55.01866	12.9
55.05507	19.8
57.03418	23.2
57.07066	3.4
61.02920	13.8
67.05496	48.7
69.03408	11.4
69.07057	20.3
71.04976	11.9
71.08617	24.2
73.02909	4.8
79.05476	61.2
81.03407	11.8
81.07047	44.2
81.70699	2.4
83.04958	11.0
83.08607	6.1
85.02892	18.8
85.06555	4.8
85.90687	2.4
88.48813	2.5
91.05465	97.8
93.07027	60.3
95.04929	12.5
95.08589	28.3
97.02877	5.8
97.06522	25.4
99.04398	2.8
99.08079	13.2
103.03887	5.8
103.05463	2.9
105.07018	54.4
107.04935	5.2
107.08570	30.0
109.06503	5.1
109.10135	11.0
111.08117	3.0
115.05418	10.6
117.06996	100.0
119.04908	3.8
119.08553	35.1
121.06499	16.5
121.10139	20.8
123.08057	11.7
123.11719	3.4
128.06165	6.0
129.05447	3.2
129.06987	46.9
131.08551	72.2
133.06412	9.4
133.10107	19.3
135.08026	27.0
135.11696	5.5
137.09610	3.5
141.06966	34.4
141.12737	4.1
143.08539	32.6
145.06418	5.3
145.10098	38.6
147.04408	6.5
147.08075	10.4
147.11714	11.8
149.09608	10.9
155.08569	31.0
157.10088	33.8
159.08023	6.6
159.11713	22.9
161.09612	11.5
167.08456	3.4
167.17645	2.8
169.10103	28.4
171.11650	18.2
173.09480	10.5
173.13210	23.3
175.11142	5.2
181.10149	3.7
183.11635	31.5
185.13248	12.0
187.11122	18.6
191.14453	3.8
193.12253	2.6
198.38292	3.1
201.12741	36.5
217.15964	3.7
219.13855	5.1
249.02864	2.8
253.14200	4.9
265.19531	3.6
277.08112	3.5
283.20422	10.3
293.17468	94.6
301.21536	21.5
375.25262	54.6
393.26166	18.2
455.01938	2.7
609.17407	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	608.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	18.4
55.05491	21.0
57.03417	18.5
57.75978	3.3
61.02903	5.9
64.87898	3.1
65.03914	3.7
67.05493	49.2
69.03416	14.3
69.07044	22.0
71.04973	7.0
71.08629	26.2
73.02891	3.9
75.74995	3.2
79.05473	67.1
81.03391	15.7
81.07038	52.2
83.04952	16.3
83.08579	7.0
85.02893	14.8
85.06535	6.5
91.05457	100.0
93.06479	4.2
93.07023	61.5
95.04933	16.9
95.08589	32.9
97.02851	14.6
97.06500	30.3
99.08061	18.4
103.03912	13.8
105.07028	55.6
107.04929	6.9
107.08597	28.1
109.10130	14.8
111.08104	4.3
111.19417	3.5
115.05431	13.0
116.98605	3.5
117.06991	91.0
119.08561	37.1
121.06493	7.1
121.10098	20.9
123.08060	4.9
123.11673	3.4
128.06232	5.5
129.06976	44.4
131.08551	66.0
133.06441	5.0
133.10072	32.8
135.04393	3.9
135.08032	32.9
141.06982	35.5
141.12746	4.7
143.08551	31.3
145.06447	5.1
145.10092	35.6
147.04341	8.2
147.08009	8.1
147.11623	5.4
149.09604	5.9
151.11108	5.4
155.08513	25.0
157.10075	29.5
159.07962	4.5
159.11676	17.3
161.09584	23.4
167.08620	5.5
169.10057	14.2
171.11682	14.2
173.09642	4.3
173.11871	4.3
173.13228	22.3
175.11145	13.4
181.10143	6.5
183.11652	29.5
185.13217	17.5
187.11121	17.4
201.12767	34.1
203.14290	4.3
217.15860	4.7
219.13644	5.7
227.01881	3.7
253.14247	8.6
279.16003	3.7
283.20496	20.6
293.17389	82.6
301.21512	27.6
302.51196	3.8
375.25092	53.9
393.26166	23.2
553.76489	3.9
609.17145	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	608.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03754	0.5
53.03941	7.5
55.01863	5.4
56.36648	0.5
57.03431	5.2
61.02924	7.2
68.99790	2.1
69.03417	27.2
71.01312	0.6
71.04987	4.2
71.15118	0.5
73.02904	6.3
74.19633	0.5
81.02932	0.9
81.03403	25.0
82.38268	0.6
85.02889	63.9
85.24438	0.6
87.00814	30.1
89.03865	1.3
91.01897	0.7
91.03940	1.1
91.05441	0.5
93.05332	0.6
97.02869	37.9
99.04431	11.6
105.01852	28.9
107.04967	0.7
109.02140	1.2
109.02859	25.5
115.03911	0.8
117.01808	3.1
117.03358	3.9
117.26983	0.6
125.46320	0.6
127.03893	40.9
129.01799	3.6
135.04393	12.8
139.03835	1.3
145.02855	12.1
145.04936	15.9
147.02840	1.0
159.02844	12.0
163.03871	100.0
164.04224	0.6
168.66710	0.6
181.04936	18.0
181.33177	0.7
189.03992	0.8
213.03862	4.2
223.25490	0.6
231.04948	11.4
240.30746	0.7
249.06042	3.1
275.41144	0.7
311.22864	0.7
343.10040	0.7
385.33444	0.6
411.09033	6.2
420.44183	0.6
429.10217	0.7
495.58850	0.6
522.89160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03741	0.2
53.03957	1.2
53.93949	0.2
55.01891	0.9
57.03437	0.4
61.67790	0.2
63.02386	0.2
63.13561	0.2
69.03422	2.2
69.07076	0.3
69.26395	0.2
71.01346	0.2
71.04992	0.2
72.95458	0.2
73.02924	0.2
79.05486	1.4
81.03408	4.3
85.02890	3.1
86.09669	1.9
86.10149	0.2
87.00827	1.4
89.03893	6.3
92.08688	0.2
92.63892	0.2
95.04971	0.3
97.02877	2.4
99.04450	0.4
105.01849	0.4
105.07025	0.3
107.04943	2.7
107.82233	0.2
109.02850	2.7
109.06462	0.2
111.04428	0.8
115.05459	0.2
117.01984	0.3
117.03357	9.7
122.03634	0.7
123.25912	0.2
127.03914	3.1
129.06996	0.4
131.04930	0.3
135.04396	24.3
137.02328	63.0
137.03389	4.7
137.05936	8.2
138.06273	1.4
143.04927	0.7
145.02829	17.1
151.07603	0.2
155.03384	0.2
156.07664	0.4
159.02913	0.3
160.05168	1.0
163.03877	100.0
164.04108	0.2
172.05099	0.2
175.07503	5.5
176.07796	1.8
187.07472	3.0
188.07838	0.9
189.09125	0.4
205.08519	0.4
217.08345	0.3
248.08177	0.3
256.06909	0.3
271.09399	0.9
281.06549	0.5
285.05569	0.2
291.10013	0.2
299.07654	0.4
307.08838	0.2
311.12628	0.2
313.10507	0.2
313.23026	0.2
323.12534	0.4
324.13229	0.2
340.63049	0.2
341.13690	0.4
342.13837	0.2
354.57483	0.2
461.10690	9.0
495.79834	0.2
582.50909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.3
53.03937	5.1
55.01864	4.7
57.03427	3.6
57.15810	0.4
57.53047	0.3
60.80594	0.4
61.02916	4.5
61.75393	0.3
68.99763	1.9
69.03416	17.8
71.04977	3.6
73.02903	4.3
81.03401	16.6
83.04951	0.4
85.02888	43.7
87.00811	22.8
87.04442	0.5
89.03897	1.9
91.03920	1.7
97.02872	28.7
99.04445	7.7
105.01848	18.9
107.04936	0.9
109.02139	0.7
109.02863	17.7
111.26237	0.4
117.01834	2.6
117.03337	4.3
127.03892	26.9
129.01804	1.6
135.04390	15.4
137.02292	0.5
139.03873	0.5
145.02831	13.6
145.04910	10.5
147.02849	0.8
147.04362	0.5
159.02849	7.1
163.03870	100.0
179.03287	1.8
180.03690	0.6
181.03329	0.7
181.04926	19.9
181.06462	0.8
189.03934	0.5
213.03899	1.9
231.04962	6.8
249.05954	2.4
343.10138	0.6
411.09174	3.3
429.10083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31984	3.8
51.02140	3.8
53.03946	8.2
55.01867	6.0
55.05503	30.2
57.07075	9.1
61.02903	6.4
64.06905	4.5
67.05502	43.9
69.03408	31.2
69.07055	62.5
71.04967	8.1
71.19628	4.7
73.02898	6.2
77.01640	4.9
77.61398	4.2
79.05482	34.4
81.03387	21.7
81.07032	84.1
83.08624	8.9
85.02904	36.4
85.06522	5.9
87.00806	20.6
90.97527	4.0
91.05470	29.7
93.07022	64.1
95.04951	21.7
95.08595	100.0
97.02879	27.2
97.06514	19.7
97.10135	20.7
99.04439	11.0
99.08036	4.6
105.01855	4.6
105.06996	34.5
107.08590	61.5
107.71986	5.6
109.02857	9.9
109.06474	7.0
109.10137	55.6
111.08073	6.1
119.08549	33.8
121.06458	5.3
121.10140	46.1
123.11687	24.5
125.06041	4.9
127.03926	21.4
131.08560	10.5
133.10100	45.0
135.11671	36.0
147.11708	21.2
149.13254	31.3
152.07095	8.9
159.11690	6.5
163.14845	8.5
175.14731	5.4
193.04852	4.9
224.64131	4.5
237.00702	6.2
259.24173	9.7
267.08746	4.9
269.10480	9.7
269.22830	7.5
287.23642	21.3
293.24606	7.6
305.24722	85.2
323.25693	34.3
385.17581	6.0
517.27283	6.4
533.88544	5.8
607.19672	7.6
607.51233	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	607.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67990	1.0
71.97108	1.0
81.07034	2.6
93.56420	1.1
114.57880	1.1
146.81508	1.1
168.02956	1.2
290.84036	1.4
315.19229	2.1
492.51031	1.4
505.06381	1.3
607.39606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
64.23698	0.8
82.94735	1.0
99.84144	0.9
100.39610	1.0
123.61378	1.2
161.31853	1.0
275.11578	1.1
281.86749	1.2
321.85516	1.1
403.18799	1.8
417.20731	2.3
419.22073	2.1
431.18076	8.7
433.24026	10.4
434.24799	1.1
445.19724	8.8
446.21005	5.3
447.21991	4.3
459.21396	2.3
460.22324	12.9
461.23389	10.6
473.23486	1.6
505.22360	1.8
519.24127	1.3
547.26910	35.6
607.29059	100.0
608.29224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.91829	0.6
55.05507	0.8
59.04965	0.8
64.14809	0.7
67.05506	0.8
81.91968	0.7
88.45798	0.7
92.64610	0.8
104.07376	0.7
123.55128	0.8
147.27190	0.7
153.58284	0.7
184.56898	0.9
233.96796	0.7
272.98679	0.7
389.17261	1.2
401.18036	1.0
403.19318	4.6
405.20844	1.6
417.20816	3.8
418.21567	3.3
419.22394	3.7
420.01718	0.8
431.17969	11.1
432.19543	1.1
433.23907	14.3
434.24460	0.8
445.19714	12.3
446.20657	5.9
447.21555	6.1
459.21750	4.5
460.22467	13.9
461.23358	14.1
473.23328	4.3
487.25226	2.7
492.25095	0.9
505.22400	3.9
519.24060	1.0
519.27594	1.1
547.26965	56.0
548.26721	1.5
607.29077	100.0
608.29663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	3.4
55.05510	6.1
66.33944	2.2
67.05499	16.0
69.03411	5.6
69.07058	11.9
71.04984	3.5
79.05479	14.5
81.03388	6.5
81.07049	24.1
85.02898	6.4
87.00822	3.0
91.05490	13.7
93.07021	20.6
95.04955	6.1
95.08598	14.4
97.06523	11.3
104.45951	2.7
105.07028	13.8
107.08604	20.4
108.08132	23.1
109.10139	12.4
111.75735	2.9
116.10748	3.9
118.06535	3.4
119.04959	5.2
119.08569	12.2
121.10131	7.0
122.06040	14.0
123.06811	3.5
123.11694	3.2
124.07573	20.4
127.03942	3.8
133.10138	5.7
135.11624	3.0
136.07564	37.7
137.02283	3.3
137.05942	3.3
138.09114	31.3
141.07552	3.0
145.10030	4.8
147.04404	13.1
147.11691	4.0
162.81174	2.8
163.03882	12.4
164.07043	77.8
164.10736	14.8
174.09108	4.6
176.10796	4.1
177.06587	6.8
203.08049	4.6
212.10803	3.1
216.10283	4.4
218.53940	3.3
228.10243	5.3
229.06458	3.5
242.11638	3.0
243.11195	5.0
244.09685	10.8
245.09148	4.9
257.12814	6.5
258.11194	29.5
261.08658	15.1
263.10297	5.1
267.11484	5.1
269.10269	5.6
269.12881	10.9
275.13760	4.6
286.15454	4.8
287.10336	16.6
301.11890	34.8
305.24783	6.4
314.14920	17.6
328.24911	4.5
353.18454	11.7
363.17047	13.2
365.18744	3.7
380.19763	4.4
381.17975	44.7
391.16562	13.9
408.19156	12.3
409.17450	81.3
426.20059	15.3
426.31885	5.5
427.32782	3.5
434.17142	3.9
444.21066	5.5
452.18231	25.2
485.81805	3.3
487.05014	3.2
507.28152	3.6
550.45813	3.5
589.26282	46.6
607.19135	9.6
607.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14326	0.7
55.01870	1.7
57.03485	0.7
57.72872	0.6
67.05498	4.3
69.03414	1.8
69.07056	1.8
81.07028	1.5
85.02911	1.0
87.00854	0.8
91.05461	10.2
93.05786	4.0
93.07033	6.9
94.06562	3.9
95.04978	3.4
95.08586	1.7
96.04458	1.3
96.08166	1.1
97.06519	3.6
105.07044	1.7
107.46928	0.8
108.08118	20.1
109.06544	0.9
109.10145	1.2
110.06081	1.7
118.06559	1.1
119.04921	8.0
119.08561	0.8
119.48090	0.8
121.06484	4.6
121.10145	1.7
122.06027	13.8
123.06765	1.3
124.07583	10.5
135.10469	0.8
136.07565	30.5
136.08522	1.5
136.11214	1.0
137.02373	2.0
138.09132	27.3
144.07893	0.9
146.06021	4.8
147.04454	5.4
148.07564	0.9
149.07124	1.6
152.07179	1.0
160.07594	1.6
160.15141	0.9
162.05525	1.7
163.03886	2.1
163.08699	4.2
164.07048	100.0
164.10707	7.1
174.09138	5.1
175.05029	1.3
175.08676	1.8
176.10736	1.0
177.06604	5.5
181.09761	4.6
188.10695	1.1
191.08192	4.2
192.10228	5.3
200.07152	1.0
201.06465	1.1
201.10295	1.1
202.08745	2.0
203.08151	7.3
204.06598	1.4
211.12236	0.9
212.10905	1.3
214.08702	1.0
214.10820	0.9
215.11823	1.1
216.10274	3.4
217.09805	5.4
218.08110	4.1
220.09708	2.0
227.08168	0.9
227.11842	1.3
228.06537	5.1
228.10222	3.8
229.06052	3.0
230.08116	3.6
230.11784	1.6
231.11345	1.2
235.10825	1.9
239.11861	1.3
240.10255	1.3
240.12511	1.4
241.09769	1.0
241.13329	8.8
242.08195	1.0
243.11357	1.7
244.09749	4.9
245.09181	6.8
245.12764	1.2
246.07611	1.8
257.12872	4.9
258.11218	25.7
260.12802	1.5
261.08694	8.4
261.11609	0.8
263.10287	5.6
269.08972	1.2
269.12897	5.8
270.07596	1.0
271.10675	1.2
271.14499	1.3
273.12381	3.6
274.12939	1.0
275.13947	4.8
286.15521	5.2
287.10205	12.6
289.15408	10.3
293.16382	1.7
301.11737	23.9
305.11313	9.4
314.14841	10.2
315.09634	1.3
315.13562	1.1
321.16037	1.5
322.15158	1.3
325.19312	1.0
335.17850	1.1
336.15747	1.1
339.17117	1.8
345.15906	0.9
353.18594	7.9
363.16873	9.1
365.18774	1.5
366.17993	1.5
378.18558	1.3
381.17969	25.0
382.16586	1.1
391.16492	4.8
406.17709	1.9
408.19034	8.5
409.17526	56.3
410.17896	1.4
420.19348	1.0
424.18167	1.1
426.20175	13.4
434.17221	1.5
444.21036	7.5
452.18079	18.9
470.19330	1.6
477.21237	1.9
484.30685	0.9
571.25073	1.1
589.26465	31.4
607.17914	1.7
607.27594	50.7
608.28046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29761	1.0
52.01403	0.8
52.99104	0.8
53.03926	0.9
53.05717	0.9
55.01857	1.7
55.05494	1.0
57.91885	0.8
64.15710	0.9
67.05487	4.3
68.05016	1.3
69.03417	2.3
69.07069	1.0
81.03398	1.7
81.07045	4.4
83.04969	1.8
87.00854	1.0
87.69153	1.1
91.05476	10.5
92.09329	1.9
93.05772	1.9
93.07035	12.4
94.06567	5.9
95.08607	1.7
97.06525	4.3
103.05431	1.0
107.08577	1.8
108.08103	24.7
111.04452	1.5
119.04947	7.6
120.08092	2.1
121.06492	6.6
121.10145	1.5
122.06030	14.6
122.09692	1.3
124.07555	14.4
127.03875	1.1
136.07556	38.0
137.02399	2.0
138.09129	40.3
146.06004	5.8
147.04425	7.8
148.07571	1.7
149.07103	4.8
152.07088	6.0
156.08076	1.3
160.07593	4.2
162.05550	1.8
163.03944	1.6
163.08656	2.5
164.07043	100.0
164.10695	11.5
172.07446	1.5
174.09128	5.1
175.05037	2.1
176.10732	1.9
177.06602	6.6
181.09645	7.4
184.07573	1.4
186.05530	1.8
188.07101	1.5
188.10646	1.4
190.08640	2.6
191.08130	2.4
192.10207	6.1
200.07133	2.3
202.08659	5.1
203.08098	6.8
212.10779	1.1
216.10237	4.5
217.09766	4.2
218.08156	4.9
219.08809	1.9
220.09659	2.1
226.08633	1.5
227.11723	1.1
228.04498	1.0
228.06540	9.5
228.10223	4.8
229.13478	1.5
230.08163	1.4
235.10764	1.6
240.10252	1.9
241.09747	1.9
241.13333	1.9
242.08098	1.8
243.11308	5.0
243.14990	1.6
244.09747	4.4
245.09160	5.7
246.07620	4.3
248.09117	1.4
257.12869	4.3
258.11169	26.7
260.12622	1.5
261.08667	9.7
263.10309	6.3
268.14383	2.4
269.04279	1.5
269.09277	1.4
269.12744	7.3
270.04749	1.1
271.14536	1.9
272.09119	1.9
274.13211	1.4
275.13922	5.4
286.15445	8.9
287.10263	11.0
289.11749	1.4
301.11841	23.9
305.11337	6.8
314.14929	19.0
315.09860	1.3
321.15955	2.0
323.51974	1.4
325.15640	1.4
335.17654	1.7
339.16983	4.0
353.18411	7.7
363.16977	13.7
364.15472	1.8
365.18851	1.7
366.17639	2.3
367.16248	1.7
380.19592	1.8
381.18039	32.4
382.16296	2.0
391.16565	8.5
394.15060	1.3
398.20776	1.3
406.17673	2.1
408.18951	4.0
409.17487	60.6
426.20090	17.1
427.19202	1.1
444.21280	10.4
452.18134	22.1
571.25604	2.3
589.26453	34.9
607.27557	90.9
608.28192	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.12770	0.4
55.05061	0.4
64.94447	0.5
67.05479	1.0
69.32364	0.4
70.14552	0.5
70.35035	0.5
77.00452	0.5
79.05505	0.8
79.49088	0.5
92.09343	1.4
105.07070	0.7
120.62340	0.5
155.58618	0.6
186.15372	0.5
250.69438	0.6
389.17517	2.9
390.18466	1.2
403.19531	3.8
404.20081	2.7
405.20822	3.8
416.15970	0.7
416.20691	0.7
417.16168	5.4
417.21460	2.3
418.21884	1.1
419.22217	7.4
431.18262	9.0
432.19153	4.2
433.19638	4.2
445.20117	6.3
446.21115	9.5
447.21606	10.0
448.23074	0.9
459.17059	0.7
459.22403	1.1
461.19357	1.9
461.34589	0.6
473.24179	0.6
474.20346	6.0
475.21072	4.8
477.22726	0.9
478.23663	0.7
487.21512	1.3
491.20163	4.2
501.23007	1.2
519.23969	20.3
547.23297	18.9
548.23706	0.6
575.22552	0.7
579.25787	6.6
597.33624	0.6
607.25439	100.0
608.25708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01863	1.1
55.05500	0.8
60.36322	0.5
67.05496	3.6
67.22447	0.5
69.03421	2.2
69.07051	1.1
79.05480	0.9
81.03391	1.3
81.07014	0.6
85.02902	1.0
91.05468	11.4
92.09325	2.1
93.05769	3.3
93.07037	8.4
94.06541	3.5
95.04955	1.4
95.08585	0.7
96.04450	0.9
97.06532	2.1
106.36217	0.5
107.08566	0.8
108.08108	17.5
110.06039	2.5
111.04441	2.9
112.96824	0.5
118.06553	2.3
119.04932	9.3
119.08586	0.8
120.08051	0.6
121.06480	2.1
121.10114	1.2
122.06003	9.2
123.06756	0.8
124.07584	6.3
127.03928	0.7
128.46983	0.6
133.10066	0.6
134.05980	0.7
136.07550	28.5
137.02359	5.2
137.03256	0.5
138.09120	21.4
146.06036	2.0
147.04395	11.1
147.05446	0.9
148.07591	0.8
149.07135	2.7
152.07036	0.6
153.01830	3.1
160.07509	0.7
162.05544	1.9
163.03877	5.0
163.08662	2.2
164.07040	100.0
164.10707	4.4
172.07605	0.6
174.09111	2.2
175.05011	1.3
175.08656	0.8
176.10678	1.2
177.06528	5.2
181.09700	1.0
188.07097	0.9
188.10710	1.3
191.08185	1.1
192.10211	2.1
200.07094	1.1
202.08723	4.0
203.08179	3.0
204.06615	1.2
213.10199	1.1
215.11835	1.0
216.10234	2.5
217.09727	3.3
219.08987	0.8
220.09604	1.2
228.06525	1.2
229.06001	1.0
229.09723	0.8
230.08096	0.8
231.11417	0.8
232.09431	0.6
234.09998	0.6
235.10803	0.9
241.13289	1.0
242.11757	0.7
243.11322	2.3
243.15024	0.6
244.06734	0.6
244.09657	1.3
245.09312	2.9
245.12820	0.8
246.07707	0.9
248.09320	0.9
257.12848	2.6
258.11282	3.4
259.10620	0.9
260.09921	0.6
261.08737	3.6
263.10272	3.0
268.14508	0.7
269.12775	8.2
271.10767	0.7
271.14395	1.3
272.09409	0.6
274.13071	0.9
275.13806	4.9
286.15414	8.1
287.10263	5.6
289.11789	1.3
301.11765	11.3
305.11172	4.9
314.14877	14.3
321.12387	0.7
339.17102	1.3
353.18655	1.3
357.17865	0.6
363.16904	3.4
366.18100	1.3
367.16489	1.0
380.19595	0.8
381.18024	6.1
382.16528	1.0
391.16516	0.7
398.20862	1.1
408.19110	5.5
409.17578	9.1
424.18512	0.6
426.20084	12.1
427.18372	1.2
434.17209	1.0
444.21173	14.1
452.18036	8.4
470.19318	0.8
477.21375	1.1
589.26440	14.0
607.27539	39.4
608.27325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01867	5.0
57.03428	4.0
60.29957	0.4
60.37331	0.4
61.02928	3.7
62.76226	0.5
68.99787	1.2
69.03420	11.7
70.58335	0.5
71.04985	2.9
73.02903	3.6
79.05479	1.2
81.03395	12.6
81.07027	1.2
85.02892	23.7
86.09708	1.0
87.00813	14.1
91.03938	0.6
91.05451	1.8
94.04156	2.2
97.02873	21.8
97.06531	0.7
99.04424	5.4
103.05456	1.2
105.01865	6.8
107.04942	0.7
109.02868	9.2
109.06522	2.1
111.04449	1.0
115.03954	1.0
115.05455	6.6
117.01847	0.9
117.07016	1.3
119.08586	0.6
122.03619	4.7
125.05939	0.6
127.03910	12.8
128.06197	0.7
129.01840	1.3
129.06984	6.6
131.04901	5.2
133.02818	0.7
135.04393	2.4
137.02377	7.5
137.05963	100.0
138.19937	0.6
143.04929	10.9
144.05667	2.3
145.02840	0.7
145.04987	4.9
145.06427	2.0
146.03593	0.9
147.02858	0.7
151.03893	2.4
151.07567	3.0
153.05495	1.3
157.06467	7.8
159.02875	6.1
160.05179	15.0
161.06004	3.1
163.03867	10.4
163.06328	0.5
163.07486	3.8
172.05125	3.8
174.06789	2.8
175.07521	69.6
175.27829	0.5
177.05539	0.7
179.06972	1.1
187.07510	38.6
189.09048	9.0
191.08589	0.7
199.07574	0.8
201.09114	1.2
203.08540	3.0
205.08568	7.4
211.07564	2.9
217.08551	3.8
219.08086	2.8
219.10037	1.6
222.06775	0.6
227.07047	2.0
231.05003	0.6
231.08035	3.4
233.09764	0.5
235.09621	6.6
239.06949	2.5
240.07817	1.0
247.07523	0.7
248.08211	3.8
255.06454	1.3
256.07285	1.1
259.07455	1.0
261.09146	0.9
263.10614	3.4
265.08524	2.0
270.08752	4.8
270.64490	0.6
271.09601	6.7
276.07806	1.0
277.08591	0.7
279.10098	4.0
283.09610	0.9
291.10107	9.7
293.08063	0.7
295.09335	0.6
296.10419	0.9
297.11209	0.7
307.09885	0.6
308.10251	1.1
311.12817	4.7
323.12799	9.6
325.14282	2.0
341.13736	12.6
341.21457	0.8
355.21057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12684	3.0
54.81679	3.4
55.01870	13.1
55.05510	58.6
57.03428	6.6
57.07068	23.3
62.02411	2.7
62.86502	2.8
67.05497	78.5
67.76405	3.5
69.03417	5.8
69.07050	39.9
70.58151	3.0
71.04968	4.6
71.08619	7.3
79.05476	63.8
81.03410	17.4
81.07043	70.2
83.04976	14.0
83.08608	39.7
85.06496	3.3
85.10175	22.4
87.04449	3.0
91.05461	78.0
93.07030	78.7
95.04958	50.0
95.08595	54.2
97.06519	15.6
97.10162	13.7
105.07009	76.0
105.43180	3.2
107.04969	16.9
107.08596	45.2
109.06532	7.6
109.10157	26.6
111.04517	4.0
111.08117	4.9
113.09650	8.0
117.07011	28.2
119.08549	54.2
121.06448	12.3
121.10120	36.7
123.08025	8.2
123.11691	6.8
125.09648	4.5
129.07028	5.3
131.08559	36.6
133.10120	41.0
135.08040	6.7
135.11670	14.1
137.09616	7.0
141.07079	3.2
143.08540	5.6
145.10130	31.9
147.11702	22.6
149.09612	40.8
149.13252	6.3
151.11270	5.0
157.10158	5.4
159.11703	17.2
161.13281	13.0
163.11150	47.0
165.12762	20.2
171.11691	4.9
173.13277	4.5
176.58693	3.4
183.11662	4.7
196.17401	3.0
197.13367	3.9
209.11734	5.1
217.50140	3.5
223.13298	22.4
239.17960	5.7
257.19034	14.2
275.20029	100.0
277.21548	43.0
279.23312	4.4
293.21127	32.0
295.22568	27.4
301.16348	4.0
303.23227	4.4
313.27353	23.4
521.38367	12.5
553.41516	7.6
571.43201	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	606.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01862	30.2
55.05508	29.6
57.03414	8.7
57.07056	7.2
61.02922	6.0
62.90506	3.3
67.05493	47.0
67.91293	3.2
69.03409	18.7
69.07062	28.7
71.04973	4.0
71.08617	27.0
73.02913	6.3
79.05474	70.5
81.03368	8.6
81.07037	55.4
83.04964	29.2
83.08599	20.3
85.02878	21.1
85.10172	5.4
87.04446	3.6
91.05464	82.0
93.07031	68.1
95.04957	33.0
95.08582	27.6
97.02866	7.7
97.06477	15.1
99.04404	6.8
99.08071	22.2
103.05463	5.3
105.07020	63.8
107.04939	46.9
107.08582	47.1
109.06501	17.9
109.10125	14.3
111.04391	33.4
111.08032	15.3
115.05408	6.1
117.07011	61.2
119.08537	20.7
121.06477	7.0
121.10108	20.1
121.60964	3.4
121.82614	3.4
123.08123	5.0
125.09732	5.1
129.06972	34.0
130.78215	4.0
131.04922	4.2
131.08540	68.1
133.06477	21.7
133.10098	16.4
135.08051	41.7
139.11197	4.1
141.06967	32.3
143.08543	23.5
145.06483	16.1
145.10089	35.4
147.07970	7.0
147.11626	8.1
149.09601	26.5
151.11156	6.0
155.08517	21.2
157.10104	6.2
159.08008	20.1
159.11656	15.9
161.09584	4.3
161.13208	4.0
163.03888	4.0
163.11145	7.4
165.09067	4.9
167.08521	6.0
167.10658	6.8
169.10117	30.9
171.11653	16.7
173.09595	9.1
177.09206	4.0
177.12608	5.8
181.10144	9.2
183.11661	14.6
187.11125	22.6
189.12639	7.1
195.13770	6.9
201.12686	8.3
215.14232	7.7
233.11746	4.1
233.15332	14.4
253.19398	4.9
271.20535	5.5
281.18927	8.3
299.19946	40.7
305.24481	7.2
310.79431	4.0
317.20966	37.0
391.24731	79.7
409.25769	100.0
509.81497	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	606.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47079	5.1
53.97472	4.7
55.01860	26.7
55.05499	13.9
56.01450	5.1
57.03416	9.0
61.02906	11.1
62.72895	4.7
67.05499	49.0
69.03397	9.0
69.07053	24.0
71.08611	23.4
79.05479	55.7
79.28358	5.2
81.03404	11.1
81.07038	53.6
83.04951	11.4
85.02888	13.8
85.06539	6.4
87.13258	5.0
91.05464	65.3
93.07049	48.7
95.04938	26.4
95.08584	24.4
97.02861	10.9
97.06510	8.9
98.97579	6.1
99.08080	10.5
103.05481	8.0
105.07038	51.0
107.04939	11.5
107.08575	40.8
109.10110	11.6
111.04427	32.3
117.06985	41.8
119.08559	23.4
121.06496	7.0
121.10123	27.7
123.08010	5.8
126.67291	5.5
129.06987	23.5
131.08553	53.7
133.10106	12.6
135.08029	27.7
141.06998	11.2
141.68326	5.3
143.08582	9.7
145.06456	9.1
145.10052	23.9
147.07898	6.0
149.09641	10.3
155.08551	9.1
159.11613	6.4
161.01151	6.4
167.10713	7.4
169.10025	7.8
169.65361	6.1
171.11684	8.4
187.11128	8.5
205.12595	5.9
215.14445	6.4
288.11871	6.5
299.19937	12.2
317.21121	8.0
391.24689	39.7
409.25705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01869	1.0
55.05500	2.7
57.03412	2.5
61.58267	0.5
65.55128	0.5
67.05499	1.4
69.03415	7.0
69.07066	4.0
70.03739	0.8
71.04976	0.8
71.38794	0.4
74.77410	0.5
79.05461	2.5
81.03379	4.4
81.07043	2.1
83.04979	8.7
83.45007	0.5
85.02892	5.6
85.06507	0.9
91.05453	1.3
93.07011	1.1
95.04959	0.9
95.08596	2.1
97.02877	2.9
97.06512	11.2
98.06850	1.2
99.04411	1.2
105.07007	2.8
107.08558	0.9
109.02886	1.3
109.10181	1.1
113.05960	0.7
115.07551	1.1
116.27515	0.6
119.08569	1.1
127.03906	3.1
129.06960	0.6
131.08591	0.7
135.04402	1.0
137.02325	3.5
139.05376	1.1
141.06993	0.7
145.10094	0.7
147.04434	0.9
149.02292	0.6
149.13176	0.6
157.06445	0.7
161.02385	0.6
163.03888	10.3
164.04201	2.1
169.06506	2.5
173.02354	3.1
185.05994	2.4
197.05983	2.4
203.03404	3.5
212.09612	0.6
213.05438	8.7
215.07007	8.6
216.07347	0.8
223.03906	3.1
231.02887	2.8
241.04915	9.7
243.06548	0.9
251.03430	0.8
259.05936	4.5
259.09601	5.4
260.09918	4.1
261.10117	1.0
269.04416	100.0
277.10657	3.0
287.05481	8.5
290.89468	0.6
297.03903	35.0
315.05035	2.7
421.14795	0.7
422.14944	0.9
423.15515	0.9
426.75610	0.6
431.09927	1.0
441.07944	1.3
457.94168	0.6
459.08978	4.9
518.69812	0.6
571.10956	1.4
612.01331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03444	2.8
67.05483	11.6
69.03412	3.6
69.07051	5.9
73.25352	2.5
77.84251	2.2
79.05486	4.1
81.07027	10.7
86.04063	2.0
86.06046	5.8
91.05457	11.0
93.07003	4.7
95.08598	4.1
97.06476	19.0
98.09630	4.3
105.07020	4.4
107.08592	3.5
109.10122	4.5
116.10733	23.6
119.08566	3.7
121.10162	3.2
122.06014	41.7
122.09650	5.3
131.08557	3.7
136.07547	5.6
138.09132	13.9
142.08702	3.4
145.10147	3.8
147.04382	4.0
147.11703	3.6
148.07533	3.5
150.09119	3.2
153.01801	3.1
157.10091	2.6
162.09087	2.7
163.03879	10.6
164.07071	5.1
165.91530	2.3
173.02359	2.9
176.10629	2.4
185.91878	2.4
196.04599	2.2
196.79738	2.9
197.21381	2.6
199.08589	2.8
206.11742	2.7
213.10327	3.2
220.09711	2.4
224.10657	3.1
239.11754	5.8
241.13353	4.2
243.11145	6.1
243.14975	3.3
253.09781	5.0
255.11191	14.2
259.09644	3.8
260.09979	5.4
263.48175	3.0
267.11154	6.0
269.12781	3.1
287.14005	3.5
295.10654	11.6
297.12183	3.3
298.09146	3.1
313.11798	44.4
315.13260	31.7
326.23151	9.6
344.24316	12.3
345.24771	4.3
388.20309	3.3
404.15912	3.7
406.21179	17.4
443.31787	2.6
452.21802	100.0
482.22815	21.1
572.31494	3.0
575.28131	12.3
605.29694	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	605.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01850	3.3
55.05501	1.3
56.05016	0.6
57.03429	1.4
67.05483	3.2
68.99770	0.9
69.03129	0.5
69.03426	8.7
69.07051	7.6
71.04977	8.0
73.02898	1.0
79.05472	9.8
81.03397	5.5
81.07034	2.4
83.04961	3.1
85.02410	0.8
85.02885	9.7
85.06522	5.2
86.09694	100.0
87.00803	4.5
91.05455	6.3
93.07034	8.2
95.04938	3.2
97.02878	4.8
97.06519	11.4
98.06827	1.3
99.04412	2.6
99.08059	1.2
105.01852	2.2
105.07027	13.1
107.04926	3.7
107.08584	14.2
109.02856	3.1
109.06499	3.0
109.10174	1.0
111.04408	4.3
113.05991	1.0
117.03341	0.6
117.07002	3.9
119.08563	8.7
121.06502	4.1
121.10133	9.7
123.04432	0.8
123.08019	1.2
125.05960	0.7
127.03907	4.5
128.10733	4.2
129.06958	3.1
131.08545	22.9
132.10181	26.0
133.10078	0.7
135.04408	6.4
135.08034	1.0
135.11629	1.3
136.47285	0.6
137.02316	3.8
137.05949	2.7
137.09578	5.0
145.02815	2.3
145.06462	0.9
145.10120	15.4
147.07994	4.0
147.11678	3.3
149.05931	2.6
149.09602	43.9
155.08511	0.8
159.02876	0.8
161.05859	0.7
161.09666	0.7
163.03883	12.8
163.07446	1.2
163.11159	14.3
164.04228	1.1
165.09088	4.5
165.12666	1.3
167.10649	36.9
167.12083	1.2
173.02315	2.3
173.09595	6.2
191.10645	27.5
192.13789	0.6
206.15434	1.2
209.11717	21.4
210.14923	4.1
215.06970	6.6
216.07355	3.0
217.08554	1.1
231.05232	0.6
238.14391	0.9
256.15546	1.0
258.18463	4.1
259.09567	6.6
260.09998	4.1
276.19513	15.3
277.10669	3.4
278.10992	2.2
294.20624	6.4
304.19205	4.0
317.11404	0.7
317.26178	0.7
322.20087	20.9
340.21146	92.1
341.21243	1.0
421.14926	1.3
422.15213	2.8
439.15552	0.7
440.15964	0.8
553.16632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
53.03937	6.4
54.82738	1.4
55.01859	15.8
55.05505	49.9
56.52084	1.0
56.92803	1.1
57.03422	6.4
57.07072	3.0
59.04976	2.7
65.03938	1.9
67.05492	44.5
69.03416	3.4
69.07059	16.8
71.04970	2.1
79.05478	69.0
81.03391	7.3
81.07039	92.5
83.04967	20.0
83.08605	32.0
85.02916	2.7
85.06523	2.1
91.05464	37.5
93.07027	43.0
95.04954	28.2
95.08588	25.5
97.06506	6.0
97.10160	37.7
99.04526	1.6
100.07439	1.2
102.47134	1.1
103.05512	1.3
105.07012	29.3
107.04964	12.8
107.08577	33.2
109.06496	11.5
109.10140	14.8
111.04433	18.3
111.08065	10.1
115.05356	1.4
117.07008	25.5
119.08562	41.8
121.06493	16.6
121.10116	16.3
123.08044	16.0
125.09625	25.8
128.06172	1.5
129.06970	10.5
130.07837	1.3
131.08551	20.0
133.06482	5.4
133.10138	11.8
135.08034	8.3
135.11707	10.7
137.09612	2.1
142.07751	1.8
143.08559	8.5
145.10112	24.6
147.08038	19.0
147.11674	8.3
149.09602	10.5
149.13260	2.2
153.09114	8.1
153.12773	6.8
155.08511	4.7
157.10117	9.1
159.11703	9.1
161.09605	9.1
163.11137	15.7
165.09047	9.3
169.10095	1.6
171.10187	1.3
171.11708	5.2
173.09613	1.7
173.13220	1.6
175.11116	1.9
177.12624	2.0
181.10132	1.8
181.12227	8.0
185.13254	3.0
187.11153	1.5
189.11137	13.1
191.10641	3.3
223.13261	2.1
227.12785	7.5
227.17873	2.8
245.18921	2.0
249.14902	7.6
255.17389	5.0
261.22049	2.0
273.18390	25.6
291.19498	100.0
291.22800	3.2
309.20523	6.2
528.28320	1.4
529.05658	1.6
551.40649	2.3
569.41333	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	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01868	7.7
55.05506	44.7
57.03427	1.7
57.07069	1.8
57.61028	0.6
59.04969	0.9
65.03922	1.4
67.05139	1.6
67.05496	42.0
67.09659	0.7
68.20798	0.7
69.03407	1.5
69.06709	1.1
69.07055	20.0
70.64732	0.8
71.04968	3.3
79.05475	45.7
81.03405	8.0
81.07041	43.2
83.04970	8.6
83.08609	29.7
85.02919	0.9
85.06538	1.1
91.05466	51.2
91.97575	0.8
93.07028	44.7
95.04948	35.4
95.08590	30.8
97.06526	8.9
97.10149	7.2
103.05413	1.4
104.50331	0.9
105.04529	0.8
105.07014	56.9
107.04924	11.8
107.08572	26.0
109.06471	6.9
109.10154	14.4
111.08052	5.9
115.05421	1.1
117.06995	22.4
118.44360	0.7
119.07706	1.7
119.08557	44.7
119.68192	0.8
121.06499	9.5
121.10110	21.9
123.08032	6.1
123.11700	1.2
125.09598	4.6
129.06979	9.4
130.07767	1.8
131.08548	28.6
133.06450	3.3
133.10107	37.4
135.08043	4.8
135.11658	11.9
137.09612	5.9
139.11163	1.2
141.06966	3.4
142.07750	0.9
143.08530	8.5
145.06474	1.2
145.10104	27.8
145.65828	0.9
147.08046	3.8
147.11667	17.4
149.09601	34.3
149.13222	4.0
151.11136	3.7
155.08496	6.4
157.10129	9.0
159.08057	0.9
159.11653	15.8
159.44060	0.7
161.09618	1.2
161.13234	7.7
163.11160	32.2
164.87657	0.9
165.12724	5.0
167.08594	1.1
169.10133	8.1
170.60634	0.9
171.11679	6.8
173.09601	3.8
173.13214	9.1
175.11139	3.7
177.12697	3.9
181.10184	1.8
181.12097	1.0
183.11688	9.0
185.13263	4.5
187.11200	1.5
187.14848	1.6
189.11182	1.5
189.12776	1.6
197.13281	1.8
199.11188	1.0
199.14766	1.4
201.12805	1.4
211.14725	0.9
213.16412	1.2
215.14172	1.1
215.17888	0.9
223.13260	10.9
229.19508	3.1
239.17905	11.1
247.20551	0.9
257.18958	12.0
259.20551	4.6
275.20013	100.0
276.20691	1.1
277.21497	11.0
293.21060	25.7
301.21451	2.0
423.32422	1.6
441.33606	1.8
443.31003	0.9
533.39691	1.5
551.40784	1.8
569.41858	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	604.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01870	26.1
55.05506	18.0
57.03429	16.1
61.02919	8.1
65.03924	3.7
67.05497	48.2
69.03418	9.9
69.07053	34.2
69.74165	1.7
71.04975	7.4
73.02892	7.7
75.04464	2.5
79.05000	1.8
79.05477	71.7
81.03403	22.0
81.07044	87.9
81.62035	1.8
83.04964	21.8
83.08606	7.7
85.02893	38.1
85.06540	3.0
86.03924	1.9
86.06068	2.1
87.04478	1.9
91.03936	3.4
91.05464	96.1
92.09295	2.2
93.03376	2.4
93.06422	2.6
93.07021	62.5
95.04956	30.5
95.08591	31.9
97.02872	10.0
97.06506	19.2
99.04443	12.9
99.08046	2.3
102.67589	2.0
103.05453	8.7
104.70381	1.6
105.03382	2.1
105.07022	71.3
107.04941	26.0
107.08599	28.5
109.02827	2.3
109.06506	29.4
109.10149	11.6
111.04427	11.6
111.08081	3.9
115.05460	9.5
116.06226	2.3
116.10715	7.7
117.06999	54.4
119.04932	2.8
119.08565	36.4
121.06499	20.7
121.10147	20.5
123.08053	30.0
125.05983	2.0
125.09600	2.5
128.06194	12.3
129.05458	3.9
129.06989	49.4
131.04921	9.2
131.08537	66.4
131.09441	3.4
133.06462	18.4
133.10106	18.4
135.04451	3.2
135.08028	38.3
137.05948	2.5
137.09621	15.6
141.06967	22.8
142.07773	2.3
143.08566	26.7
145.06490	12.9
145.10107	37.7
147.04375	3.8
147.08012	21.0
147.11694	3.8
149.05959	4.3
149.09608	22.8
153.06949	2.5
153.09163	4.0
154.07747	2.3
155.08548	22.8
157.06508	4.4
157.10092	17.4
159.08049	25.8
159.11667	15.9
160.74255	1.9
161.06026	1.8
161.09593	15.7
163.03877	13.1
165.07042	3.7
165.09087	8.9
166.07758	3.2
167.08559	9.8
169.10094	29.2
171.08083	7.9
171.11673	11.8
173.09589	17.3
173.13217	2.5
175.07372	2.3
175.11162	3.0
177.09123	3.9
179.08592	2.3
181.10075	13.1
183.11684	10.1
185.09612	9.6
185.13185	7.3
187.11169	28.4
189.09126	1.9
189.12695	3.3
195.11592	2.7
197.09636	3.8
199.11163	13.9
201.12672	12.4
205.12189	3.5
209.13179	2.5
213.09280	2.4
213.12688	19.4
215.10612	9.4
227.10732	2.2
231.13817	7.7
233.11681	2.6
237.16284	1.9
241.50060	1.9
259.09598	4.4
260.09927	3.5
261.16583	2.3
269.19144	2.5
279.17456	4.3
292.67712	1.8
297.18387	26.2
307.15417	8.9
315.19473	31.1
315.22839	3.0
333.20328	2.1
335.06754	2.1
344.24194	7.0
371.22061	10.1
385.17480	1.8
389.23178	100.0
407.24231	73.6
479.66949	2.1
544.31036	2.1
553.40186	2.5
624.36957	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	603.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29643	2.5
53.03935	3.9
54.81862	2.2
55.01856	3.1
55.05507	17.6
57.03437	3.2
57.07065	37.9
60.85273	2.7
64.34960	2.5
67.05494	33.7
69.07050	14.5
71.08618	26.2
79.05475	26.1
81.03410	67.4
81.07047	34.8
83.04961	3.3
83.08592	20.9
85.10146	4.5
91.05458	17.3
93.07036	15.0
95.04951	19.8
95.08601	26.9
97.06580	2.6
97.10122	3.1
98.98438	4.8
105.07032	17.7
107.04938	3.2
107.08581	4.7
109.10149	10.9
117.07024	3.6
119.08566	17.5
121.10143	5.3
123.07951	3.1
129.06990	11.5
131.08534	6.2
133.10095	4.5
135.11697	3.4
147.11746	3.6
149.09601	3.7
155.01012	4.6
155.89745	3.0
157.10144	3.1
163.11212	3.6
168.42778	2.8
179.14217	5.5
193.12263	13.2
201.51491	2.7
275.19833	3.7
291.19485	12.3
379.10156	3.4
505.31793	5.7
505.38828	100.0
511.03973	3.1
627.25470	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	604.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27658	1.3
53.03939	15.3
55.01865	10.0
57.03422	9.3
61.02912	6.4
64.33554	1.4
68.99760	6.2
69.03065	2.4
69.03413	43.5
71.04966	3.1
73.02905	9.8
81.03400	46.6
82.98268	1.3
85.02890	100.0
87.00810	43.0
91.03914	2.7
97.02868	37.9
99.04426	18.5
102.76431	1.5
105.01851	28.3
109.02148	2.3
109.02861	54.1
112.11704	1.2
115.03922	1.5
117.01816	3.3
123.04392	5.1
127.03893	72.8
129.01816	7.6
131.04840	1.6
135.04388	7.4
139.03900	2.4
145.04919	21.6
147.04375	15.6
149.02341	1.7
159.02884	22.8
163.03886	18.8
165.05524	1.3
175.03882	6.1
177.01872	7.1
187.03812	2.8
189.05467	2.6
203.03366	83.4
205.03201	1.6
205.04962	8.6
213.03896	6.3
215.03499	10.1
231.02805	14.2
231.04961	33.1
233.04411	6.7
234.30055	1.4
249.05994	8.4
256.37827	1.7
261.03943	7.9
279.04922	15.4
291.04926	13.8
321.05960	6.5
339.07043	36.1
407.93967	1.5
570.74469	1.5
604.14575	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	604.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01869	24.8
55.05507	12.5
56.87615	1.2
57.03427	10.8
61.02898	5.2
65.03922	2.6
66.10844	1.0
66.98495	1.3
67.05493	37.0
68.64404	1.2
69.03420	11.0
69.07056	28.5
71.04968	6.6
72.94768	1.3
73.02898	2.5
79.05475	51.9
81.03405	12.8
81.07042	53.2
83.04964	12.3
83.08618	2.9
85.02898	30.2
85.06529	1.9
86.06026	1.2
91.03947	1.2
91.05463	52.7
93.03362	1.8
93.07023	45.0
94.07383	1.5
95.04955	17.3
95.08593	17.8
97.02866	7.6
97.06516	30.2
99.04448	8.7
101.02380	2.3
103.05483	2.5
103.84843	1.3
105.07019	51.8
107.04957	17.7
107.08574	23.3
109.02847	1.3
109.06501	17.9
109.10156	8.8
111.04454	11.7
111.08070	2.0
114.37347	1.3
115.05423	6.0
116.10686	5.5
117.07001	35.8
119.08570	20.8
121.06510	13.4
121.10114	10.9
123.08035	20.0
123.11692	1.8
127.03915	1.6
128.06219	2.8
129.05423	2.6
129.06985	27.1
130.07803	1.9
131.04880	2.1
131.08545	45.6
131.99084	1.5
133.06467	10.9
133.10133	10.6
135.04387	4.5
135.08060	20.5
135.11658	1.3
137.05954	2.6
137.09598	13.2
141.06970	15.9
142.07719	2.6
143.08536	19.0
145.06491	10.7
145.10112	11.9
147.04431	2.1
147.08023	9.4
147.11652	2.9
149.05916	2.1
149.09589	11.6
153.06966	2.3
153.09114	1.9
154.07797	1.9
155.08563	11.7
157.06447	4.9
157.10114	10.8
159.08035	12.8
159.11668	9.8
161.02296	1.5
161.09579	7.2
163.03888	21.1
164.04146	2.8
165.06947	1.8
165.09065	5.2
166.07796	2.1
166.80049	1.3
167.08569	8.8
169.10085	13.5
171.08051	2.9
171.11668	9.2
173.02339	8.8
173.09532	8.9
173.13216	1.6
175.11240	2.9
177.09094	2.8
179.08492	2.4
181.10095	7.6
183.11627	4.5
185.09581	5.6
185.13229	2.5
187.03807	1.4
187.11148	15.0
195.11665	4.8
197.09610	2.1
198.18387	1.7
199.11134	5.1
201.12683	4.5
205.12152	2.3
209.13295	2.2
212.16489	2.3
213.05428	1.9
213.12697	7.5
215.07086	9.4
215.10616	6.9
219.13622	1.4
231.13730	6.9
251.12767	1.7
259.09641	24.5
260.09891	2.9
277.10727	2.8
279.17325	2.5
297.18585	9.8
307.15280	2.0
314.68283	1.4
315.19516	16.4
344.24298	4.4
355.15341	8.1
371.22168	4.4
373.16357	2.1
389.23181	49.4
407.24219	100.0
423.15424	1.4
439.15964	2.4
442.31189	1.4
569.29156	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	602.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44177	3.0
53.03928	7.3
55.01849	4.2
55.05507	50.0
67.05496	42.5
69.07047	17.5
79.05478	42.3
81.03413	16.0
81.07050	43.5
83.04954	4.2
83.08614	41.0
91.05463	42.5
93.07022	41.0
95.04945	43.1
95.08583	24.9
97.06568	6.8
105.06995	44.3
107.04917	19.0
107.08585	33.1
109.06515	5.9
109.10155	4.6
117.06998	17.9
119.08583	33.6
121.10150	19.6
125.09560	6.0
131.08525	20.9
133.10144	25.2
135.11703	9.3
137.09564	3.8
144.61639	4.0
145.10141	32.6
147.08037	5.8
149.09669	32.8
155.08640	4.4
159.11691	5.0
163.11150	47.2
171.11659	6.0
173.09546	5.9
223.13257	17.5
239.17856	8.0
257.19025	5.0
275.19998	100.0
293.21124	58.7
313.70053	4.3
341.91058	4.2
522.43646	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	603.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05498	0.6
55.37884	0.1
57.03419	0.2
67.05485	0.5
67.90689	0.1
69.03421	1.1
69.07059	1.5
69.98018	0.1
71.04970	0.1
71.23360	0.1
77.04498	0.1
79.05474	0.6
80.05000	17.5
81.03397	0.5
81.05787	0.2
81.07030	0.7
83.04973	0.5
83.08588	0.1
85.02874	0.9
87.00816	0.4
91.05444	0.4
93.05763	0.2
93.07013	0.7
94.06517	0.2
95.04861	0.2
95.08596	0.4
96.04475	0.1
96.08097	0.2
97.02895	0.8
97.06511	2.4
97.10153	1.0
98.06863	0.3
99.04430	0.2
105.07022	0.6
106.06532	0.4
107.08588	0.5
109.02894	0.5
109.10152	0.4
111.03783	0.1
111.04419	1.1
111.11715	0.1
112.04720	0.1
117.06947	0.2
119.08567	0.7
121.10123	0.5
124.07573	100.0
125.07906	0.2
127.03905	0.4
131.08485	0.1
133.10147	0.5
135.04384	0.2
135.11667	0.2
136.04753	0.1
137.02330	0.6
137.09575	0.2
139.11166	0.5
145.02844	0.2
145.10132	0.1
147.04437	0.1
149.07404	0.2
157.12260	0.1
159.04382	0.1
159.11745	0.1
161.02322	0.2
163.03882	2.0
163.07460	0.2
164.04158	0.4
173.02327	0.9
174.02548	0.1
191.03392	0.1
191.17979	0.1
210.22321	0.1
215.06975	1.4
216.07314	0.3
241.08495	0.1
259.09579	2.8
260.09982	1.2
261.12491	0.2
277.10568	0.1
285.12292	0.1
301.21597	0.4
319.22629	0.2
337.23679	0.7
355.24796	0.2
383.18066	0.2
421.14841	0.4
422.15222	0.5
528.40826	0.1
603.28516	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	602.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.01860	18.0
55.05506	61.9
57.07059	4.0
67.05493	56.3
69.07054	21.1
74.46606	2.8
76.83507	3.1
79.05482	55.0
81.03403	19.3
81.07038	48.8
83.04964	8.5
83.08610	45.6
88.72194	3.2
91.05457	49.2
93.07034	50.1
95.04950	61.7
95.08587	33.3
97.06525	7.9
97.10123	3.8
103.30750	3.2
104.37546	3.2
105.07025	44.4
107.04947	26.2
107.08572	33.6
109.06512	13.6
109.10130	15.9
111.08091	4.6
117.06993	23.3
119.08545	42.7
121.06474	8.3
121.10138	19.9
125.09601	6.4
129.06967	6.2
131.08524	24.6
133.10117	38.2
135.08047	14.2
135.11687	17.7
145.10129	41.9
147.08141	5.3
147.11711	20.6
149.09564	44.1
151.11235	4.1
155.08595	5.0
159.11681	17.9
161.09521	4.0
161.13245	4.9
163.11156	46.3
173.09532	5.7
189.04605	4.1
223.13196	25.6
228.16495	3.9
239.17844	7.1
257.19022	5.1
275.20029	100.0
278.88229	3.6
293.21066	57.9
341.30359	5.1
391.48508	3.8
425.02597	3.5
592.46313	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	602.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.81684	0.7
55.01867	7.9
55.05505	33.8
57.03431	1.7
57.07069	1.6
59.63194	0.6
65.03918	1.1
67.05495	32.9
67.66215	0.8
69.03426	1.2
69.07053	20.7
69.07404	1.2
70.11680	0.8
71.04963	1.5
75.06754	0.7
76.10516	0.7
77.43271	0.7
79.05479	32.6
81.03400	10.9
81.07042	38.6
83.04971	9.8
83.08610	26.5
83.29349	0.7
85.06536	1.5
91.05464	29.8
93.07024	33.4
95.01318	0.8
95.04951	39.1
95.08588	25.8
97.06525	5.2
97.10161	4.7
105.07016	36.2
107.04947	18.1
107.08585	24.0
109.02035	0.7
109.06504	12.3
109.10146	11.1
111.08072	4.0
117.06995	15.0
119.08561	26.3
119.09386	1.3
121.06506	9.6
121.10129	17.5
123.08048	6.1
123.11683	1.6
125.09605	4.3
129.07010	4.6
131.08545	19.6
133.06485	1.1
133.10114	20.8
133.11032	1.2
135.08008	5.8
135.11627	7.0
137.09563	4.4
141.06955	2.3
143.08545	5.0
145.06485	3.6
145.10114	25.5
145.15082	0.7
147.08070	5.1
147.11670	13.2
149.09613	25.9
149.13283	3.2
151.11163	5.1
155.08569	4.8
157.10130	4.1
159.08008	0.8
159.11682	10.6
161.09630	1.6
161.13255	4.9
163.11166	28.0
163.14835	1.0
165.12740	5.1
169.10123	3.7
171.11682	4.0
173.09589	8.7
173.13266	5.0
175.11201	2.9
175.14688	0.9
177.12772	2.9
183.11705	3.6
187.11172	1.8
189.11163	1.3
189.12706	1.3
189.34729	0.8
191.10571	1.3
191.14313	3.0
193.12296	1.0
197.13278	3.1
201.12790	1.4
205.12250	1.0
215.18039	1.0
219.13800	1.0
223.13272	9.4
229.19594	1.3
233.18985	0.9
239.17873	6.4
247.20459	2.7
257.18906	13.0
275.20010	100.0
293.21066	83.1
313.27322	0.8
473.62701	0.8
504.37888	0.8
585.41144	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	602.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	11.1
58.06580	3.1
59.05003	1.5
59.87752	1.0
67.05510	1.9
70.06579	30.3
71.08623	3.1
79.05495	1.9
81.07019	1.3
88.07616	24.4
91.05473	2.7
95.04942	1.5
102.09174	19.2
105.07032	1.9
119.08563	1.6
149.02335	58.1
152.69528	1.1
169.59189	1.6
177.05576	1.6
193.04955	75.7
199.64935	1.4
200.20073	51.9
237.07547	21.2
269.04648	1.7
273.07166	1.4
297.03949	2.3
313.07169	2.3
316.11594	1.3
341.06479	11.9
359.07681	6.7
385.09113	30.6
424.80167	1.3
429.11780	33.6
463.82660	1.2
563.62701	1.6
602.29553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98201	3.2
54.81987	3.2
55.05502	5.6
57.03419	3.9
67.05494	8.6
69.03405	7.3
71.04982	18.5
79.05478	14.9
81.03420	4.3
81.07035	17.6
85.02874	8.0
91.05463	22.1
93.07004	25.4
95.04910	5.2
95.08533	11.4
97.02895	7.7
105.07005	36.3
107.08565	18.6
109.02847	3.9
109.10149	7.0
117.07058	5.6
119.08583	16.3
121.10107	12.4
123.11694	4.3
127.03897	3.4
129.06966	3.8
131.08533	8.3
133.10110	35.2
135.63704	4.0
145.10133	15.9
147.11691	8.1
149.02319	4.6
159.11679	7.7
161.09586	13.5
163.03908	3.9
163.11093	6.2
173.13263	4.1
185.13214	4.4
187.14838	5.0
191.14288	6.9
193.04872	6.3
215.14442	3.9
232.19025	3.6
283.20557	5.6
301.21564	100.0
319.22415	6.7
385.09012	4.6
602.29443	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	602.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79542	0.3
53.03926	0.7
54.07654	0.4
54.44745	0.3
55.01856	0.7
55.05500	0.9
57.00768	0.3
57.03425	0.7
61.02895	0.3
67.05482	0.7
69.03420	3.0
69.07047	1.9
71.01350	0.4
71.04976	1.5
77.79367	0.3
79.05498	1.2
80.05003	20.1
81.03396	3.1
81.05740	0.3
81.07047	0.6
82.27953	0.3
83.04967	0.5
85.02874	0.8
86.06055	0.4
91.05487	0.4
93.07013	0.7
95.08579	0.4
96.08093	0.5
97.02875	3.2
97.06512	11.2
99.04478	0.6
105.07021	0.6
106.06569	0.4
109.02873	0.7
109.10184	0.4
110.64854	0.4
111.04430	11.1
119.08568	0.5
124.07574	100.0
127.03897	1.8
133.10109	0.8
134.03558	0.3
135.04399	0.6
137.02336	21.4
137.03415	1.8
137.05867	0.4
141.02940	0.3
145.02808	0.4
145.05154	0.3
145.10077	0.4
147.04427	2.2
147.11647	0.5
149.05974	0.4
150.05472	3.0
157.06400	0.4
159.04393	0.4
161.02310	2.4
161.05981	0.7
163.03877	10.3
173.02338	4.3
173.05960	0.8
175.03865	0.6
181.04858	0.7
191.03345	0.4
193.05032	0.4
195.08022	0.7
197.06061	1.4
199.03833	0.4
207.02827	3.9
212.16490	2.0
213.05496	0.5
215.07050	7.9
217.04863	1.5
241.08597	2.4
254.17592	0.5
258.11249	1.6
259.09634	16.2
272.18518	2.0
273.63885	0.4
286.10834	0.5
311.12918	0.4
355.15402	0.6
403.13806	0.5
421.14810	3.6
439.15845	0.9
440.29980	0.5
535.17780	0.6
602.35303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.01860	12.8
55.05508	37.1
57.07068	4.6
58.06584	9.5
67.05495	38.6
69.03414	4.6
69.07050	17.9
71.04963	3.1
78.53282	1.9
79.05479	59.9
81.03402	9.8
81.07042	100.0
83.04937	15.9
83.08632	20.4
85.02896	3.8
91.05467	45.4
92.09338	4.2
93.07027	44.5
95.04955	42.7
95.08580	25.3
97.06511	4.5
97.10149	12.1
103.05517	1.8
105.07019	42.0
107.04956	11.9
107.08580	23.6
109.06515	34.5
109.10130	11.5
111.04417	13.3
111.08047	3.4
115.05386	2.4
117.07003	24.3
119.08550	41.1
121.06502	15.1
121.10101	20.6
123.08073	3.8
125.09602	7.7
128.43570	2.0
129.06989	8.8
131.08545	22.3
133.06512	2.6
133.10126	12.5
135.08035	4.4
135.11684	12.9
143.08533	8.1
145.10133	27.6
147.08054	18.4
147.11705	4.2
149.09579	16.9
155.08527	2.6
156.09308	2.2
157.10133	8.3
158.12775	2.0
159.08075	3.3
159.11656	12.5
161.09584	4.7
161.13223	2.7
163.11151	20.5
165.12750	2.7
169.10071	3.2
171.11667	9.1
173.09619	3.9
173.13255	2.4
175.11154	2.1
181.12196	4.4
187.11226	2.3
189.11278	2.1
191.10620	2.8
197.13138	2.7
223.13229	12.7
236.14870	18.8
260.29379	2.2
273.18445	16.8
275.19958	23.5
291.19528	82.8
292.19809	2.3
293.21066	13.7
600.44537	3.8
601.44568	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	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43813	0.1
51.89953	0.2
53.03928	0.2
55.42956	0.2
58.58048	0.2
64.62848	0.2
65.34837	0.2
67.05485	1.2
76.26227	0.2
79.05467	0.9
80.04997	0.8
81.05798	0.3
81.07047	1.5
85.06532	0.3
87.18806	0.2
91.05457	0.4
92.09238	0.2
93.07047	0.3
94.06543	3.9
95.04954	0.3
105.07000	1.0
106.06549	1.6
107.07317	16.1
108.08091	0.3
109.06504	0.3
110.66879	0.2
120.08124	0.4
121.08878	0.8
122.06050	3.5
122.09643	100.0
123.06788	0.3
124.07549	0.7
124.11246	0.2
135.06761	1.3
136.07549	10.6
144.07980	0.2
146.48357	0.2
150.09122	19.4
151.09874	1.1
161.04523	0.2
175.04889	0.3
186.05556	0.3
190.08669	0.2
199.89487	0.2
201.10155	0.3
203.11754	0.3
207.29666	0.2
211.12402	0.2
212.06996	0.2
215.11705	0.2
218.85695	0.2
225.10214	0.3
226.08707	0.3
227.08130	0.4
229.09654	1.3
231.11192	1.8
241.09697	0.8
243.11345	0.9
244.06001	1.0
245.09204	0.8
253.09647	0.8
255.07617	0.9
257.09174	7.1
257.12347	0.2
257.12924	0.2
259.10605	0.8
267.11200	0.5
268.12106	0.3
269.09128	1.1
271.10715	1.1
277.11853	0.8
282.07477	0.3
283.10760	0.3
285.12326	0.4
287.10153	0.3
295.10626	0.4
298.09348	0.9
299.10220	2.9
302.12527	0.9
303.13293	1.7
311.09958	0.2
313.11789	4.4
316.10422	0.4
317.11252	6.1
317.14667	0.4
329.11288	4.7
330.12146	2.9
331.12827	2.2
398.16925	0.3
450.16669	0.3
452.18051	16.8
462.19949	0.3
480.20929	0.3
573.26978	4.4
583.25232	0.4
601.26483	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01866	3.4
55.05504	23.9
56.09621	2.6
57.07061	13.2
65.03942	4.0
67.05499	33.5
69.03426	7.0
69.07048	19.3
70.48485	3.0
79.05476	35.8
81.07041	39.9
83.04967	7.6
83.08620	7.7
85.06538	13.1
89.06017	16.5
91.05471	55.2
93.07029	72.5
95.04959	27.4
95.08583	34.3
97.06538	12.5
100.08770	2.8
105.07011	100.0
107.04932	4.7
107.08585	53.7
109.06497	14.6
109.10175	25.9
111.04475	3.4
111.08050	3.6
115.05402	4.0
117.06981	28.0
119.08575	75.9
121.06497	6.2
121.10136	48.9
123.08027	26.5
125.09631	14.2
128.06210	20.1
129.06975	27.6
130.07776	5.5
131.08551	44.7
133.06503	5.2
133.08533	3.9
133.10104	34.9
135.08015	7.3
135.11688	5.4
137.09576	5.3
141.06999	12.7
142.07750	31.2
143.08566	51.2
144.09311	15.1
145.06500	4.1
145.10106	56.8
147.08037	18.3
147.11685	19.1
149.09618	14.8
153.06949	3.6
155.08543	23.8
155.10626	3.6
156.09340	31.2
157.10117	70.6
158.10858	11.6
159.08064	17.0
159.11632	37.7
160.86647	3.1
161.09618	15.0
163.11185	4.4
165.06964	7.6
165.09074	4.7
166.07745	4.5
167.08536	14.1
167.10655	6.5
168.09363	4.8
169.10136	36.9
170.10899	16.3
171.11673	38.6
173.09631	5.1
173.13234	20.3
175.11159	14.6
179.08578	16.9
181.10115	20.7
181.12227	3.3
182.10907	13.6
183.11711	29.6
185.09679	4.3
185.13205	11.8
187.11113	5.7
187.14784	4.5
189.12685	7.8
192.09369	4.1
193.10078	17.9
194.10889	5.0
195.11679	26.5
196.12466	13.6
197.13274	20.4
199.11218	5.5
199.14816	6.8
201.12759	5.2
203.14348	4.9
205.10150	5.6
206.10905	6.3
207.11708	15.9
208.12447	12.7
209.13228	20.1
210.14041	4.9
211.11151	4.3
211.14799	12.8
213.12646	5.1
215.14354	4.4
217.10162	4.7
219.11627	5.0
220.12494	4.7
221.13335	11.4
221.15356	7.4
223.14769	12.1
227.18163	3.2
231.11603	3.4
233.13177	13.3
233.15393	17.5
235.14806	5.1
237.16386	16.7
246.14023	4.1
247.14835	5.0
249.16435	6.7
255.17468	21.3
273.99686	3.5
281.18845	5.8
295.20645	3.9
299.20007	5.5
346.37732	3.8
364.93848	3.5
383.25833	4.4
600.41467	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02347	1.9
52.55884	2.4
52.68535	2.2
53.03921	3.3
53.33882	1.8
55.01868	2.4
55.05505	15.7
56.77932	2.3
57.07066	13.5
59.04987	5.0
59.82984	2.5
65.03931	2.9
67.05490	26.4
69.03410	18.4
69.06752	2.4
69.07046	19.1
79.05482	38.4
81.03430	2.9
81.07050	43.5
83.04959	10.9
83.08615	5.4
85.06520	3.8
89.06001	3.9
90.06150	2.3
91.05460	49.8
93.07024	76.5
93.24551	2.2
95.04954	32.7
95.08587	27.8
96.32647	2.3
97.06526	9.5
103.05470	2.9
104.32474	2.5
105.07016	100.0
107.08591	55.9
109.06496	21.0
109.10149	13.0
110.06964	2.3
111.08029	4.0
115.05449	2.9
115.75573	2.7
117.06995	29.4
119.08568	76.3
121.06458	21.3
121.10110	41.3
123.08044	25.5
123.11709	3.3
125.09583	4.8
128.06204	14.8
129.07008	25.8
130.07787	10.0
131.08543	53.5
132.09354	3.4
133.06499	6.1
133.10091	50.0
135.08025	26.2
135.11687	11.7
137.09647	18.9
139.46675	2.8
141.06978	5.3
142.07767	35.0
143.08536	56.2
144.09331	15.8
145.06479	4.9
145.10103	52.8
147.08037	34.1
147.11731	11.7
149.09572	21.3
151.07516	17.6
154.07800	4.1
155.08554	24.2
156.09322	22.5
157.10118	76.8
158.10866	14.8
159.07997	19.0
159.11684	38.4
160.08844	4.1
161.09624	24.5
161.13217	9.6
163.11237	11.7
165.07021	6.0
165.09070	37.9
167.08594	13.3
167.10759	3.0
168.09323	12.6
169.10072	31.0
170.10921	13.1
171.11671	39.9
172.08760	2.8
172.12411	4.7
173.09584	13.2
173.13217	18.6
175.11119	26.1
175.14851	3.1
179.08521	11.2
179.10735	3.8
180.09338	4.1
181.10115	18.0
181.12195	3.8
182.10910	9.9
183.11646	21.9
184.12575	4.5
185.09644	6.0
185.13164	24.8
186.10330	3.4
187.11224	9.7
189.12730	9.5
190.13531	6.0
192.09363	3.0
193.10156	12.0
193.12239	12.9
194.10939	9.8
195.11687	28.6
196.12444	9.6
197.13240	29.0
198.14023	3.4
199.11101	6.4
201.12831	3.2
203.10434	2.8
203.14272	22.9
206.10918	10.3
207.11737	14.9
207.13835	11.4
208.12486	4.7
208.14478	4.9
209.13293	17.0
211.11168	4.5
211.14774	18.5
213.12674	5.4
215.14369	5.7
219.11737	4.8
219.13902	3.1
220.12480	4.1
221.13260	11.0
221.15384	50.1
223.11346	3.0
223.14864	11.3
225.12701	3.1
225.16357	5.2
227.14316	2.7
231.11571	3.0
233.13391	6.8
233.15359	19.9
235.14795	10.8
237.12602	4.7
237.14528	23.2
239.14276	5.9
245.13239	3.6
246.14020	3.0
247.17026	5.8
248.13982	4.7
249.16321	6.1
253.12071	3.1
253.15916	11.1
255.17319	18.4
261.16302	3.9
271.16971	4.2
277.19360	2.9
279.17285	3.7
285.18549	5.0
286.19257	11.8
287.20132	4.5
299.20047	10.3
303.19492	35.6
312.20306	2.7
313.21671	10.9
325.21591	13.3
337.21530	5.4
352.23868	57.3
365.24738	13.5
377.24750	5.7
390.00275	2.7
487.31604	3.0
502.33914	10.7
503.35028	4.2
507.35120	3.7
520.35199	44.9
585.40283	3.1
600.41260	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.4
55.05504	27.1
57.07060	5.2
59.23599	3.7
62.80534	4.0
64.33676	4.2
64.95044	3.7
67.05493	31.1
68.62770	3.8
69.03422	10.0
69.07040	22.8
69.78719	4.5
79.05482	41.5
81.07042	42.6
81.48836	4.5
83.04966	23.2
83.08608	7.7
85.06554	7.8
91.05465	61.9
92.64655	4.4
93.07025	56.9
95.04935	23.0
95.08580	30.8
97.06536	11.7
100.84238	4.7
105.07021	100.0
107.08578	65.0
109.06483	19.7
109.10144	21.6
117.07019	27.3
118.30553	4.0
119.08551	82.7
119.73892	5.1
121.06468	11.1
121.10128	44.7
123.08067	34.0
125.09505	5.3
128.06207	21.7
129.07011	33.3
130.07744	8.2
131.08557	52.0
133.10117	38.7
135.08034	10.6
135.11667	10.6
137.09647	8.7
141.06981	20.6
142.07806	37.8
143.08540	68.5
144.09326	10.2
145.06448	4.7
145.10094	67.1
147.08064	9.8
147.11737	16.5
149.09619	11.3
151.07520	7.8
155.08551	26.6
156.09373	29.3
157.10129	71.0
158.10852	8.4
159.08072	26.3
159.11673	43.8
160.08775	9.9
161.09610	6.6
163.11127	5.5
165.07051	6.2
165.09097	6.2
167.08606	7.0
167.10658	10.0
168.09338	18.1
169.10056	39.9
170.10950	8.6
171.11638	51.1
173.13318	17.8
175.11188	7.3
179.08574	19.3
180.09314	9.4
181.10124	28.4
182.10912	10.3
183.11719	26.5
184.12473	6.4
185.13258	22.8
192.09409	6.0
193.10167	26.6
194.10875	9.8
195.11710	30.3
196.12524	8.0
197.13252	31.4
199.14853	18.9
203.14340	6.8
207.11671	19.8
209.13284	20.2
211.14877	24.1
219.11635	6.5
221.13228	17.9
221.15265	10.3
223.14774	9.1
227.14246	4.7
233.13182	10.3
233.15364	23.9
235.14842	8.9
237.16365	7.4
243.11536	5.9
255.17473	28.4
261.16422	6.0
522.54150	7.2
600.41388	9.9
602.92578	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
55.01865	2.8
55.05504	24.9
55.25696	2.7
57.07060	11.1
59.04979	3.7
67.05500	30.6
69.03419	16.3
69.07050	11.8
69.68230	2.5
71.05003	3.4
79.05467	30.7
79.62352	2.3
81.07048	36.2
83.04970	20.7
83.08613	5.6
85.06540	4.3
91.05460	64.7
93.07027	73.0
95.04978	21.8
95.08576	30.2
97.06529	6.0
103.05499	3.2
103.23687	2.3
105.07010	100.0
105.07657	5.2
106.07863	3.7
107.08573	54.1
109.06500	22.7
109.10137	23.8
115.05429	6.0
116.06190	2.8
116.26060	2.6
117.07008	23.5
119.04896	2.9
119.08565	89.7
121.06465	10.2
121.10126	35.5
123.08022	31.3
125.09637	5.1
127.40636	2.5
128.06209	17.4
129.06975	29.9
130.07751	10.8
131.08549	46.1
133.06482	5.6
133.10115	53.0
135.08066	20.0
135.11691	10.9
137.09613	13.0
141.06969	10.3
142.07756	41.7
143.08537	61.1
144.09340	13.0
145.06454	3.6
145.10101	61.5
147.08015	28.2
147.11642	20.4
149.09557	22.3
151.07559	6.2
153.06932	3.7
154.07753	4.5
155.08513	26.7
156.09311	34.0
157.10123	63.7
158.10895	6.1
159.08064	16.4
159.11668	36.6
160.08908	3.3
161.09599	19.4
161.13210	3.9
163.11142	4.7
165.06993	5.3
165.09096	18.6
165.85721	3.2
167.08566	12.6
167.10660	11.5
168.09332	5.7
169.10100	33.1
170.10907	15.9
171.11647	35.1
172.12573	2.8
173.09647	5.1
173.13234	13.3
175.11147	19.7
175.14951	4.1
179.08536	20.4
180.09344	12.4
181.10065	24.3
182.10880	14.3
183.11656	26.0
185.09531	5.7
185.13243	23.8
187.11191	4.4
187.14853	3.9
189.12775	6.6
190.13666	2.7
191.14325	4.1
192.09291	6.2
193.10088	19.0
193.11975	3.9
194.10831	12.7
195.11708	29.3
195.18649	3.0
196.12474	5.6
197.09578	4.6
197.13255	24.6
198.13846	2.7
199.11128	4.7
199.14819	6.8
201.12697	4.4
203.14308	14.6
205.10161	3.6
206.10953	3.8
207.11703	21.2
207.13788	13.8
208.12498	3.7
209.13211	23.4
211.11176	5.6
211.14816	17.6
213.12831	8.9
215.14340	5.0
215.79488	3.6
218.10924	3.3
219.11742	5.4
219.13747	3.5
220.12428	3.5
221.13228	11.0
221.15340	31.9
223.14822	18.3
225.16379	4.3
233.13210	10.9
233.15359	21.0
234.13911	4.2
235.14867	11.0
237.12613	4.1
237.14711	11.1
237.16705	6.1
247.14748	5.8
251.17896	4.1
255.17583	19.8
261.16281	3.5
263.17862	4.0
269.18903	3.9
270.19650	5.4
279.44687	2.7
281.18985	5.0
286.19223	10.5
287.20197	4.4
289.53857	3.1
303.19482	15.6
308.24857	2.8
313.21573	3.6
315.20959	3.8
325.21683	5.4
338.83893	3.0
352.23938	29.0
365.24750	4.8
374.82169	2.8
383.25677	5.7
393.71948	3.4
502.34183	3.5
507.34589	4.7
520.35297	24.9
556.53894	3.6
600.41180	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.4
55.85511	5.1
57.07056	6.9
59.04992	6.8
67.05502	22.8
69.03415	20.1
69.07065	7.4
77.89023	4.4
79.05486	28.6
81.07046	34.4
83.04964	6.6
83.08598	6.0
86.81109	4.5
89.06064	7.2
91.05472	58.1
93.07008	81.0
93.07480	4.9
94.13146	4.9
95.04939	34.8
95.08583	26.9
105.07015	100.0
107.08567	53.0
109.06524	8.0
109.10159	19.7
117.07019	26.8
119.08581	79.3
121.06493	18.9
121.10111	49.9
123.08066	23.6
128.06227	9.8
129.06981	25.2
130.07793	5.7
131.08546	44.9
133.06546	5.0
133.10109	50.9
135.08041	33.6
136.67484	5.1
141.06976	5.8
142.07767	35.7
143.08575	62.4
144.09380	10.7
145.10092	60.9
147.08057	44.5
147.11700	11.6
149.09618	12.0
151.07562	22.8
155.08551	10.3
156.09334	22.9
157.10112	87.6
158.10835	8.3
159.08066	20.6
159.11644	34.6
161.09589	10.4
163.11121	11.5
165.07043	9.9
165.09102	33.7
167.10669	5.3
169.10085	25.3
171.11670	26.6
173.09592	8.3
173.13177	6.4
175.11171	18.4
179.08472	8.9
180.09283	6.0
181.10097	20.5
182.10933	6.0
183.11679	24.5
185.09575	5.2
185.13268	24.0
189.12767	6.3
193.10159	19.6
193.12129	5.9
194.10872	5.0
195.11697	23.2
196.12360	6.7
197.13272	10.6
203.14291	23.9
205.10085	6.2
206.10936	5.7
207.11752	10.9
207.13756	12.0
209.13260	10.9
211.11183	6.6
211.14844	9.0
213.12747	11.9
219.11685	7.3
221.13292	17.2
221.15370	46.4
223.11255	8.7
223.14796	6.2
233.15399	20.5
234.15932	6.6
236.14886	6.8
237.14784	10.3
248.13977	8.2
249.16492	6.5
249.87946	5.3
255.17369	21.8
286.19327	7.1
299.19965	18.0
303.19434	48.2
313.21390	5.6
337.21292	7.2
352.24008	67.8
502.34741	6.5
520.35486	34.9
600.41742	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87149	11.9
54.17385	10.3
57.03411	12.1
58.02638	13.5
67.05477	15.4
69.03422	14.4
79.05463	17.6
81.07079	16.3
85.06531	13.9
89.06026	30.8
91.05463	31.4
91.68410	12.4
93.07041	61.4
95.08550	21.7
102.16023	11.5
105.07023	100.0
107.08563	53.9
109.06513	16.4
109.35958	14.0
117.07015	14.4
119.08559	95.6
121.10094	25.0
121.25015	14.8
123.08105	23.2
125.05952	16.4
129.06972	16.4
131.08519	58.1
133.08595	13.3
133.10088	58.5
135.08047	26.9
137.09523	18.0
142.07788	23.3
143.08540	54.6
145.10080	82.6
147.08040	28.8
149.09557	13.6
155.08536	15.1
156.09204	19.9
157.10114	30.2
159.11653	19.3
163.11128	28.3
165.09085	84.8
166.89632	12.7
171.11700	30.4
173.13287	12.4
175.11174	25.7
187.11105	19.0
193.12180	19.2
197.13208	15.4
201.12817	14.3
203.10632	13.9
203.14494	24.1
207.13824	13.1
211.14799	14.2
221.15402	71.9
259.16965	15.0
287.19772	15.6
299.19962	19.5
325.21390	15.7
340.24002	24.9
351.00168	16.6
427.28616	18.5
440.29150	59.3
520.35413	71.5
533.65570	14.5
600.41058	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.5
57.07067	20.1
59.04989	3.4
61.27335	1.8
65.03948	1.8
67.05494	17.1
69.03412	14.9
69.07047	10.0
70.43935	1.8
79.05480	20.8
80.06242	2.2
80.21558	1.6
81.07047	25.7
83.04956	11.1
85.06509	11.0
91.05467	50.1
92.06231	3.8
93.07023	61.2
95.04950	18.4
95.08574	26.7
97.06477	4.5
103.05406	3.3
105.07011	81.7
106.07816	3.8
107.08582	34.6
109.06514	16.6
109.10072	5.0
115.05474	2.4
117.07000	23.6
119.08557	100.0
120.09358	2.2
120.49770	2.1
121.06483	10.8
121.10122	32.2
122.63874	1.8
123.08058	23.6
125.05957	13.0
128.06183	8.0
129.06992	18.9
130.07751	10.0
131.08540	41.8
132.09311	5.0
133.06470	8.2
133.10103	38.0
134.10883	3.5
135.08037	30.0
135.11639	4.0
137.05951	3.6
137.09587	23.6
139.07529	3.3
141.06987	3.3
142.07762	17.6
143.08537	38.3
144.09303	13.4
145.10120	69.3
147.08038	45.2
147.11667	9.4
149.09610	26.0
151.07530	21.0
151.11263	2.1
155.08578	12.0
156.09343	18.0
157.06587	2.1
157.10095	48.9
158.10773	3.9
159.08023	12.8
159.11691	34.2
160.08858	3.4
161.09567	16.8
161.13200	7.0
163.11113	25.0
165.09085	49.1
166.09360	1.9
167.08600	2.9
168.09288	3.8
169.10074	24.6
170.10864	8.0
171.07944	3.5
171.11627	20.9
172.12329	2.4
173.09511	14.9
173.13208	11.8
175.11176	32.5
177.09019	2.6
177.12672	3.0
178.09895	2.7
179.08492	3.3
180.09251	3.7
180.11365	2.4
181.10155	11.1
181.12233	17.0
182.10886	4.0
183.11650	21.4
185.09659	3.7
185.13206	12.5
187.11139	11.4
189.12689	14.8
190.13503	13.2
190.15065	1.9
191.10664	10.6
191.14221	2.1
192.09291	1.9
193.10332	5.3
193.12192	17.0
194.10822	4.5
195.11705	15.8
196.12483	3.4
197.09615	2.4
197.13203	13.3
199.11075	10.6
199.14838	3.1
201.12700	8.7
203.14270	23.9
206.10970	2.5
206.13309	2.1
207.11772	4.2
207.13779	11.1
209.13251	14.8
211.11131	8.1
211.14725	8.1
213.12738	3.9
219.13754	13.2
221.13300	4.5
221.15311	62.4
223.14804	4.4
225.12695	4.0
225.16272	4.1
227.14264	6.9
229.15768	3.9
233.13080	2.9
233.15285	3.8
234.16133	10.2
237.12753	3.4
237.16229	2.8
239.14232	2.3
241.15816	4.3
247.16914	18.9
249.16386	2.4
251.14369	2.7
253.15907	3.1
259.16937	3.9
271.16974	7.7
272.17621	2.2
274.19250	9.8
287.19962	9.7
297.18509	3.0
299.20084	18.0
311.20117	2.9
312.20630	7.9
313.21414	9.2
325.21558	18.6
327.23346	2.8
337.21350	2.5
339.23013	4.8
340.23877	19.3
352.23999	22.6
365.24667	8.6
413.26682	4.2
419.29077	4.4
425.26892	15.2
426.27411	3.7
427.28317	14.0
440.29141	55.2
473.35626	2.3
520.35303	41.4
525.10828	2.2
583.28339	2.0
600.40997	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31826	3.8
54.12844	3.6
54.19028	4.1
55.05496	18.0
57.03410	3.4
57.07065	35.7
62.80573	3.8
67.05491	39.3
69.03411	10.0
69.07056	6.9
69.25652	4.2
70.05403	4.0
79.05473	42.5
81.03410	7.4
81.07024	42.1
81.14780	4.1
83.04939	10.0
83.08577	4.7
85.06526	4.1
87.21944	4.3
89.05993	7.9
91.05465	63.0
93.07021	59.7
95.04941	27.6
95.08614	35.9
97.06500	6.8
105.07013	100.0
107.08595	37.3
109.06522	10.6
109.10142	8.0
115.05426	5.4
117.06993	41.5
119.08556	98.6
121.06446	8.6
121.10117	36.8
123.08027	27.9
125.05956	10.6
128.06197	5.1
129.06972	21.6
131.08548	48.0
133.06445	9.9
133.08546	5.2
133.10126	33.6
135.08037	29.6
135.11635	8.9
137.05977	5.9
137.09570	21.6
141.06944	7.2
142.07762	19.3
143.08563	46.8
144.09335	10.0
145.10103	78.9
147.08057	47.6
147.11722	6.2
149.09599	19.4
151.07504	17.6
155.08542	25.3
156.09317	17.3
157.10115	64.6
159.08041	18.0
159.11684	33.9
160.08760	5.6
161.09592	20.4
163.11169	30.4
165.09079	63.5
167.08595	4.9
169.10106	20.6
171.11626	26.4
173.09599	19.0
173.13237	10.4
175.11159	37.0
181.10085	7.9
181.12204	20.9
182.10896	7.0
183.11707	25.1
184.12511	6.2
185.13152	11.1
187.11156	9.6
191.10664	6.3
193.12305	8.1
194.10858	4.9
195.11739	15.7
197.13237	10.8
199.11151	8.9
201.12787	8.4
203.14275	23.1
207.13777	10.0
209.13121	5.1
211.14919	6.4
219.13690	10.4
221.13332	8.4
221.15340	76.9
223.11060	6.5
225.12828	7.5
234.16093	16.7
241.15822	6.2
247.16832	23.3
259.16983	7.8
271.17105	5.8
274.19241	5.6
299.19989	19.6
311.20264	6.3
312.20612	7.7
313.21445	11.0
313.27328	18.5
325.21564	22.2
340.23901	23.1
352.23917	31.7
413.26685	6.7
425.26581	9.4
426.27615	6.8
427.28244	28.1
440.29071	64.5
481.25021	5.1
507.34363	6.3
520.35168	67.2
525.16705	5.0
585.38965	5.1
600.41101	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58746	5.1
51.24406	5.3
54.99914	5.2
55.05499	6.9
57.07055	27.8
59.65639	4.7
60.75015	6.2
67.05486	28.0
69.03405	7.0
69.07056	13.6
71.08615	6.1
79.05493	18.4
81.07021	41.6
83.04990	8.0
85.06550	8.4
89.06009	13.7
91.05444	41.8
93.07037	63.4
95.04943	23.1
95.08573	45.7
97.06469	7.0
105.07017	81.7
107.08581	29.6
109.06515	27.2
109.10136	11.1
113.36517	7.0
117.06992	25.9
119.08573	100.0
121.10099	35.1
123.08041	24.2
125.05986	12.6
128.06197	7.1
129.07030	24.2
130.07802	7.4
131.08560	47.6
132.09296	8.0
133.06445	8.8
133.08585	7.4
133.10097	43.7
134.10872	7.5
135.08025	29.9
137.09592	12.2
142.07756	10.0
142.44243	6.2
143.08534	32.3
143.85219	8.8
144.09332	10.3
145.10136	64.7
147.07983	45.0
147.11679	10.4
149.09586	13.9
151.07529	12.8
155.08553	14.5
156.09323	7.9
157.10130	44.9
159.07986	7.9
159.11679	26.8
161.09572	11.6
163.11125	9.6
165.09076	52.2
169.10104	34.5
171.11636	24.0
173.09532	9.0
173.13129	9.1
175.11089	24.2
177.09000	7.3
181.12209	13.3
182.10872	7.9
183.11653	34.3
185.13182	8.8
189.12697	11.8
190.13565	5.8
193.10141	9.1
193.12184	32.3
195.11707	13.9
197.13281	24.6
199.11099	8.4
203.14264	23.4
207.11606	7.7
209.13310	10.1
211.14844	8.8
219.13802	9.2
221.13380	10.4
221.15239	65.7
223.14659	7.4
225.12666	6.8
225.16229	6.7
227.14285	10.3
234.16164	8.5
247.16917	13.5
274.19217	10.7
299.20178	10.8
313.21838	10.5
325.21567	14.2
340.24030	22.8
352.23810	27.9
384.69159	6.5
425.26602	14.0
427.28210	10.6
440.29117	78.4
520.35010	66.1
600.41028	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	600.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76345	0.4
55.05501	0.6
57.03431	0.5
58.02986	0.4
58.06593	1.1
60.04369	0.4
62.90168	0.5
67.05491	2.4
69.07072	0.6
79.05481	5.6
79.26214	0.5
81.07042	1.3
81.78081	0.5
83.74132	0.5
89.06017	10.4
89.29063	0.5
91.05471	2.7
92.08578	1.2
93.07027	3.7
94.33863	0.5
95.04957	3.0
95.08586	0.7
103.05454	3.5
105.07023	100.0
109.06538	0.8
109.10150	0.6
112.51910	0.5
119.08586	2.0
121.06493	10.8
121.10167	0.6
123.08004	0.6
129.07013	0.5
131.08533	2.2
133.08618	2.9
133.10114	0.9
145.10080	0.6
147.08026	1.9
157.10150	0.6
165.09050	4.5
167.10738	0.6
169.10118	0.6
177.11130	0.6
209.13297	2.6
225.12675	0.7
229.06062	0.6
235.14658	0.6
236.14972	4.2
251.14281	1.1
261.36853	0.5
271.15369	12.9
287.21048	0.7
349.17563	0.6
374.49677	0.6
375.21674	16.4
479.27661	2.9
503.76614	0.5
600.45050	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	600.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76345	0.4
55.05501	0.6
57.03431	0.5
58.02986	0.4
58.06593	1.1
60.04369	0.4
62.90168	0.5
67.05491	2.4
69.07072	0.6
79.05481	5.6
79.26214	0.5
81.07042	1.3
81.78081	0.5
83.74132	0.5
89.06017	10.4
89.29063	0.5
91.05471	2.7
92.08578	1.2
93.07027	3.7
94.33863	0.5
95.04957	3.0
95.08586	0.7
103.05454	3.5
105.07023	100.0
109.06538	0.8
109.10150	0.6
112.51910	0.5
119.08586	2.0
121.06493	10.8
121.10167	0.6
123.08004	0.6
129.07013	0.5
131.08533	2.2
133.08618	2.9
133.10114	0.9
145.10080	0.6
147.08026	1.9
157.10150	0.6
165.09050	4.5
167.10738	0.6
169.10118	0.6
177.11130	0.6
209.13297	2.6
225.12675	0.7
229.06062	0.6
235.14658	0.6
236.14972	4.2
251.14281	1.1
261.36853	0.5
271.15369	12.9
287.21048	0.7
349.17563	0.6
374.49677	0.6
375.21674	16.4
479.27661	2.9
503.76614	0.5
600.45050	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	600.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01860	5.1
55.05506	4.8
55.35327	1.5
57.03430	4.4
61.02921	2.4
67.05498	13.4
69.03421	23.2
69.07047	5.2
71.04984	3.6
73.02933	3.2
79.05452	15.3
80.05002	2.6
81.03410	16.9
81.07045	49.5
83.04937	2.2
83.08622	2.2
85.02890	43.5
85.06490	2.3
87.00816	18.0
91.05455	13.9
92.09362	3.6
93.07037	23.6
95.04953	2.5
95.08583	30.4
97.02883	19.8
97.06513	22.2
99.04459	8.1
105.01850	12.8
105.07023	23.9
106.06568	4.4
107.08584	22.8
109.02854	16.0
109.10165	11.7
117.07020	11.0
119.04962	2.5
119.08576	18.8
121.10143	15.4
124.07553	14.2
127.03915	17.7
128.37956	2.5
129.06981	8.5
131.08549	20.4
133.10106	20.6
134.99571	2.5
135.11673	9.8
141.06961	2.2
142.07762	3.3
143.08545	10.6
145.04970	5.2
145.10106	26.6
147.04375	11.3
147.11636	20.9
149.13249	16.0
155.08423	3.0
157.10109	28.9
159.02911	5.0
159.11673	37.1
161.13240	22.2
163.03851	7.5
163.14798	2.8
165.05666	2.2
165.07028	2.4
167.08553	3.1
169.10132	9.9
171.11615	18.6
173.02344	3.7
173.13234	17.4
175.14807	12.3
181.10042	2.6
183.11691	8.7
185.09613	2.1
185.13255	13.0
187.14763	3.5
193.04874	3.6
197.13242	7.9
199.03815	2.8
199.14775	12.5
201.16389	3.3
207.02895	13.4
211.14844	9.9
213.16376	10.9
215.07062	11.2
215.18021	3.4
225.16293	5.2
231.05022	3.1
239.17931	5.0
241.08691	2.9
255.21086	37.1
259.09595	19.7
281.22580	100.0
283.24155	2.5
290.23294	2.2
299.23669	44.1
317.24701	14.4
335.25845	13.6
355.15088	3.6
369.13162	3.1
407.06396	2.7
511.17197	2.0
547.28711	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62541	0.2
53.03935	0.3
58.06595	3.6
59.04990	3.1
59.07410	0.2
59.99092	0.5
64.76307	0.2
65.03905	0.3
66.93272	0.2
68.59439	0.2
69.03416	3.1
71.99075	1.5
72.08138	0.3
81.03403	1.8
81.07033	0.3
83.06068	0.5
85.02892	2.8
87.00804	0.3
87.04451	7.0
91.05473	0.3
92.35358	0.2
94.04174	1.3
95.04972	0.3
97.02866	0.7
99.04443	0.6
100.02181	100.0
103.94482	0.2
107.41287	0.3
109.02855	1.2
116.28889	0.3
118.03211	5.0
122.06007	50.1
123.04433	0.4
123.06390	0.3
126.90436	0.3
127.03895	1.4
137.02373	0.5
137.05952	0.4
145.04944	0.4
146.02690	14.2
147.04396	0.5
163.03810	0.6
164.07022	0.6
173.05917	0.3
215.07159	0.3
231.07947	6.2
309.15875	0.3
370.06638	0.6
370.11227	13.8
370.15762	0.5
395.24124	0.3
401.83566	0.3
600.18304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55998	4.2
53.03937	4.2
53.99734	4.2
55.01834	4.6
55.05501	20.5
57.07060	8.0
60.13738	4.0
63.84589	3.9
67.05478	32.8
69.03399	19.4
69.07050	30.7
79.05476	35.2
81.07037	39.0
81.65872	4.6
82.86019	5.0
83.08599	9.6
89.06024	5.9
91.05456	48.7
93.07028	74.0
95.04939	27.4
95.08565	33.4
97.06518	6.5
98.09809	4.3
105.07010	100.0
107.08575	45.4
109.06527	19.2
109.10125	21.5
115.05475	5.7
117.07006	10.3
119.08540	86.8
121.06495	10.2
121.10117	94.6
123.08067	22.2
128.06187	8.1
129.06992	11.1
130.07816	5.6
131.08530	31.0
133.06445	10.0
133.10107	48.2
135.08017	20.3
135.11668	7.6
137.09601	6.1
142.07787	11.5
143.08540	37.8
144.09319	5.3
145.10104	54.9
147.08044	26.7
147.11710	14.0
149.09618	27.0
151.07544	18.1
155.08563	11.1
156.09320	17.8
157.09021	5.7
157.10072	36.7
159.08052	22.4
159.11656	29.7
161.09618	6.2
163.11043	6.8
165.09079	26.7
167.08548	11.1
167.10617	84.4
168.09383	7.2
168.98911	4.2
169.10074	23.4
170.10806	6.1
171.11728	19.1
173.09645	6.2
173.13223	8.5
175.11105	5.8
179.08453	6.4
180.09294	7.4
182.10806	5.4
183.11702	9.3
185.13254	18.4
187.14816	8.5
189.12839	6.0
192.09296	5.1
193.10101	7.4
194.10910	9.5
195.11661	8.4
197.13129	9.5
200.85074	5.0
206.11002	5.0
207.11703	6.1
209.13338	7.1
211.14685	7.5
213.12587	5.0
215.14351	4.8
221.13106	8.5
221.15280	9.4
233.15276	36.6
278.44583	5.0
541.17377	6.6
580.36920	5.3
581.39520	24.0
599.40656	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05499	15.6
57.07064	12.8
61.63760	1.8
67.05504	22.8
69.03419	11.9
69.07046	14.4
71.04959	2.8
79.05483	28.7
81.07037	26.2
83.04967	13.1
83.08646	4.4
85.06533	4.4
91.05475	29.9
92.09239	2.9
93.07044	45.0
95.04964	16.4
95.08588	26.8
97.06506	11.1
103.05442	2.9
105.07014	57.0
107.04945	2.8
107.08567	35.0
109.06503	14.0
109.10136	12.9
110.52985	1.9
115.05435	3.9
117.06991	14.4
119.08569	44.5
121.06480	11.4
121.10134	43.1
123.08043	15.0
123.11701	3.0
125.05973	9.3
125.09631	3.4
128.06201	9.3
129.07018	17.2
130.07756	3.1
131.08546	28.3
133.06476	4.4
133.10114	24.1
135.08041	17.5
135.11670	10.3
137.09593	10.1
141.06993	10.3
142.07805	18.3
143.08562	25.7
144.09317	9.2
145.10136	33.6
147.08035	14.0
147.11705	4.4
149.09654	17.7
151.07526	10.9
155.08537	14.8
156.09329	14.7
157.10126	32.7
158.10870	3.2
159.08037	11.6
159.11671	22.7
161.09634	13.3
161.13194	3.4
162.66217	2.4
163.11171	11.9
165.09081	22.0
167.08560	4.9
167.10649	11.7
168.09293	4.3
169.10120	18.5
170.10864	2.7
171.11644	18.7
173.09644	2.8
173.13226	10.9
175.11200	5.1
177.09100	2.6
179.08586	8.1
180.09331	3.3
181.10135	10.9
181.12221	13.1
182.10857	5.4
183.11632	18.7
185.09569	2.6
185.13222	11.6
187.11221	2.8
189.12766	9.3
193.10100	3.4
194.10941	3.2
195.11696	11.4
196.12338	2.6
197.13264	9.2
199.11122	4.0
199.14713	3.8
203.14278	3.9
205.09975	2.5
206.10898	4.5
207.11673	10.3
207.13705	4.9
208.12524	2.3
209.13217	8.9
211.14772	4.7
213.12894	2.3
219.11690	4.1
220.12454	3.1
221.13345	5.6
221.15349	24.4
223.14920	3.5
225.12645	3.1
225.16277	3.3
233.13251	6.4
233.15326	32.1
235.14803	4.1
237.16470	3.1
247.14722	2.7
249.16197	2.5
259.14719	2.3
277.15723	2.3
281.18958	8.9
343.22916	2.3
504.39114	2.7
507.34732	50.4
599.40869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01879	1.8
55.05502	8.3
57.07062	12.9
59.04987	6.5
67.05485	15.2
69.03410	11.8
69.07041	8.1
71.08617	1.6
79.05460	15.1
81.03403	1.7
81.07037	20.5
83.04956	7.0
85.02888	1.9
85.06522	7.5
91.05462	25.5
92.29456	1.6
93.07024	40.4
95.04976	13.9
95.08594	24.1
96.07678	1.4
97.06487	2.6
103.05455	1.7
105.07012	51.6
107.04911	2.1
107.08578	22.3
109.06514	9.9
109.10149	9.0
111.08047	1.9
117.07004	10.7
119.08554	43.0
121.06480	10.4
121.10113	20.5
122.07308	1.9
123.08031	19.5
123.11646	1.5
125.05937	6.9
126.43247	1.6
128.06198	3.7
129.06979	7.7
130.07791	2.7
131.08545	20.5
133.10098	22.4
135.08052	22.6
135.11676	3.4
137.09605	21.0
141.06976	2.4
142.07813	11.8
143.08551	16.8
144.09323	2.6
145.06456	2.7
145.10104	28.6
147.08046	39.3
147.11681	6.7
149.09605	6.3
151.07538	16.6
153.06909	2.6
155.08539	11.8
156.09323	9.6
157.10127	29.3
158.10866	2.7
159.07996	3.7
159.11687	16.1
161.09589	11.5
161.13246	9.0
163.11127	9.2
165.06987	2.5
165.09071	70.8
167.08510	6.2
167.10747	2.5
168.09383	2.1
169.10072	16.8
170.10930	3.7
171.11639	16.0
173.09555	6.6
173.13257	2.7
175.11269	2.7
175.14842	2.6
177.09056	2.7
180.09370	2.0
181.10107	3.4
181.12172	3.1
182.10802	2.9
183.11615	12.3
185.09659	2.0
185.13246	9.1
187.11064	3.0
187.14737	3.0
189.12720	6.7
191.10637	6.6
191.14275	3.0
193.10124	2.7
193.12157	1.6
194.10814	3.6
195.11734	11.4
196.12428	2.3
197.13220	8.3
199.11148	3.9
203.14305	27.6
205.12086	1.7
207.09801	1.7
207.11699	2.8
207.13713	3.3
208.12402	2.0
209.13229	6.6
211.14754	8.7
213.12695	2.6
219.11708	1.9
219.14011	1.8
221.13387	4.9
221.15323	100.0
223.14738	1.8
225.12625	2.0
229.15750	2.6
232.78053	1.8
233.15369	2.7
235.14731	2.0
247.16895	13.3
261.18567	1.9
265.92908	1.8
287.20050	11.8
299.19937	6.8
301.21500	3.3
320.91711	1.8
365.24643	2.7
373.25327	1.6
391.26413	11.9
427.28302	6.9
444.73944	1.6
453.30206	1.9
491.24850	1.8
507.34204	7.8
519.34015	3.6
581.39221	3.0
599.41211	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.8
67.05473	3.1
69.07038	2.0
79.05477	2.7
81.07047	3.2
83.04967	2.3
83.08584	2.4
85.02876	2.3
93.07008	1.9
109.10119	1.9
111.04438	3.0
119.08476	2.2
133.10089	1.9
137.06927	1.5
139.02795	3.4
139.03891	100.0
145.09946	1.6
163.03897	9.8
173.06000	1.7
187.07477	1.7
201.09048	2.7
211.07407	2.7
283.05731	1.9
295.05997	1.8
546.68982	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	599.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21499	0.2
50.30455	0.2
52.39925	0.2
57.07067	0.3
64.33829	0.2
67.05475	0.5
69.07064	0.3
71.08626	0.3
73.01400	0.2
79.05476	0.6
81.07033	1.0
84.82298	0.2
90.04588	0.2
91.05451	0.5
93.07040	0.4
94.04168	1.5
105.06993	0.5
109.10152	0.3
114.09103	0.3
122.03632	4.6
124.94682	0.3
133.10077	0.4
135.11687	0.6
136.48241	0.2
137.05963	100.0
138.06290	1.1
141.12761	0.4
154.03333	0.3
158.15384	0.5
159.16452	0.3
170.15387	0.4
182.15373	1.5
228.39787	0.3
245.90608	0.3
294.20480	2.1
302.39175	0.3
306.20612	3.3
339.01578	0.3
398.85229	0.3
432.43292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82135	2.3
55.05503	18.8
57.03428	4.6
57.07061	5.4
59.04961	2.7
67.05145	3.3
67.05497	88.2
69.07050	15.4
71.04972	15.5
79.05472	17.0
81.07040	100.0
83.08610	6.2
85.06485	3.0
91.05450	23.3
93.07027	17.9
95.04943	3.2
95.08588	33.7
97.06495	4.6
105.07015	14.1
107.08575	14.6
109.10156	11.2
119.08536	3.4
121.10118	9.5
123.11697	13.5
131.08592	2.8
133.10100	15.8
269.17471	3.5
301.20020	3.9
337.27155	15.9
505.38821	65.7
531.40259	3.0
563.43109	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	598.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42080	2.3
54.82290	2.5
55.05501	4.0
57.07065	50.3
67.05486	4.0
71.08622	35.3
73.06535	5.6
81.07016	3.2
85.10157	19.3
89.06011	100.0
91.05470	3.1
95.08585	3.0
97.10152	6.2
98.00964	2.8
117.09081	3.7
118.38499	3.4
133.08563	31.0
133.10069	4.1
141.81769	2.8
157.10080	3.1
159.75757	3.3
177.11162	12.9
177.40628	2.9
177.77910	3.0
233.57120	2.6
291.64310	3.2
313.27167	4.1
371.22665	12.8
547.64301	4.3
581.46069	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47609	0.9
56.96561	0.9
69.03408	2.3
72.93800	1.5
81.03408	2.0
85.02901	2.5
85.30584	0.9
90.94833	1.5
97.02857	1.1
98.97581	4.4
116.98584	1.9
122.20734	1.2
128.96313	1.1
129.20102	1.1
132.95842	12.9
137.05995	1.2
139.06322	1.1
146.97427	1.7
147.04427	2.1
147.94901	1.0
150.96872	5.9
152.80774	1.1
158.97363	1.9
158.99606	1.5
161.02986	2.4
174.96852	2.1
179.02353	1.7
188.98225	1.1
194.99474	14.5
205.05551	9.1
214.35901	1.1
221.05083	1.2
227.09038	1.7
234.98843	1.7
237.00523	23.5
245.08650	1.3
257.10965	1.3
261.00629	2.3
279.01501	2.3
287.10431	1.3
289.08908	84.0
301.08893	56.9
321.02682	4.8
333.11511	100.0
334.11887	2.3
446.47845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03102	1.5
53.03938	2.8
55.01863	9.7
55.05499	23.2
57.03413	8.6
57.07343	1.4
61.02908	3.6
67.05486	34.6
69.03413	3.9
69.07054	23.9
71.04964	3.8
73.02887	1.6
78.30312	1.5
79.05473	47.3
81.03397	9.9
81.07039	75.6
83.04955	3.6
83.08591	10.7
85.02881	10.8
91.03918	3.1
91.05462	39.9
92.64191	1.8
93.07025	37.9
95.04954	18.8
95.08576	19.9
97.02853	4.3
97.06498	6.5
97.10149	7.2
98.55972	1.8
99.04452	1.8
105.07004	29.2
107.04945	18.7
107.08575	20.6
109.02796	2.0
109.06501	12.9
109.10168	12.6
111.04408	2.4
111.08047	3.2
115.05450	3.0
117.06998	24.4
119.04921	2.2
119.08561	46.9
121.06498	16.0
121.10141	17.2
123.08055	21.9
125.09605	8.8
127.03876	2.9
128.06174	2.3
129.07002	12.1
131.08553	26.4
133.06442	7.0
133.10107	15.6
135.08034	13.3
135.11681	7.5
137.09572	6.8
141.07025	2.3
143.08539	14.8
145.06465	1.9
145.10095	27.3
147.08026	21.0
147.11682	7.1
149.09584	18.0
155.08456	1.9
157.10146	13.4
159.08011	2.3
159.11699	10.6
161.09575	15.1
163.11153	13.1
169.10052	2.5
171.11691	12.1
173.09633	2.3
175.11194	7.1
181.10199	2.3
185.13245	7.3
187.11324	2.6
189.11197	2.8
195.11728	2.2
197.07277	2.5
199.11122	2.1
213.12878	1.9
223.13150	2.2
227.18024	2.8
241.19472	9.4
249.14830	3.4
255.17433	7.8
273.18442	47.5
291.19473	81.4
309.16086	8.4
311.18405	1.9
327.17361	2.2
347.22076	3.7
350.48016	1.8
365.23074	45.3
383.19812	27.3
401.20798	100.0
509.89120	1.7
537.56146	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	598.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	8.0
55.05510	20.2
57.03435	8.6
57.07078	0.8
61.02915	5.2
61.44584	0.7
67.05150	0.9
67.05500	23.1
69.03423	2.0
69.07059	16.7
71.04992	3.3
71.92749	0.8
79.05057	1.3
79.05482	30.3
81.03410	5.4
81.07043	57.2
83.04984	5.1
83.08607	9.9
85.02895	5.6
85.06535	1.0
85.48757	0.7
89.01548	1.0
91.03962	1.2
91.05468	25.0
93.07028	27.1
95.04955	18.2
95.08598	14.4
97.02872	1.5
97.06505	3.8
97.10135	7.7
103.82637	0.7
105.07027	20.8
106.76476	0.7
107.04937	14.6
107.08588	15.5
109.06509	8.3
109.10162	7.9
111.04430	4.4
111.08056	3.6
115.05442	1.4
117.01015	1.3
117.07014	20.2
119.08569	33.7
119.09394	1.5
121.06522	8.4
121.10124	11.3
123.08054	18.0
125.09610	7.5
128.06252	1.0
129.01053	1.1
129.06981	9.7
130.07674	0.8
131.08559	17.9
133.00513	1.6
133.06471	4.3
133.10120	9.5
135.08051	7.3
135.11687	4.8
137.09601	4.2
142.07745	1.3
143.08556	9.3
145.06583	1.3
145.10109	17.2
147.08066	15.5
147.11696	4.9
149.09628	11.9
153.09158	0.8
155.08545	1.5
157.10051	6.5
159.08070	4.1
159.11636	7.4
161.09583	11.3
163.11137	9.3
167.04289	0.9
167.08496	1.6
169.10132	3.2
171.07997	0.9
171.10228	1.7
171.11678	6.1
173.07295	1.2
173.09526	1.2
175.11168	3.5
183.93178	0.9
185.09642	1.1
185.13220	5.2
187.11177	1.1
189.11211	1.9
189.12769	1.6
195.11742	1.3
197.07256	1.9
199.11142	1.5
223.13295	1.1
227.17941	3.8
237.16306	1.9
245.19067	1.9
249.14828	4.5
255.17436	3.6
256.39609	0.8
273.18457	27.5
280.38950	0.8
291.19504	49.5
309.16025	3.3
327.17136	1.4
329.12717	0.8
347.22034	3.6
365.23151	18.4
365.61121	0.9
383.19858	22.5
401.20837	100.0
402.21487	2.8
432.96295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3034
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.00315	1.4
53.03943	1.2
53.35173	0.7
55.01852	0.8
55.05265	1.4
55.05511	26.8
56.03595	0.7
57.03434	17.7
57.07072	2.4
65.03946	1.0
67.05499	50.9
69.07054	25.4
71.33300	0.8
79.05487	12.5
81.03390	3.7
81.07043	44.2
82.17426	0.9
83.08608	11.6
91.05469	8.9
92.96568	0.9
93.07034	15.6
95.08000	1.9
95.08593	34.5
97.06529	2.1
97.10154	4.6
98.32397	0.9
98.98452	9.3
99.08100	1.0
105.07030	7.4
107.08622	6.5
108.12794	1.0
109.10154	11.3
119.07816	0.8
119.08590	6.2
121.10135	5.7
122.58224	0.9
123.11722	4.4
124.00376	1.2
133.10144	4.9
135.11682	1.6
137.13231	1.1
147.11690	1.1
149.13258	1.4
161.13249	1.3
175.14824	1.1
194.57889	0.9
257.07993	1.2
261.03769	1.3
279.47009	0.9
335.45093	0.9
337.27325	100.0
428.39600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.0
53.06796	1.7
55.01864	14.8
55.05497	4.3
57.03426	8.3
61.02908	10.8
65.03929	1.8
68.99783	11.1
69.03420	40.6
71.04984	2.8
73.02888	10.9
79.05489	4.1
79.28927	2.0
80.04984	3.5
81.03404	49.8
81.07015	3.4
83.02503	2.0
83.04951	2.2
85.02890	86.0
85.06556	2.4
87.00816	44.3
87.04473	2.5
91.04984	2.3
91.05465	21.7
92.08768	3.0
95.04968	3.9
97.02878	40.1
99.04435	16.0
103.03934	8.6
103.05452	28.5
105.01868	20.7
105.06996	4.8
107.04956	12.6
109.02869	37.9
111.04416	8.4
115.05420	8.1
117.01860	4.1
119.04919	22.2
121.06509	9.7
121.10174	2.3
123.04382	4.3
124.07571	39.1
125.07955	4.2
127.03879	36.9
129.01820	4.7
130.04120	3.3
131.04901	88.2
133.02818	3.8
133.06465	13.4
134.37190	2.0
135.04367	15.8
137.02351	36.1
137.05960	100.0
138.02693	8.2
141.06982	3.7
143.04941	8.7
145.04933	8.6
145.06477	7.8
147.03171	3.2
147.04396	72.5
148.04770	13.7
149.05966	14.8
150.06743	10.8
151.03949	2.1
151.07538	10.6
159.02864	21.0
159.04269	5.8
160.05194	3.3
161.05945	35.0
162.06735	40.8
163.03879	20.5
163.07532	35.7
164.04198	3.5
165.05531	2.9
169.06491	10.3
171.04384	2.9
173.05945	12.8
175.07520	15.1
177.05463	20.3
177.09227	3.6
179.07018	4.9
185.05931	3.8
187.07538	10.6
189.03920	3.6
189.05478	7.1
191.07021	29.5
197.05975	9.7
199.07587	3.9
201.09117	4.3
203.07007	12.1
209.05927	2.6
215.07013	13.6
217.08508	3.4
223.07574	2.8
227.06982	3.6
229.08617	11.1
231.04874	3.2
233.08093	8.0
257.07935	11.6
265.08505	4.2
269.15195	2.3
269.20999	2.4
275.09027	4.3
285.11121	3.2
297.11188	11.2
302.14709	2.6
321.11172	2.6
358.14676	2.2
376.40463	2.6
379.10052	3.6
463.88477	2.6
470.45264	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	597.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39512	1.1
56.96560	8.1
58.26491	1.1
69.03421	2.0
74.94408	1.2
75.30939	1.0
76.73176	1.0
80.04993	2.3
81.03400	1.7
81.07047	1.4
84.96021	5.8
85.02904	2.6
87.00776	1.6
91.05470	2.2
95.04961	5.3
95.08582	1.6
98.97562	42.5
105.15576	1.4
109.02857	2.3
112.99130	18.1
116.98609	25.7
117.32413	1.3
119.04920	5.4
121.02888	2.0
123.04407	19.0
124.07552	12.0
126.58075	1.2
127.03936	1.7
131.00143	34.1
134.99634	9.8
135.04451	1.3
137.02333	18.4
137.05995	1.4
138.02628	1.5
144.98111	2.3
147.03287	2.0
147.04378	16.1
148.04720	2.6
149.01222	25.3
149.02283	2.0
151.03670	1.4
158.99622	27.3
162.99159	6.8
163.03876	5.5
165.05544	1.8
173.01152	31.4
173.02426	1.7
177.00676	44.0
191.02222	38.7
191.03818	1.5
195.01796	6.1
201.00699	10.6
209.03374	1.7
214.03859	1.7
219.01654	17.2
233.03253	2.5
237.02846	1.4
283.05923	15.9
284.06827	7.7
295.06042	5.5
309.08258	6.4
313.07019	24.4
323.05649	1.4
323.09137	2.2
333.08401	12.6
337.07114	5.1
351.09549	38.2
397.09216	5.7
415.10220	6.2
416.55508	1.7
433.11166	27.6
433.16592	1.8
481.10062	9.5
553.16675	21.6
597.15741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05512	19.6
56.97451	1.5
57.03437	4.7
57.07063	1.8
67.05497	72.3
69.07062	21.9
71.04984	1.9
73.02891	2.6
79.05475	56.1
81.03419	3.8
81.07037	100.0
83.08617	8.9
85.02874	3.0
91.05476	25.4
92.08672	3.8
93.07025	69.4
95.04949	3.3
95.08582	72.8
97.06494	3.2
105.07009	24.3
107.08584	44.4
109.02859	8.8
109.10159	31.5
110.44729	1.7
111.11791	1.8
117.06995	11.8
119.08552	19.8
121.10124	31.7
123.11652	9.2
127.03925	2.2
131.08522	23.0
133.10118	14.4
135.11659	24.8
137.13240	2.5
145.10104	15.8
147.11693	10.3
149.13200	13.4
151.14769	2.4
159.11665	16.9
161.13251	10.2
163.14818	12.3
173.13243	11.5
175.14836	4.0
177.16306	3.4
185.19221	2.0
187.14792	3.6
223.63560	2.2
224.07271	1.9
243.21100	20.5
261.22095	52.7
335.25894	20.3
337.27332	8.0
353.26764	28.7
473.12433	2.1
561.27094	9.3
611.09570	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	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01869	14.9
55.05503	20.6
57.03432	17.6
58.88816	0.8
59.05005	1.3
61.02923	7.6
64.81657	0.9
65.03933	1.3
67.05146	1.1
67.05493	28.4
67.60553	1.1
68.99767	1.4
69.03416	14.2
69.06715	1.1
69.07062	20.8
71.04964	4.6
71.08617	1.1
73.02896	7.6
79.05471	23.2
81.03410	17.1
81.07044	29.2
83.04980	8.0
83.08607	8.7
85.02901	27.2
85.06574	1.2
87.00807	8.4
87.43087	1.0
91.03964	1.3
91.05468	20.0
93.07027	21.3
95.04958	13.0
95.08583	15.3
96.05682	1.2
97.02873	17.2
97.06519	9.7
97.10155	10.9
98.07331	1.2
99.04435	6.8
99.08084	1.4
103.05451	2.0
105.01833	5.0
105.07016	11.3
107.04276	1.0
107.04929	6.6
107.08581	13.0
109.02876	14.0
109.06502	10.2
109.10140	12.8
111.04415	8.7
111.08051	2.5
115.05404	1.9
116.04679	10.2
117.01836	1.8
117.06989	5.7
119.08567	12.5
120.08089	2.4
121.06461	6.8
121.10119	7.1
123.04381	5.9
123.08000	4.4
125.02402	1.4
125.09586	7.4
127.03894	16.8
129.05461	33.7
129.06998	4.6
131.04926	1.4
131.08539	5.8
133.02791	1.9
133.06468	2.0
133.10077	7.8
134.03664	2.1
135.04398	4.1
135.08060	5.8
135.11682	5.7
137.02335	2.0
137.05962	12.8
137.09586	10.7
138.06306	2.3
139.03896	13.2
143.07053	9.0
145.02829	1.9
145.04930	2.4
145.10107	5.0
147.08031	3.9
147.11665	4.3
149.02303	1.2
149.09610	4.5
151.03891	1.5
151.07460	1.5
151.11241	1.4
155.03358	1.9
157.08583	17.5
157.09959	1.8
159.02832	5.9
159.11691	4.0
161.09563	2.3
163.03886	6.6
163.07536	8.1
163.11165	2.4
164.07870	4.9
167.03365	17.7
171.10130	6.7
175.03900	5.1
175.11151	2.5
177.05444	6.5
179.03349	1.1
182.48073	1.0
184.07310	1.3
187.27997	1.2
189.11244	4.3
191.03294	1.7
193.12164	7.5
215.06967	1.2
217.17995	1.3
221.11687	6.6
229.14343	1.6
233.40523	1.1
239.12785	2.1
243.06468	1.6
269.17496	6.9
271.05991	6.3
273.18478	4.0
276.64371	1.1
277.08850	1.0
289.18051	1.2
291.19760	1.4
329.21146	1.2
331.08044	45.9
365.23166	11.1
399.23703	100.0
500.36279	1.2
561.28369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.4
51.83269	0.3
53.03942	0.4
55.01859	0.6
57.03424	1.6
68.11395	0.3
69.03419	3.5
69.07055	0.5
73.02906	0.5
79.05466	1.8
81.03397	3.8
83.04948	0.7
83.56761	0.5
85.02897	6.1
87.00803	3.3
91.05466	1.0
93.07018	0.7
95.04940	0.5
97.02872	3.1
99.04428	1.0
100.11224	0.9
103.11588	0.4
105.01873	0.8
105.07012	8.6
107.04941	22.3
107.08615	0.6
109.02879	2.3
109.06531	0.5
109.10144	0.6
115.05476	0.6
117.06973	2.6
119.04945	3.1
121.02833	0.6
121.06485	5.8
121.80254	0.4
123.08080	0.8
124.07529	0.6
127.03876	2.7
129.06929	0.6
131.04926	4.8
133.06471	50.0
134.07018	0.4
135.04395	1.6
135.08046	0.5
137.02304	6.9
137.05969	2.3
138.02634	1.0
139.02725	0.7
143.08554	0.8
145.02902	0.5
145.05005	0.5
145.06493	0.5
147.04384	4.3
149.09552	0.7
151.07532	8.3
157.06369	0.8
159.02924	1.6
159.07986	0.6
161.05952	0.9
162.06728	1.5
163.03870	5.5
163.07561	0.9
164.04245	1.0
175.07568	3.6
177.09079	100.0
178.09412	0.9
179.08505	0.6
189.09074	0.8
195.08044	0.9
195.10133	3.6
197.09605	3.6
203.08737	0.5
203.10670	0.6
206.50020	0.4
221.11694	12.3
223.07413	0.8
223.11169	1.0
225.09087	2.2
237.08934	0.8
251.10582	0.5
255.10107	2.5
257.11642	4.4
267.10101	2.3
269.11646	2.7
281.11761	0.5
283.13141	0.9
297.14801	0.4
301.11267	0.7
301.14313	7.8
313.14267	3.1
391.15427	0.6
531.17926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97059	1.8
69.03404	4.3
70.06577	38.2
77.24641	1.9
85.02905	2.7
96.04475	81.2
97.02860	9.7
107.07366	3.5
113.07123	1.9
114.05523	15.5
118.06547	8.0
120.08097	9.8
123.04416	10.0
135.04341	14.7
139.03894	8.8
140.04324	2.0
145.02861	3.1
147.04367	2.9
148.07553	37.2
163.03880	42.7
163.08646	44.9
166.08644	2.4
172.10938	1.9
174.93254	2.1
191.08134	100.0
193.09666	12.9
209.09212	17.1
237.08650	58.0
245.04500	7.9
246.04813	7.8
254.11322	26.5
255.09706	43.4
272.12350	4.5
339.71060	2.3
541.53180	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	595.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81680	1.6
57.07060	3.0
58.23404	1.5
59.64627	1.5
67.05510	1.8
76.56351	2.1
83.46017	1.5
114.37090	2.5
121.09982	1.7
132.42708	2.0
239.89265	1.9
283.14999	12.6
339.17798	7.1
595.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97059	1.8
69.03404	4.3
70.06577	38.2
77.24641	1.9
85.02905	2.7
96.04475	81.2
97.02860	9.7
107.07366	3.5
113.07123	1.9
114.05523	15.5
118.06547	8.0
120.08097	9.8
123.04416	10.0
135.04341	14.7
139.03894	8.8
140.04324	2.0
145.02861	3.1
147.04367	2.9
148.07553	37.2
163.03880	42.7
163.08646	44.9
166.08644	2.4
172.10938	1.9
174.93254	2.1
191.08134	100.0
193.09666	12.9
209.09212	17.1
237.08650	58.0
245.04500	7.9
246.04813	7.8
254.11322	26.5
255.09706	43.4
272.12350	4.5
339.71060	2.3
541.53180	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.8
57.07057	18.5
58.72215	3.0
61.98821	3.5
67.05505	24.2
69.03415	15.9
69.07055	56.5
71.08587	4.2
79.05475	18.3
81.03405	8.6
81.07040	100.0
83.04954	3.3
83.08598	24.3
85.02877	22.6
85.06512	11.9
87.00802	6.6
91.05414	4.6
93.07016	23.7
95.08586	88.9
97.02892	4.4
97.06510	5.8
97.10148	19.1
99.08065	7.8
102.31686	3.7
107.08566	22.9
109.02895	3.4
109.10151	46.2
111.08069	5.0
111.11705	15.2
121.10128	18.6
123.11689	30.7
127.03884	7.2
135.11659	14.5
137.13312	11.8
149.13196	11.4
151.14803	6.2
163.14818	7.4
166.58521	4.5
191.17979	3.5
255.15881	4.1
293.28287	25.9
311.29480	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18291	2.7
55.05491	4.0
57.07065	4.1
60.28845	2.8
67.05489	6.0
69.07056	15.5
71.08604	3.3
79.05474	6.5
81.07033	38.4
83.08615	4.8
85.02917	4.4
86.41742	2.8
87.00814	4.2
91.05425	4.0
93.07017	14.0
95.04905	2.8
95.08593	19.7
97.10120	4.6
105.01929	3.1
109.10156	7.4
125.35587	3.8
127.03894	3.1
129.94106	3.2
134.06908	3.2
148.97292	2.6
151.20862	4.0
151.99402	3.0
185.04219	3.3
201.44283	3.2
219.07739	3.6
266.32367	3.1
275.07416	3.2
293.28329	13.5
331.10095	11.6
355.11908	3.2
385.14676	3.8
426.93274	3.1
440.21866	3.3
595.30835	100.0
613.30890	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	595.309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.3
79.05460	2.4
81.07040	2.8
93.07026	3.0
94.28577	1.5
95.08598	2.4
101.46655	1.6
105.06974	2.3
148.03973	1.9
165.09145	1.7
168.01578	1.7
190.42871	1.7
199.60835	1.8
230.91261	1.7
433.25812	2.1
440.80109	1.8
479.75229	1.8
481.19882	2.8
495.21399	1.7
595.30817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.97359	0.1
53.03939	0.3
53.60503	0.1
54.50935	0.1
55.01846	0.2
55.05501	0.2
57.03171	0.1
57.03426	2.5
59.04979	0.1
61.02913	0.7
61.03161	0.1
68.99789	0.4
69.03412	1.6
71.04974	10.5
72.43938	0.1
73.02888	0.5
73.68481	0.1
75.04453	0.4
81.03411	0.8
83.04951	0.5
85.02888	14.2
87.04449	0.4
97.02863	1.5
99.04433	0.4
105.03358	0.2
107.04910	0.1
109.02867	0.7
111.00797	0.6
111.04401	0.3
121.02840	2.7
121.03749	0.1
127.03915	0.8
129.05458	1.8
133.02811	0.5
135.04372	0.2
137.02338	0.8
145.04930	0.5
145.06543	0.1
147.04376	0.5
147.06491	0.6
153.01808	3.3
157.06465	0.2
159.98094	0.1
163.04105	0.1
165.01785	1.8
171.04321	0.2
183.02893	1.0
185.05933	0.5
186.76750	0.1
213.05386	1.2
231.06541	0.7
241.04871	1.0
243.06502	0.1
258.05176	1.2
259.05978	0.3
287.05438	100.0
288.05649	0.8
449.10434	0.6
457.03513	0.1
539.65479	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	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14077	0.7
53.03949	1.4
55.01874	0.9
55.05505	19.6
57.03173	1.0
57.03431	15.4
57.07066	1.2
58.58529	0.9
62.38189	0.8
65.03909	1.6
67.05141	1.9
67.05492	52.2
69.07058	13.9
79.05479	29.7
81.03413	3.6
81.07041	46.2
81.07532	1.0
83.04954	1.0
83.08591	2.2
84.04648	1.0
85.06506	1.1
87.01915	0.9
91.05457	15.4
92.08580	2.9
93.07024	32.4
95.04950	1.7
95.08584	34.2
96.38917	1.0
96.74728	0.9
97.06527	1.2
97.10143	1.6
98.98455	13.3
102.45612	1.1
105.07035	9.1
107.08582	14.2
109.02876	1.0
109.06512	1.3
109.10134	11.3
111.08074	1.5
117.07017	2.1
119.08559	7.5
121.10109	9.2
123.11696	1.6
125.09609	1.0
131.08551	3.8
133.10115	3.9
135.11685	6.2
138.67216	0.9
145.10121	4.2
147.11655	1.9
149.13278	1.1
155.01054	1.4
161.13292	1.8
164.40804	1.1
269.41513	1.1
335.25739	100.0
393.62408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Vitexin 7-O-glucoside
Peak:m/z	Relative Intensity
52.68638	0.3
54.50285	0.3
55.01831	0.4
55.49704	0.3
57.03404	0.6
61.02895	0.4
68.99750	0.5
69.03388	1.3
79.01826	1.1
81.03368	1.5
85.02870	3.6
97.02858	0.7
109.02834	0.8
116.11930	0.3
119.04932	2.4
121.02839	14.5
123.04414	0.3
126.73688	0.3
127.03809	0.4
135.04352	0.6
137.02318	0.6
145.02794	0.8
147.04367	0.7
153.01720	0.7
161.06009	0.4
163.03848	2.1
165.01805	1.6
167.03391	0.5
171.02827	1.3
177.01753	0.5
183.02803	0.8
187.03935	0.7
191.03363	0.7
191.42041	0.3
195.02837	1.4
197.05891	0.6
203.03368	0.5
205.04932	0.7
213.05409	2.3
217.04916	3.4
219.02939	0.6
221.04245	0.5
227.06987	0.8
229.38972	0.4
233.04411	0.6
241.04999	0.6
243.02864	1.4
243.06381	2.4
243.74602	0.4
255.06407	3.7
256.07281	5.9
259.05951	1.7
261.03815	2.9
267.06409	0.6
270.05130	0.5
271.05978	9.2
281.08078	0.5
283.05948	57.1
284.06720	35.9
285.07495	3.0
295.05951	23.1
295.09305	0.8
297.07504	13.3
307.05945	1.6
308.06577	2.5
309.07535	7.7
311.05502	2.9
313.07001	100.0
314.07211	0.5
321.07642	0.4
323.05435	2.7
323.09033	14.9
325.07126	3.6
327.08545	2.0
337.06979	25.6
343.08069	6.1
349.06949	1.4
351.08545	6.2
355.08112	1.7
361.06873	0.4
367.08026	9.6
379.08069	9.1
397.09109	19.7
415.10159	19.6
433.11203	37.0
457.11313	0.7
475.12338	5.6
492.99524	0.4
499.11951	0.5
551.42407	0.3
577.15295	2.1
595.16449	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23857	1.2
51.39535	1.1
55.01838	1.7
58.16090	1.2
68.99762	5.9
69.03418	1.9
81.03394	2.2
85.02882	1.9
107.04939	3.4
108.17335	1.3
109.02895	2.3
111.00777	2.0
111.04379	1.9
121.02896	1.6
122.27065	1.4
122.82806	1.3
123.04405	29.1
127.03893	100.0
131.04915	3.4
135.04393	48.3
137.02292	2.3
137.05890	1.5
139.03888	85.9
145.02802	2.0
147.04378	3.1
149.02318	2.8
149.05963	2.3
151.03891	6.4
159.04395	6.7
163.03874	53.7
165.05525	2.1
167.03375	9.9
169.06416	2.9
173.05930	2.5
175.03865	2.7
177.05383	5.9
179.03360	6.5
181.04980	1.7
183.04376	1.7
185.05899	1.7
187.03822	10.6
189.05489	2.0
191.03383	13.1
193.05006	3.4
197.05908	2.4
201.05472	9.7
203.03395	10.3
205.04893	1.8
205.29028	1.4
215.06953	1.8
217.04816	1.4
229.04971	10.6
233.04456	7.5
243.06512	5.8
245.04364	3.4
247.05998	35.5
249.15483	1.9
255.06425	1.6
257.04330	13.7
259.05942	8.3
271.05896	12.3
275.05438	9.2
283.05823	10.3
287.05487	15.3
289.07022	11.0
299.05264	1.9
301.07074	10.3
307.08063	6.3
409.09018	7.5
425.08575	3.2
427.10092	7.9
463.69870	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	595.1448
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	2.6
68.99772	5.6
72.67753	0.5
79.05470	0.6
81.03408	3.3
85.02839	0.9
89.03947	0.7
93.03410	0.5
95.04953	1.0
99.04455	0.8
107.04913	5.4
109.02881	3.8
111.00799	3.0
111.04433	4.7
115.52979	0.6
119.04948	0.7
120.23746	0.5
121.02872	2.0
123.04413	23.6
127.03898	100.0
131.04901	3.3
135.04398	43.8
137.02306	3.5
137.05937	0.7
139.03891	75.6
141.06955	0.9
143.04869	0.6
145.06532	0.9
147.04388	2.8
149.02367	5.2
149.05974	2.1
151.03899	10.7
155.04874	0.7
157.06538	0.6
159.04433	5.2
161.05978	3.1
163.03874	48.3
165.05428	1.3
167.03369	9.4
169.05009	0.8
169.06448	1.0
173.05974	4.1
175.03903	3.9
175.07439	0.7
177.05452	6.6
179.03447	4.1
181.04955	4.0
181.06409	0.8
183.04398	2.0
185.05933	2.3
187.03818	6.0
187.07568	0.8
189.05521	3.1
191.03369	12.6
193.04964	4.7
195.06508	0.8
197.05905	4.0
201.05435	9.7
203.03378	9.5
203.07065	2.3
205.04964	4.7
213.05432	3.0
215.03415	1.1
215.07079	4.7
217.04941	1.3
223.05965	0.8
225.05481	0.8
227.07057	0.8
229.04915	12.1
231.06494	1.3
233.04440	7.1
237.05424	0.9
241.04889	1.1
243.06410	4.7
245.04413	5.9
247.05981	30.5
251.05609	1.7
255.06485	3.0
257.04407	10.0
258.05185	1.1
259.05954	7.8
265.04971	1.1
269.04480	0.9
271.05951	12.8
275.05484	9.1
283.05960	10.9
287.05466	14.4
289.07062	8.2
299.05521	2.6
301.07062	10.0
307.08032	8.6
319.08182	0.8
333.85394	0.6
340.30643	0.6
407.07465	0.9
409.09140	8.6
419.73755	0.6
425.08481	3.3
427.10162	6.4
443.10007	3.8
451.10229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01861	6.9
55.05499	19.1
57.07051	19.5
61.74751	3.1
61.88062	3.1
67.05494	61.4
68.80599	3.0
69.03400	20.5
69.07054	38.3
69.38823	3.0
71.04961	7.4
71.08622	6.6
76.29208	3.3
79.05464	31.2
81.03395	29.4
81.07041	100.0
83.08586	19.3
85.02886	43.7
87.00799	30.6
91.05453	20.7
92.09288	9.0
93.07021	37.7
95.08592	81.0
97.02869	27.1
97.06535	5.5
97.10137	5.9
99.04437	8.4
105.01847	7.7
105.07000	15.0
107.08588	31.2
109.02861	15.8
109.10152	42.0
111.11643	5.8
117.07007	6.0
119.08563	14.4
121.10125	22.8
123.08006	3.5
123.11676	21.1
127.03905	23.7
131.08534	7.1
133.10120	7.6
135.11658	19.0
137.13310	12.0
145.10139	7.2
147.11633	7.5
149.09610	7.5
149.13216	21.8
159.02834	7.2
159.11656	7.5
163.11206	6.4
163.14870	12.6
165.12781	4.4
173.13196	7.3
177.12798	11.6
180.03264	3.6
181.12221	4.0
219.20963	6.4
229.19490	20.3
247.20526	15.7
257.19019	5.9
265.21597	39.0
275.20087	30.1
275.27328	4.5
285.08350	4.0
285.59946	3.6
293.21100	45.6
293.28342	20.4
311.22031	71.1
329.23065	6.8
357.76038	3.7
594.28998	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	594.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
53.05624	0.4
55.05510	0.9
63.32071	0.4
65.03951	0.6
67.05490	2.3
68.99776	0.8
69.03422	23.8
69.07038	0.5
78.03438	4.3
79.05482	2.4
80.05003	3.3
81.03400	0.9
81.07029	4.7
83.08617	0.6
88.01557	0.5
91.05470	2.7
92.04988	0.8
93.07028	3.9
95.04966	0.7
95.08593	2.1
96.04488	1.2
104.04975	3.0
105.07024	3.3
106.02902	32.1
107.04920	0.6
107.08600	3.8
109.10155	1.1
112.00459	0.5
117.07027	0.9
119.08558	5.4
120.04453	4.7
121.06508	0.6
121.10126	2.0
122.06006	10.5
123.04432	0.8
125.09605	0.6
129.06987	1.0
130.02925	0.8
131.08508	2.9
133.10071	4.0
135.08038	2.1
135.11688	0.8
141.07022	0.8
142.07767	0.8
143.08559	3.2
145.06506	1.0
145.10144	4.3
147.08044	0.8
148.03925	87.0
155.08511	1.9
156.09377	0.6
157.10110	2.5
158.10933	0.6
159.08051	0.6
159.11606	0.9
160.03929	6.8
161.05997	0.6
161.09630	3.6
163.07558	0.7
167.08556	0.7
169.06470	0.6
169.10117	1.0
171.08069	2.8
171.11678	0.8
173.05966	0.8
173.09621	1.1
173.13246	0.8
174.03886	0.5
174.05502	0.9
175.14848	1.0
178.05006	3.2
179.08638	0.6
182.10970	0.7
184.07323	0.7
185.09631	0.6
185.13284	2.6
187.11212	3.0
187.14771	0.6
190.04988	4.4
197.09692	0.7
197.13281	1.0
202.04980	31.5
202.13518	1.0
203.05630	1.0
203.14267	3.0
209.13284	0.7
211.14856	0.7
214.08600	1.0
215.07054	1.2
216.06508	1.1
218.04445	1.2
222.10408	0.7
223.07570	0.7
239.14276	3.2
240.06544	2.0
241.12273	0.8
242.08089	1.0
257.15237	0.6
265.12125	5.9
270.07703	0.7
283.13248	3.2
301.14450	0.8
318.11237	2.0
330.10437	0.5
386.17453	1.1
404.18707	0.9
593.29205	2.9
594.26929	100.0
595.27118	1.3
610.59424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.52411	0.5
55.01862	3.3
55.05504	1.3
57.03428	1.5
58.30944	0.7
60.08167	0.6
61.02904	2.1
67.05490	1.3
68.99775	1.2
69.03427	8.7
69.07052	2.4
71.04969	1.0
73.02896	2.7
77.86145	0.5
79.05475	3.5
81.03412	9.5
81.07027	4.4
85.02892	19.2
86.09679	3.7
87.00812	7.7
88.52118	0.6
91.05475	5.5
93.07011	1.5
93.62554	0.6
94.04192	0.9
95.04962	1.0
95.08599	2.8
97.02876	11.2
97.06534	0.8
99.04423	3.3
103.03901	0.6
103.05482	1.0
105.01844	4.1
105.07021	3.6
107.08553	1.2
109.02864	6.6
109.06494	1.4
109.10143	1.0
111.04384	0.7
115.05450	7.2
117.01845	1.0
117.06988	3.0
119.04898	1.0
119.08540	0.7
122.03621	6.3
124.99989	3.5
127.03899	10.3
129.01822	1.1
129.06976	1.4
131.04863	0.8
135.08043	1.4
135.11723	0.7
137.05968	100.0
143.04906	9.3
145.04936	3.3
145.06483	1.0
146.03551	0.6
147.04451	1.0
147.08055	2.3
149.05994	1.4
151.03873	3.4
151.07484	1.3
157.06493	0.8
159.02869	3.6
160.05173	3.7
161.05963	5.3
163.03816	1.2
163.07516	17.4
175.07521	16.4
177.05437	0.6
178.07706	2.3
179.08537	7.8
184.07306	12.7
187.07504	2.7
189.06905	0.5
189.08995	0.7
191.08495	0.9
199.07582	0.8
201.08983	0.7
207.08026	7.8
208.08936	0.7
213.03923	0.9
213.08960	0.7
217.08546	4.9
219.08070	4.1
220.08730	0.7
221.06052	1.1
223.11171	0.7
224.08362	2.7
225.09155	0.7
231.04942	0.9
235.07495	5.2
236.08340	1.2
239.10660	9.5
247.07536	1.3
248.08200	1.5
251.10759	0.9
253.08418	1.1
267.10031	7.9
270.09024	0.7
275.20105	0.8
277.08582	1.2
279.10040	6.4
285.11307	2.3
290.66281	0.7
291.10233	0.9
297.11163	0.9
299.12772	23.5
303.10544	0.8
311.12759	15.4
313.14264	0.7
321.11337	1.2
323.12674	4.1
329.13907	2.7
335.12775	1.4
341.13855	2.5
353.13943	0.9
365.13681	2.4
367.11673	3.1
368.11954	0.9
389.13623	3.1
407.14816	1.5
511.16098	2.5
529.16919	1.4
547.17926	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	593.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12711	1.7
55.88000	1.8
57.07071	3.4
62.11489	1.8
67.05503	2.9
71.02741	1.9
71.08615	3.0
74.45526	2.0
81.03402	2.1
90.46703	1.9
92.08655	3.7
92.65076	2.0
93.88572	2.1
95.08601	3.1
185.52007	2.0
231.79842	2.5
266.88062	2.6
281.13593	13.3
403.24524	2.8
593.40155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
53.25941	1.2
55.01860	1.7
55.05510	2.5
55.67186	1.2
57.03413	2.2
67.05502	3.4
68.12424	1.3
69.03410	6.2
69.07066	2.6
74.16840	1.2
79.05472	8.4
79.50832	1.4
81.03401	5.9
81.07043	7.6
82.95425	1.6
85.02905	11.1
86.09705	1.7
87.00815	3.0
91.05452	12.1
93.07005	7.3
94.04193	1.7
95.08587	7.7
97.02866	3.4
97.06536	2.4
99.04415	2.5
103.05444	13.4
104.93179	1.4
105.01849	2.2
105.03374	3.3
105.07007	8.0
107.08586	9.4
109.02866	2.8
109.06510	3.1
109.10177	1.8
115.05428	7.8
117.06984	9.1
122.03650	1.9
127.03873	2.8
129.06978	6.7
131.04912	25.0
135.04410	1.9
135.08012	10.4
135.11575	1.5
137.05956	75.7
157.06473	2.0
159.02908	1.6
161.05933	2.7
163.03874	6.1
163.07512	100.0
175.07526	2.4
177.09012	1.6
184.07265	2.2
189.09053	12.3
191.08615	1.8
219.07962	3.0
239.10608	2.0
242.00385	1.7
244.11600	1.4
251.10619	2.0
258.70822	1.5
271.02441	2.0
278.47073	1.5
279.10040	7.1
293.21088	2.3
299.12805	2.8
311.12775	13.2
313.14310	15.5
354.52975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05499	2.2
56.96552	28.8
64.33049	2.5
67.05498	3.0
69.07066	3.8
71.95239	2.0
79.05474	4.0
81.07050	3.3
83.08602	2.2
85.02878	2.3
91.05470	3.8
93.07040	3.8
95.08572	3.8
100.57771	1.6
105.07043	1.9
107.08588	3.7
121.10133	2.0
128.93097	1.7
128.98619	2.6
129.19075	1.8
133.10201	2.5
161.01250	2.7
174.91542	2.0
189.04358	2.2
199.06424	11.6
200.67787	1.8
203.05777	3.3
217.07515	14.3
223.06432	2.6
229.07491	4.2
253.07471	3.4
255.09129	4.0
269.10779	2.1
285.10202	2.5
327.12646	2.2
333.98596	2.0
363.14819	6.8
381.15897	8.3
399.16901	13.8
425.17719	2.8
431.23874	2.9
465.21094	3.4
552.87708	2.1
593.29291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27264	1.9
55.01873	3.4
55.05499	5.1
57.03412	2.2
59.20851	2.2
63.44262	2.2
67.05473	3.4
68.85078	2.0
69.03416	5.3
69.07061	3.0
73.84736	2.2
79.05451	2.3
81.03413	2.6
81.07032	10.3
85.02890	4.9
91.05455	9.1
93.07042	9.3
95.04961	2.7
95.08593	9.4
97.02895	2.6
97.06502	4.9
104.74233	2.5
105.06973	3.6
107.08572	2.5
107.96549	2.3
114.95164	2.5
119.08544	2.2
119.25076	2.1
121.85026	2.2
122.05989	3.2
127.03847	2.4
137.02353	10.2
147.11778	2.3
163.03821	3.5
164.07127	3.2
164.10721	9.1
173.02394	4.7
197.10759	2.6
202.07402	4.3
211.08600	2.7
217.09689	3.5
225.10237	10.6
226.11061	14.9
228.08969	5.1
235.10646	3.4
236.41405	2.9
241.13437	4.9
243.11290	3.5
245.09039	3.4
261.08633	44.3
261.11453	3.6
271.10736	37.5
284.11459	17.9
285.12296	72.1
287.10214	36.6
304.00290	2.3
364.12720	33.0
364.16217	2.6
379.15207	4.8
391.16483	4.8
408.19080	100.0
438.20218	66.8
545.27692	5.3
575.19452	4.5
575.28534	91.4
593.29224	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
67.05503	2.6
69.03407	1.5
78.80018	0.7
81.07039	2.8
85.02859	0.9
86.09698	0.9
93.07022	0.8
95.08609	1.0
104.04977	0.7
104.57644	0.8
106.02911	1.1
124.99976	0.7
148.03923	3.9
158.55930	0.7
184.07336	1.0
185.04214	1.1
201.03694	0.9
202.05006	1.1
260.99930	0.8
268.33502	0.8
291.25348	0.7
328.33536	0.9
331.10083	3.0
425.18079	2.0
431.24173	2.9
465.20941	3.4
523.21619	1.0
593.29236	100.0
594.27380	5.2
595.41669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03201	0.3
52.56642	0.4
53.03928	0.5
55.05491	0.4
67.05482	0.9
69.03409	0.7
69.07054	0.7
70.43302	0.4
72.47723	0.4
79.05453	0.5
81.03390	0.6
81.07037	0.7
83.04976	0.7
85.02895	0.8
91.05444	2.3
92.05770	0.6
92.09361	0.9
93.07001	0.6
94.06551	0.5
95.08578	0.7
97.02887	0.4
102.77277	0.4
105.07029	0.8
107.08560	0.6
109.10104	0.4
119.04919	3.8
119.08575	0.5
120.05264	1.0
121.02818	0.9
122.06009	2.6
128.71365	0.4
136.07574	2.0
137.02327	11.4
138.02649	3.0
138.09093	0.8
147.04387	14.8
148.04747	4.6
153.28943	0.4
157.06181	0.5
163.03867	2.3
164.06998	0.8
176.06990	0.7
199.08774	1.6
200.09485	3.9
201.06581	2.1
201.10162	1.0
202.07368	7.2
213.10295	0.6
215.11777	4.5
217.09705	7.4
227.08101	5.4
228.08916	10.2
233.09200	5.8
241.09714	0.6
243.11200	11.5
244.11656	0.5
259.10788	8.4
261.08667	62.9
261.11908	1.9
262.08942	0.7
269.04425	0.8
271.10709	0.9
287.10211	100.0
288.10663	0.8
364.12567	0.9
398.17004	20.6
408.19217	4.1
424.18643	24.4
438.20248	2.3
517.62500	0.6
545.27289	2.1
563.27844	1.0
575.28778	3.2
593.29376	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	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.82082	0.3
63.57575	0.2
67.05497	1.0
81.07043	0.5
91.05416	0.3
167.62146	0.3
233.13567	0.3
235.12238	0.3
313.27371	0.5
387.16138	0.5
389.17569	1.7
401.17551	0.4
402.18423	1.0
403.19131	3.1
404.19965	1.2
405.20648	1.9
406.21472	0.4
411.26410	0.3
416.20447	0.4
417.16098	0.7
417.21335	4.2
418.21716	2.7
419.22446	4.4
430.17850	1.6
431.17947	8.1
431.23367	1.3
432.19467	2.6
433.24075	8.0
434.24561	1.6
435.25204	0.3
444.18881	0.5
445.19855	11.7
446.20648	5.8
447.21594	5.7
459.21207	3.7
460.22458	12.8
461.23196	11.8
462.24347	0.4
463.21274	0.5
473.23563	2.8
474.24359	1.1
476.25815	0.6
477.22702	0.6
487.24838	1.9
491.24423	0.3
492.25516	1.9
504.20715	0.3
505.21826	6.9
518.22760	0.6
519.23871	1.3
533.25391	35.1
561.25348	0.4
564.23785	1.2
593.27509	100.0
594.27875	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	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.07063	4.9
57.82251	2.0
67.05485	3.2
69.96099	1.9
81.07042	4.4
83.08592	2.5
92.08692	3.0
93.06996	2.6
109.10165	3.5
140.33220	2.2
157.06728	2.1
257.48901	2.3
266.49579	3.0
313.27167	3.8
318.76596	2.2
417.21146	2.8
419.22037	3.3
431.18695	8.9
432.19485	2.3
433.23688	11.9
445.20236	12.1
446.20883	2.9
447.21695	3.7
460.22342	13.9
461.23190	16.9
533.25378	50.9
593.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75894	0.8
55.05505	0.8
67.05509	1.2
81.07053	5.5
93.07037	1.8
95.08633	1.5
97.10122	1.0
105.06975	0.9
107.08617	1.3
109.10162	2.2
133.10075	1.1
156.97426	1.2
431.24133	1.3
464.65875	1.0
466.26953	1.0
481.20895	1.9
593.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01860	6.5
55.05502	19.9
57.03425	3.0
57.07071	6.8
62.65731	3.0
67.05489	12.1
69.03407	28.9
69.07028	3.1
71.04973	27.6
73.02876	3.9
79.05479	13.0
81.03384	20.6
81.07024	14.4
83.04968	21.4
83.08599	5.4
83.09093	2.9
85.02879	31.4
85.06519	26.4
87.00807	17.5
91.05444	10.9
93.07043	19.6
95.04958	38.1
95.08626	21.3
97.02895	20.0
97.06518	5.0
99.04442	40.9
99.08007	3.5
101.06004	22.9
105.01839	5.5
105.07006	21.8
107.04924	16.4
107.08576	22.1
109.02848	20.8
109.06520	33.2
109.10135	17.8
111.08070	6.5
117.07012	4.3
119.04959	2.9
119.08572	31.9
121.06525	4.1
121.10134	31.2
123.08057	42.5
123.11688	4.8
125.05982	5.7
125.09572	5.9
127.03938	20.6
129.07025	4.2
131.08546	25.8
133.10109	26.2
135.04343	3.9
135.08034	18.7
135.11661	5.3
137.02321	16.0
137.05988	3.2
137.09576	13.3
143.08574	5.3
145.10117	31.8
147.08018	6.1
147.11681	18.8
149.09619	20.3
153.09061	7.1
155.08604	3.9
156.09338	4.3
157.10132	27.7
159.08037	11.3
159.11693	4.3
161.09529	4.6
163.03857	15.2
163.11125	25.4
171.11661	22.4
173.09576	3.7
173.13255	33.5
175.11166	5.7
179.10658	3.5
181.12209	17.8
187.14790	14.4
189.12718	10.8
191.14328	40.9
197.13229	17.9
203.14400	3.9
209.15347	4.7
213.16385	6.5
215.06871	3.5
215.14328	35.4
217.12135	3.6
231.17210	3.8
233.15306	31.8
244.17332	3.3
255.17453	5.9
273.18448	44.0
291.19507	100.0
298.39236	3.0
309.20480	4.5
539.24664	3.9
561.18030	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	592.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
53.85305	0.6
55.01874	8.6
57.03434	6.9
61.02911	7.1
65.03912	0.9
68.99776	1.5
69.03415	36.8
69.35034	0.7
71.01337	1.3
71.04980	5.9
73.02905	7.7
81.03400	30.5
81.66842	0.7
83.01302	0.9
85.02892	84.2
87.00816	44.8
87.01361	1.2
91.03922	1.4
91.05451	4.6
97.02873	52.8
99.04438	15.0
105.01851	38.4
109.02863	31.0
111.04390	0.8
115.03951	1.0
117.01848	3.7
119.04908	18.9
123.04350	0.9
127.03895	58.5
129.01804	3.4
135.04355	1.4
137.05994	1.0
139.03876	1.2
145.04950	19.1
147.04391	100.0
159.02858	15.7
159.94400	0.7
163.03880	2.8
165.05438	20.4
213.03917	5.0
231.04955	15.5
249.06049	5.3
309.09641	0.8
327.10596	1.1
373.91544	0.9
395.09647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.5
53.03928	0.7
55.01848	0.5
55.05267	0.5
55.05506	9.1
55.09272	0.4
57.03426	0.5
59.04989	0.6
65.03931	0.4
68.99790	0.4
69.03425	3.3
71.04614	0.4
71.04983	8.4
72.70638	0.4
73.02917	0.5
73.06538	3.5
81.03409	3.4
83.04985	0.5
85.02888	5.0
87.00830	2.8
89.06013	6.9
91.05429	0.5
96.85879	0.4
97.02875	2.3
99.04424	1.5
105.01852	1.2
105.07014	0.5
107.04927	1.6
109.02893	2.6
111.04446	0.5
119.08557	0.4
121.02838	3.1
123.04436	0.4
127.03916	3.5
129.07013	0.7
131.08553	1.3
135.04344	0.5
137.02299	1.7
137.05949	0.5
145.05016	0.6
147.08040	0.4
149.02327	100.0
159.02884	1.3
161.05965	2.2
163.03879	2.4
167.03398	1.9
173.05888	0.4
175.07523	7.2
203.07018	7.7
215.06906	0.5
219.06517	0.7
221.08061	5.1
224.04880	0.5
235.23872	0.4
237.07576	3.5
269.04349	0.4
291.12265	4.6
309.13281	29.6
428.06750	0.6
557.18408	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	591.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
53.98502	0.3
55.05509	1.2
69.03436	1.5
70.96608	0.3
71.01376	0.3
79.05489	2.0
81.03410	4.3
83.04974	3.7
84.33942	0.3
85.02932	0.7
85.06493	0.3
89.03902	8.4
95.05001	0.3
97.02858	0.7
97.06530	0.6
105.24433	0.3
107.04951	3.2
109.02865	2.4
111.04432	0.5
117.03363	11.6
117.18685	0.3
127.03908	2.3
134.64569	0.4
135.02870	0.4
135.03349	0.7
135.04402	28.9
137.02330	64.3
137.03384	4.4
137.05983	1.4
145.01677	0.6
145.02844	18.0
155.03433	0.6
157.92374	0.3
163.03880	100.0
164.04160	0.5
175.07643	0.4
186.05295	0.3
222.99265	0.3
253.24400	0.3
337.60611	0.3
461.10803	2.3
461.81363	0.3
478.88495	0.4
540.65515	0.3
556.56250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88448	2.3
55.05499	11.8
58.48963	2.6
62.67341	2.3
67.05489	14.4
69.03428	3.8
69.07052	12.4
71.08597	3.7
73.00574	2.5
79.05460	17.9
81.03385	4.0
81.07058	24.2
82.35538	2.3
83.04993	3.5
83.08591	2.7
85.02887	4.6
85.06588	2.9
86.09692	39.5
86.28938	2.6
89.75255	2.6
91.05463	17.0
93.07019	18.4
95.08587	23.1
97.06499	5.1
105.07022	5.5
107.08555	11.3
109.02930	3.2
109.10142	6.7
117.07020	12.0
119.08534	11.5
121.10112	4.3
122.06024	4.5
129.06972	3.6
131.08548	5.0
132.10182	12.5
133.10107	5.2
135.08057	3.1
135.11641	3.7
143.08511	4.8
145.10109	9.9
147.04433	3.3
163.03874	4.1
163.11168	3.0
173.13225	3.6
176.79617	2.6
189.16351	3.5
201.12692	4.2
203.54700	2.7
245.16379	4.3
273.15887	24.7
291.13626	4.8
292.14432	4.1
308.22247	4.0
326.23206	11.3
334.19040	3.2
336.13315	53.9
348.13351	5.9
350.15024	19.7
351.15659	5.7
362.14938	11.2
375.25327	4.2
377.13467	5.8
378.18051	41.7
380.19705	16.9
392.19556	13.4
406.17535	100.0
408.19104	4.7
436.18536	53.0
454.19324	12.4
559.17706	6.8
568.30920	3.2
573.26807	40.7
591.19867	29.3
591.27850	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05483	2.1
67.05470	9.0
69.03395	2.6
69.07066	2.7
79.05463	4.3
81.03408	1.9
81.07024	12.4
85.02894	2.5
91.05447	3.8
93.07018	4.7
94.06522	2.6
95.08622	7.8
97.06532	3.0
107.08574	2.7
108.08110	10.2
109.10112	2.2
112.87663	1.9
119.04931	2.9
119.08562	3.9
122.06006	14.0
136.07538	18.0
137.02293	8.3
138.09128	13.2
147.04391	3.5
163.03874	10.9
164.07034	54.0
164.10669	2.3
192.86821	1.8
204.06502	11.2
215.04610	2.0
215.06935	2.8
229.06168	2.8
245.09047	2.0
246.07533	2.5
259.09494	2.8
269.09100	7.3
271.67157	1.9
289.11786	9.5
291.13464	2.0
314.14905	3.8
315.13461	2.8
331.12714	4.1
332.13885	3.1
334.11520	2.2
334.15485	2.4
347.16208	4.0
348.13354	13.7
362.14780	12.9
362.18701	4.0
363.15952	2.7
376.12729	11.7
377.13641	4.3
378.18134	8.5
380.19922	13.9
390.14215	9.1
391.15167	38.8
405.16571	2.0
406.17517	100.0
408.19080	2.3
428.21930	3.8
436.18692	15.7
452.18088	7.6
454.19458	9.9
543.25909	15.8
573.26929	42.8
591.19586	12.7
591.28094	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.2
53.03952	0.5
55.01885	0.5
55.05512	0.3
63.02391	0.3
69.03431	1.6
75.86686	0.2
79.05495	1.3
81.03395	4.2
83.04939	1.8
84.96087	0.3
85.02912	0.6
89.03899	7.4
93.89604	0.2
95.04964	0.4
95.17830	0.2
95.33179	0.2
97.02888	1.2
97.06540	0.5
99.04476	0.3
99.75619	0.2
107.04939	3.5
109.02879	2.1
111.04439	1.9
117.03370	9.9
127.03899	2.5
135.04401	26.0
137.02332	65.3
137.03392	4.9
138.02666	0.4
145.02838	17.4
155.03397	2.1
163.03882	100.0
164.04289	0.4
166.88425	0.2
171.97409	0.2
215.06975	0.3
259.09616	0.3
273.15558	0.3
281.06491	0.6
299.05209	0.4
393.17233	0.3
461.10388	1.4
559.17175	1.0
590.27002	0.3
591.19373	1.2
591.27563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.2
53.03952	0.5
55.01885	0.5
55.05512	0.3
63.02391	0.3
69.03431	1.6
75.86686	0.2
79.05495	1.3
81.03395	4.2
83.04939	1.8
84.96087	0.3
85.02912	0.6
89.03899	7.4
93.89604	0.2
95.04964	0.4
95.17830	0.2
95.33179	0.2
97.02888	1.2
97.06540	0.5
99.04476	0.3
99.75619	0.2
107.04939	3.5
109.02879	2.1
111.04439	1.9
117.03370	9.9
127.03899	2.5
135.04401	26.0
137.02332	65.3
137.03392	4.9
138.02666	0.4
145.02838	17.4
155.03397	2.1
163.03882	100.0
164.04289	0.4
166.88425	0.2
171.97409	0.2
215.06975	0.3
259.09616	0.3
273.15558	0.3
281.06491	0.6
299.05209	0.4
393.17233	0.3
461.10388	1.4
559.17175	1.0
590.27002	0.3
591.19373	1.2
591.27563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37904	3.2
54.81608	3.9
55.05498	6.4
57.03424	17.2
57.07073	55.8
58.82175	2.7
59.34220	3.3
63.39202	3.2
63.48681	3.1
67.05199	3.7
67.05495	40.5
69.07047	24.7
71.08611	33.2
79.05480	9.5
81.07047	44.8
83.08614	6.0
85.06531	4.8
85.10162	19.1
91.05455	39.5
93.07032	15.6
95.04913	5.0
95.08591	25.2
97.10144	4.4
105.07021	31.8
107.08594	35.1
108.72290	3.2
109.06426	3.8
109.10144	62.0
119.08539	5.9
122.35541	3.9
123.11663	6.9
127.14333	3.5
127.78933	4.3
133.10120	98.3
151.11185	42.4
158.63728	4.3
161.09634	28.1
167.15811	3.9
169.12212	4.2
171.48174	4.7
179.10629	16.9
187.47383	3.7
205.53909	4.2
215.12785	20.2
218.29459	4.3
253.14317	27.2
313.27341	100.0
313.77771	4.2
317.15903	65.1
448.09604	4.0
509.37836	4.7
555.38971	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	3.7
55.05506	30.7
57.03228	1.9
57.03436	33.8
57.06627	2.1
57.07070	56.6
67.05493	42.8
69.03402	1.9
69.07048	11.1
71.01337	14.5
71.08619	35.6
72.51252	1.6
73.02906	2.0
76.62989	1.9
79.05476	30.8
81.03391	14.9
81.07050	39.9
82.61676	2.0
83.04971	5.1
83.08609	23.7
85.10183	20.9
91.05445	20.1
93.07016	13.4
95.04951	4.0
95.08586	34.3
95.38219	1.9
97.06516	2.3
97.10150	11.1
104.84296	2.1
105.07021	11.1
107.08627	17.1
109.10120	24.5
117.07003	2.6
119.08517	3.6
123.11700	2.5
125.09673	2.2
128.06250	3.0
133.10106	3.1
135.08014	4.3
137.09660	2.8
147.08061	2.3
153.09128	3.1
156.51581	2.4
162.65724	2.5
225.11259	8.6
246.15724	2.3
299.14844	80.6
313.27313	100.0
343.80072	2.3
488.68417	2.2
537.37805	48.3
577.30505	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	590.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
54.81480	1.5
55.01855	1.2
55.05500	13.7
57.03427	28.2
57.07069	60.8
59.54546	1.0
66.05837	1.5
67.05495	24.8
69.07056	16.5
71.05003	1.3
71.08614	40.1
79.05470	15.1
81.03399	99.0
81.06607	1.9
81.07040	34.3
83.04961	6.5
83.08595	26.3
85.10171	18.9
89.06034	2.6
91.05469	22.9
93.07024	18.1
95.04948	29.3
95.08581	30.7
97.06506	2.2
97.10136	12.1
99.11707	1.6
103.07587	1.4
105.07023	18.4
107.04939	8.7
107.08560	5.7
109.06510	2.8
109.10136	11.5
111.04440	2.7
111.08047	7.5
119.08555	18.8
121.06407	2.2
121.10112	9.1
123.08043	1.3
123.11680	3.2
129.06992	15.7
131.08528	8.6
133.06448	5.3
133.10130	6.2
142.07716	2.4
145.10065	1.5
147.07986	1.6
147.11658	8.3
149.09587	6.9
157.10121	11.0
175.11139	9.0
193.12227	26.2
239.23773	1.6
249.14847	1.6
259.20386	1.5
267.12997	3.3
267.15842	87.2
313.27335	100.0
314.27509	6.0
505.38779	86.1
505.46295	2.9
506.39163	2.3
554.41235	1.8
555.41705	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	590.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.1
55.05495	39.4
57.03425	12.1
57.07059	7.9
61.02908	28.1
65.09455	5.1
67.05491	47.7
69.03387	10.5
69.07049	11.7
75.93286	6.7
79.05475	54.5
81.03383	10.3
81.07053	53.3
83.04966	10.6
83.08606	7.9
85.02903	11.6
90.79536	5.2
91.05448	100.0
91.13103	6.1
91.69120	5.5
93.07013	43.5
95.04946	8.2
95.08575	31.2
105.07007	74.5
107.08601	10.9
117.06995	78.9
119.08591	31.5
121.10119	10.0
129.06976	54.2
131.08548	65.7
133.10133	24.4
136.46509	6.6
141.06979	42.5
143.08598	23.8
145.10086	48.0
149.09615	9.8
155.08504	31.1
157.10121	28.5
159.11742	9.5
159.98642	6.7
169.10039	12.7
171.11612	7.8
172.73344	6.2
173.09666	9.8
173.13277	13.1
183.11710	13.0
201.16119	6.2
210.33830	6.1
245.34764	6.6
267.20926	12.0
285.22015	28.1
293.17392	10.7
377.26651	46.2
564.08887	7.0
581.80463	6.5
581.88885	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	590.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05387	1.8
51.05662	1.8
55.01869	5.2
55.05509	24.1
57.03431	17.9
57.07071	3.6
61.02920	29.3
67.05485	49.9
69.03412	12.2
69.07051	14.2
71.04987	3.7
71.08611	11.3
73.02888	5.2
79.05475	44.4
79.36510	2.5
79.69680	2.2
81.03399	13.5
81.07047	29.1
81.56581	2.4
83.04953	13.0
83.08613	3.5
85.02898	21.3
88.81450	2.4
91.03929	5.8
91.05466	100.0
91.18377	2.2
93.07017	38.5
95.04970	5.6
95.08588	23.2
95.85234	2.2
97.02850	19.2
97.06503	4.2
99.04407	2.8
99.08099	5.3
105.07017	44.1
107.04947	3.3
107.08582	16.3
108.28764	2.6
109.10133	3.1
111.08047	2.7
115.05424	10.3
117.06224	5.0
117.06999	92.7
119.08522	23.9
121.06516	4.2
121.10110	16.4
127.03902	5.9
128.06187	12.9
129.05463	4.8
129.06979	54.5
131.08548	72.8
133.06483	3.0
133.10097	12.6
135.08037	16.2
135.11641	3.7
141.06970	53.4
142.07727	4.2
143.08543	33.6
145.10089	37.9
147.11717	3.1
149.09618	9.8
154.07765	4.1
155.08545	30.3
157.10086	29.5
159.11639	22.3
161.09552	9.2
163.11118	2.7
167.08533	3.1
168.09323	5.0
169.10095	34.4
171.11620	13.6
173.09610	4.0
173.13264	15.1
181.10066	3.4
183.11658	28.6
185.13239	9.4
187.11191	13.0
187.14767	11.4
197.13196	6.1
199.14864	2.8
201.12805	11.5
201.16362	4.8
207.11143	3.1
225.16444	3.4
241.19510	4.8
243.20978	4.7
257.18814	3.0
257.22662	3.5
263.21078	2.5
267.21060	18.7
285.22107	37.2
293.17453	10.0
300.11411	2.8
377.26797	25.7
423.02222	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	590.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
53.27527	3.6
55.01867	7.6
55.05501	17.8
57.03420	28.7
61.02920	29.3
61.03171	3.3
61.18209	3.9
62.51137	3.3
65.15889	4.0
67.05500	64.5
67.77415	3.6
69.03417	8.8
69.07044	25.2
71.04962	19.1
71.08624	51.7
74.48312	3.8
75.05261	3.9
75.06684	3.5
79.05476	66.1
80.31911	4.0
81.03395	22.3
81.07047	54.9
83.04977	18.3
85.02898	30.3
85.06516	4.7
91.03924	8.9
91.05469	95.7
92.81866	4.9
93.07026	45.2
95.04942	25.6
95.08601	29.4
97.02865	22.5
97.06512	17.0
99.08075	27.6
105.07018	62.8
107.04953	9.7
107.08587	32.6
109.02833	4.9
109.06516	8.8
109.10110	8.5
115.05397	9.0
117.07005	100.0
119.08548	48.3
121.06505	8.7
121.10128	16.0
123.08051	6.8
128.06198	20.0
129.05432	5.2
129.06981	77.6
131.08556	92.2
133.06488	9.4
133.10100	18.5
135.08028	17.5
141.06967	50.0
141.12692	9.4
143.08539	47.4
145.10086	42.8
147.08080	8.7
147.11676	7.7
154.07808	5.5
155.08543	44.1
157.10062	35.7
159.08060	9.9
159.11664	26.7
161.09618	8.7
161.13289	7.0
162.33548	4.3
167.08542	17.6
169.10101	40.7
171.11668	23.9
173.13287	8.8
175.11099	4.8
181.10114	21.1
183.11673	25.9
185.13266	21.4
187.11122	32.0
195.11673	5.3
199.11169	9.5
199.14821	10.1
201.12749	22.6
203.14365	7.3
213.12759	5.4
217.15898	6.3
219.13766	4.9
236.07761	4.6
239.18021	7.9
265.19513	7.1
283.20428	28.8
293.17468	50.9
301.21585	25.2
324.33759	4.1
345.75595	4.3
375.25287	65.6
393.26169	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	590.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24006	2.2
53.03933	4.3
54.51238	2.2
54.51812	2.0
55.01867	12.3
55.05511	23.2
57.03436	33.4
57.07065	5.1
61.02917	24.4
62.54103	2.7
67.05492	56.9
69.03416	17.1
69.07053	21.8
70.19899	2.4
71.01942	2.2
71.04978	18.0
71.08622	30.7
73.02902	5.9
79.05478	71.0
79.05904	4.3
81.03408	16.9
81.07040	40.8
81.08280	2.9
82.81891	2.8
83.04972	17.8
83.08612	4.5
85.02902	21.8
85.06568	5.3
91.05468	100.0
92.08668	8.6
93.07031	67.1
95.04945	23.6
95.08594	27.3
96.15621	2.5
96.40140	3.0
97.02872	12.5
97.06512	15.1
99.04425	3.4
99.08091	14.2
103.03961	4.8
105.07024	67.1
107.04967	11.0
107.08589	25.3
109.06526	5.5
109.10155	13.9
110.63824	2.6
115.05480	11.2
117.07001	77.7
117.07767	5.1
118.53170	2.4
119.08575	36.5
121.06501	12.7
121.10157	20.5
122.93665	2.9
123.08063	6.1
125.82525	2.6
127.03870	2.9
128.06219	11.7
129.05486	5.3
129.06989	60.4
131.08543	66.8
132.15598	2.5
133.06503	11.3
133.10129	20.4
135.08031	22.7
139.11172	3.2
141.06975	44.1
141.12740	6.0
142.07797	6.0
143.08556	45.0
145.06465	4.9
145.10109	37.2
147.08063	12.3
149.09598	5.3
154.07733	4.8
155.08540	34.6
157.10101	30.1
159.08073	5.5
159.11684	25.4
161.09637	10.1
161.13406	3.4
167.08513	11.5
169.10117	34.6
171.11652	17.6
173.09651	4.6
173.11827	2.8
173.13231	17.6
175.14806	3.6
181.10068	5.8
183.11700	27.9
185.09673	6.0
185.13249	19.5
187.11159	19.2
195.11700	6.6
197.13284	3.1
199.11168	4.9
201.12691	27.7
203.14282	9.2
211.93802	3.0
217.15898	3.8
219.13809	4.4
239.17891	3.9
241.19496	6.4
242.55801	3.4
255.20958	3.9
265.19611	3.7
283.20630	21.2
293.17438	48.4
301.21643	20.3
354.25839	2.8
375.25211	50.4
393.26239	16.3
418.18649	2.9
488.47595	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	590.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.81927	0.6
55.01857	2.9
55.05500	1.1
57.03442	0.7
63.68064	0.5
65.03927	1.1
65.93533	0.5
69.03421	2.5
71.04958	0.6
74.78174	0.5
78.57955	0.6
79.05479	4.9
80.19170	0.5
81.03401	1.4
81.07036	0.6
82.62601	0.5
84.10155	0.5
85.02890	1.5
87.00826	0.6
91.05465	24.7
92.09279	0.9
93.06998	2.0
94.04177	0.8
95.04947	3.1
95.08592	0.7
97.02860	0.7
97.06517	2.7
99.04410	0.9
103.05453	48.8
105.03366	4.0
105.07011	23.3
107.04968	4.9
107.08603	0.7
109.02882	1.3
109.06514	5.2
109.57057	0.5
110.26786	0.5
111.04428	2.3
115.05435	5.4
117.06974	0.9
118.04134	0.9
119.04918	27.4
119.08570	1.0
121.06493	3.9
122.03562	2.1
123.04375	0.7
123.08015	2.6
124.05194	3.1
125.05997	1.0
127.03954	0.9
128.06227	0.7
129.06981	1.1
130.04143	0.7
131.04912	100.0
133.02820	1.4
133.06471	20.0
135.04387	2.9
135.08005	1.0
137.02303	0.8
137.05959	33.9
143.06006	1.4
144.05673	1.0
145.06458	2.4
147.04402	13.0
147.08044	2.3
149.05959	3.0
150.06725	1.4
151.03899	1.2
151.07518	8.1
153.05473	2.3
157.06474	0.7
159.08023	3.5
160.05183	0.7
161.05954	37.1
161.09589	1.3
162.06726	5.9
163.03879	3.9
163.06232	1.1
163.07526	25.2
167.07033	0.6
172.05180	3.4
174.06763	0.7
175.07497	6.4
177.05452	2.5
179.07063	4.1
187.07497	14.9
188.08279	2.8
189.09027	0.7
191.08557	0.9
201.05550	0.7
203.07002	1.0
203.08678	1.0
205.06638	0.8
205.08556	3.6
206.07199	0.9
206.09381	0.6
207.08110	1.1
209.09764	0.7
215.06870	1.0
217.08543	4.8
218.07187	0.8
219.08096	2.4
247.07616	1.4
249.08948	2.4
251.07214	0.9
251.10677	2.6
259.09637	1.3
260.10022	0.8
264.07819	0.7
265.08484	2.4
271.16922	0.8
277.08340	2.3
277.11072	0.8
279.10034	1.5
281.11578	1.0
285.11154	2.3
289.18045	0.7
291.10086	0.7
295.09476	0.7
297.11044	2.4
307.09607	2.6
309.11172	5.7
310.11777	1.4
311.12698	3.0
315.12299	2.8
321.11111	2.3
322.91772	0.6
323.12479	0.7
325.10562	0.9
327.12216	12.5
339.12253	2.2
340.12930	2.5
358.13873	0.9
414.91135	0.6
421.14813	0.8
440.92114	0.7
477.03348	0.6
489.18771	0.8
510.66507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	35.2
57.03417	38.6
57.07067	89.2
67.05482	60.6
69.07056	12.0
71.04951	6.9
71.08607	43.9
79.05473	74.6
81.07040	71.3
83.08601	14.3
85.10179	11.5
86.24362	6.9
90.38567	6.4
91.05469	87.4
93.07018	73.4
95.04951	10.8
95.08572	50.3
105.07014	100.0
107.08567	34.1
109.10139	14.0
117.06988	15.6
119.08562	73.5
121.10156	10.6
129.06975	12.6
131.08548	35.5
133.10100	60.9
134.55180	8.6
135.11693	14.0
145.10109	31.3
147.11635	54.1
159.11623	15.9
161.13225	18.0
173.13184	15.3
185.13229	8.8
186.33649	9.9
211.41260	9.1
241.19434	30.4
259.20486	74.2
313.27408	83.3
333.24326	57.5
355.13812	8.6
483.39670	9.8
589.47284	14.1
616.52277	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	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
54.02710	0.5
54.42927	0.5
55.01870	4.9
57.03420	3.8
59.80434	0.5
61.02909	3.4
62.74634	0.5
67.66045	0.5
68.99768	1.5
69.03418	15.0
69.30179	0.6
71.04974	1.4
73.02899	2.4
79.05476	1.5
81.03402	13.0
81.07039	2.4
85.02898	17.1
87.00819	11.8
91.05463	6.8
92.09370	2.4
94.04165	2.8
97.02877	6.7
97.06506	3.8
99.04428	3.5
103.05425	5.8
105.01871	2.6
105.06999	5.5
107.04943	3.1
108.27613	0.8
109.02866	10.0
109.06516	1.5
115.05444	4.5
117.01874	1.1
117.07006	2.8
119.08559	4.9
121.61854	0.5
122.03625	8.0
127.03894	10.4
128.06198	4.2
129.01816	0.9
129.06989	3.9
131.04919	9.8
132.05696	6.0
133.06438	1.5
135.04358	1.1
137.02321	3.5
137.05960	100.0
140.34599	0.6
141.06923	1.0
143.04970	1.0
145.04988	1.2
145.06462	2.8
146.03627	1.2
147.04399	1.0
147.08017	9.1
149.05939	0.8
156.05592	0.8
159.02858	3.1
159.08015	0.9
160.05170	3.7
161.05945	9.2
163.03877	3.1
163.07518	12.2
167.06944	0.7
167.41626	0.6
169.06502	1.3
171.08054	2.5
175.07518	48.0
184.05147	3.0
186.06676	1.0
187.07588	5.2
190.07706	0.9
191.08571	4.7
195.78687	0.6
199.07506	12.2
201.08983	1.3
202.07716	6.5
203.08521	11.3
205.06342	1.0
215.06915	1.2
218.07320	0.8
219.08083	7.8
220.08818	3.7
231.08020	14.4
232.08743	2.7
235.07570	1.0
247.07584	4.2
248.08253	6.4
249.08963	1.2
251.10469	5.5
259.07458	7.9
259.09738	2.1
260.08221	1.4
261.09216	0.9
263.10681	6.7
275.06964	0.8
276.07773	3.7
277.08609	4.3
279.10114	3.2
291.10208	10.7
292.10873	4.0
293.07968	2.6
295.13141	0.7
308.10483	3.2
311.12711	7.2
323.12720	19.3
325.14346	3.7
551.32904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.01864	3.6
55.05507	22.8
56.47669	1.7
57.03429	9.0
57.07070	11.3
61.02897	2.8
67.05492	35.4
69.03421	20.7
69.07051	40.8
71.04987	4.1
71.08628	2.1
73.02903	2.8
79.05479	37.9
80.70425	1.6
81.03403	22.4
81.07037	90.5
83.04951	2.8
83.08601	19.0
85.02892	36.8
85.06576	2.4
87.00825	18.6
88.91199	1.9
91.05474	24.5
93.07021	69.2
93.07569	3.5
95.04933	9.7
95.08589	100.0
96.05264	1.9
97.02870	26.2
97.06508	7.1
97.10146	15.0
97.36698	1.9
99.04427	11.1
105.01845	10.1
105.07018	26.6
107.08582	57.6
109.02862	14.8
109.06497	4.2
109.10143	56.5
111.04455	2.5
111.08086	2.2
111.11695	4.3
117.06979	2.2
119.08551	25.4
121.10118	44.1
123.04371	2.5
123.11672	25.4
125.09615	4.9
127.03894	23.0
131.08598	7.9
133.10106	48.1
135.11684	34.8
137.09598	8.5
137.13242	3.3
142.07791	2.5
143.08530	3.0
145.04933	3.8
145.10100	3.0
147.04405	4.2
147.11629	17.2
149.13240	47.0
151.11214	4.2
153.01830	11.9
159.02869	2.0
159.11693	12.2
161.13260	8.0
162.92973	1.8
163.03896	4.5
163.14777	13.8
165.12743	3.9
165.16345	2.1
175.14824	9.1
177.16391	2.6
177.49190	2.3
215.03238	2.0
259.24057	16.5
269.22522	3.7
271.02142	2.4
277.25125	16.6
287.23706	9.6
293.24670	12.0
305.24716	66.4
323.25729	34.7
379.04462	3.9
401.57208	2.5
407.03680	2.5
451.03415	3.5
457.93158	2.0
464.29001	2.6
468.95685	2.7
495.94659	2.0
589.09393	9.0
589.26849	2.4
613.79041	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	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99789	0.5
53.03928	2.8
55.01868	1.3
55.90210	0.6
57.03426	1.1
61.02901	0.7
69.03409	9.5
71.04996	0.8
73.02888	1.3
79.05476	2.6
81.03386	8.4
81.06994	1.0
83.04969	2.5
85.02888	12.0
87.00818	5.1
91.05453	4.1
92.08708	0.9
94.04153	3.2
95.04962	0.9
97.02885	3.9
97.06506	2.5
99.04433	2.4
103.05460	0.9
105.01829	2.8
105.07007	8.1
107.04935	1.1
109.02868	6.3
109.06500	3.1
115.05430	2.6
117.06991	1.0
119.04837	0.7
119.08533	2.8
121.06477	0.8
122.03625	8.3
127.03868	8.5
129.06949	1.2
131.04926	1.3
132.05687	2.9
133.06459	6.0
133.10051	0.9
137.05952	100.0
143.04906	1.3
144.05695	1.1
145.05002	1.3
145.06419	1.0
146.03574	0.7
147.04413	1.1
147.08009	3.8
149.05986	1.5
151.07521	0.9
153.02011	0.7
155.04849	1.2
159.02850	2.8
159.08022	4.2
160.05215	1.0
161.05936	12.5
163.03873	1.4
163.07486	0.8
172.05208	0.8
173.06026	1.0
175.07512	23.1
182.40268	0.7
184.05179	0.7
185.06007	0.8
187.07510	8.7
189.05438	0.8
189.06963	0.9
190.07755	3.2
191.08513	10.6
199.07498	5.7
202.07777	4.2
203.08470	6.4
207.07874	0.6
218.07271	3.1
219.07993	16.1
220.08778	3.2
229.04803	1.2
231.07965	7.8
232.08748	1.5
235.07556	0.8
236.08363	2.6
247.07506	7.0
248.08322	5.7
249.09171	0.8
251.10606	21.4
252.11139	0.7
253.08418	0.6
257.03979	0.6
259.07373	4.8
260.08429	1.0
261.09091	1.2
263.10654	2.7
264.07614	1.1
265.08630	1.3
268.10751	0.7
275.10474	0.9
276.07776	2.9
277.08441	1.2
279.10104	11.2
280.10876	1.1
281.07919	1.1
291.10025	8.8
292.10745	1.1
293.07986	0.7
296.10358	1.0
303.10239	0.8
308.10577	0.7
311.12729	22.9
321.11295	1.0
323.12677	13.8
335.12753	1.1
341.13794	0.8
401.13831	0.8
589.40894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	33.8
59.52757	6.1
66.09065	7.7
67.05496	50.1
69.07070	12.0
79.05481	52.5
81.03413	13.2
81.07053	43.4
83.04977	8.3
83.08622	15.2
91.05452	51.5
92.09351	14.4
93.07021	46.2
95.04945	53.9
95.08591	17.4
105.07014	52.8
107.04933	11.2
107.08606	36.3
109.10179	10.6
117.07010	9.8
119.08565	33.7
121.06467	6.7
121.10128	29.5
123.08051	8.3
131.08543	17.5
133.10115	36.2
137.27252	6.9
145.10112	34.0
147.11671	9.5
149.09654	15.4
159.11676	14.2
163.11171	42.4
177.85942	6.7
223.13354	17.5
275.19995	100.0
293.21136	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01855	10.9
55.05503	21.9
57.03430	21.3
57.07065	67.5
59.04976	2.0
65.03946	1.7
67.05492	41.9
68.87225	1.6
69.03394	2.2
69.07048	20.9
71.01334	6.7
71.04966	6.3
71.08614	37.0
79.05469	35.9
81.03395	40.5
81.06543	1.8
81.07036	48.6
83.01299	2.5
83.04965	18.3
83.08611	22.4
83.44266	1.5
85.02882	3.9
85.06538	3.8
85.10168	21.7
91.05461	20.2
92.08550	1.4
93.07018	39.6
95.04947	15.0
95.08583	45.6
97.02867	13.6
97.06510	17.0
97.10117	6.9
105.07021	13.0
107.01110	1.7
107.04952	23.4
107.08561	18.8
109.06497	16.0
109.10144	16.1
111.04430	38.9
111.08021	3.5
111.11662	2.1
117.07022	12.8
119.08576	21.5
121.06487	10.1
121.10100	17.1
123.08047	7.8
123.11713	2.1
125.05984	9.0
125.09593	3.7
126.31929	1.9
129.06920	2.3
131.08540	13.7
133.10124	3.7
135.08090	2.9
135.11679	18.8
137.09595	3.2
145.06558	2.4
145.10106	35.2
147.08014	7.3
149.09566	3.4
153.12746	10.0
155.08539	2.7
163.11154	36.5
166.00580	1.5
173.09607	13.5
181.12286	1.9
191.10641	9.8
209.11703	9.7
223.13251	30.1
227.12729	2.3
239.23502	1.8
241.14281	43.6
264.34540	1.8
265.14267	11.7
283.15350	19.4
313.27304	100.0
315.17947	52.4
328.23917	1.7
351.54837	1.6
503.36938	8.9
521.38287	70.0
553.40948	63.2
607.46979	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	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48700	1.8
53.00296	2.5
53.03919	3.0
55.01859	25.8
55.05500	16.8
57.03435	24.2
61.02922	20.8
65.12054	1.8
67.05497	48.3
69.03423	12.1
69.07057	29.3
71.04976	11.0
73.02892	10.2
75.58589	1.9
79.05051	3.5
79.05476	67.6
81.03389	11.6
81.07045	50.2
83.04980	15.7
83.08610	5.3
85.02889	18.1
85.06524	8.5
86.01469	2.0
91.03942	8.8
91.05463	100.0
93.07025	60.7
95.04942	19.3
95.08589	30.5
95.52374	2.0
97.02872	13.6
97.06521	16.4
99.04415	5.2
103.03940	2.7
103.05444	11.4
105.07020	65.7
107.04959	15.8
107.08595	25.4
109.02873	3.0
109.06510	9.1
109.10153	3.2
109.33345	2.3
111.04440	12.5
111.08063	4.8
115.05441	4.9
116.06226	2.7
117.07000	76.5
117.07836	2.5
119.08557	37.2
121.06480	23.2
121.10112	21.7
122.21336	2.3
123.08032	11.5
127.03926	4.3
127.75079	2.2
128.06213	15.1
129.05443	9.1
129.06981	57.6
130.07773	2.9
131.08543	78.4
133.06454	10.7
133.10059	16.4
135.08029	17.8
135.11732	4.1
137.09602	3.4
139.11205	2.8
141.05986	4.2
141.06979	61.9
142.07774	8.6
143.08549	35.6
144.74850	2.4
145.06482	10.5
145.10097	32.8
147.07986	4.5
149.09601	8.8
153.06958	9.0
154.07802	13.8
155.04739	2.6
155.08533	38.1
156.09325	4.5
157.06508	3.3
157.10120	30.4
159.08110	5.6
159.11624	21.4
161.09601	5.1
161.13245	4.0
167.08539	13.5
168.09322	3.7
169.10112	38.4
171.07986	3.9
171.11693	18.6
173.09619	5.0
173.13255	12.7
175.11147	5.0
175.14882	2.7
178.07797	2.3
181.10095	13.7
183.08038	2.6
183.11650	31.0
185.09622	10.3
185.13235	10.3
187.11171	23.2
187.14905	3.5
189.12787	3.5
191.08435	2.2
193.10165	5.3
195.11646	8.6
197.13232	9.7
199.11072	4.1
201.12738	16.7
203.14168	3.8
205.12138	3.4
207.11754	4.4
209.13261	3.4
211.11143	4.1
215.14229	4.0
221.13098	3.4
225.12643	3.6
229.12230	3.6
239.18167	3.5
253.19609	5.1
263.17911	3.9
279.15924	37.2
281.00778	2.7
281.18893	12.6
288.40726	2.4
293.17410	31.5
299.20050	11.8
317.21033	3.5
373.23669	37.6
391.24615	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	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01870	44.9
55.05264	2.1
55.05508	36.4
56.02127	1.5
57.03413	14.2
59.64482	1.5
61.02918	14.6
63.63249	1.4
65.03939	3.2
67.05496	47.2
69.03418	1.8
69.07055	40.2
71.04973	2.8
72.95739	1.7
73.02921	2.2
79.05004	1.9
79.05473	74.7
81.03395	7.9
81.07040	92.2
83.04965	20.2
83.08604	21.0
84.72762	1.6
84.88439	1.7
85.02890	12.4
85.06538	3.0
91.03954	2.8
91.05461	94.1
93.07019	50.9
95.04931	15.9
95.08590	24.9
97.02874	2.4
97.06511	38.8
103.03963	1.8
103.05447	3.9
104.73143	1.6
105.03403	1.9
105.07008	70.6
107.04921	15.6
107.07366	3.0
107.08562	22.8
109.06497	28.7
109.10168	3.4
111.08041	3.7
115.05434	8.4
116.06182	1.8
117.07004	74.1
119.08563	39.7
120.33814	2.1
121.06490	10.7
121.10104	14.4
122.09638	43.5
123.08051	10.0
123.09961	12.4
124.84320	1.7
125.09630	4.0
128.06204	7.3
128.45964	2.1
129.05493	6.3
129.06981	64.6
131.04900	2.4
131.08545	56.6
133.06461	15.9
133.10120	17.9
135.08044	12.0
135.11685	3.5
137.05917	3.3
139.07559	2.3
139.11169	13.3
141.06978	36.9
142.07730	3.7
143.08540	35.3
145.06468	10.5
145.10103	41.1
146.07271	1.9
147.08043	12.8
147.11676	20.2
149.09651	10.1
153.06989	6.3
153.09140	1.8
154.07782	3.2
155.08533	31.2
157.10094	23.6
159.08064	7.0
159.11711	13.0
161.09602	9.4
161.13248	8.0
165.07002	3.1
166.07713	1.8
167.08592	11.4
168.09328	2.4
169.10074	28.4
171.08086	3.0
171.10156	8.2
171.11681	32.0
173.09587	8.8
173.13240	12.7
175.11176	14.7
175.14833	2.0
176.10634	1.7
178.07813	1.9
179.08571	7.5
181.10107	6.8
183.11650	23.4
185.09673	2.9
185.11739	3.4
185.13176	17.0
187.11267	12.6
187.14853	3.1
189.12717	16.5
193.10139	8.4
195.11676	6.7
197.09622	3.9
197.13248	14.0
199.11058	2.4
201.12685	12.1
203.14285	15.0
207.11702	3.8
209.13380	2.0
211.11240	3.3
211.14882	2.9
213.12827	2.4
215.10724	4.0
215.14294	7.9
221.13184	2.8
225.12849	2.3
229.12402	2.0
237.16267	2.6
239.17863	3.0
243.11061	2.0
243.13577	2.6
253.19543	2.6
263.17914	10.9
271.20407	2.8
281.18936	22.1
299.20010	24.8
307.22617	1.9
315.13397	7.2
316.13501	3.6
317.20993	15.0
321.16809	2.5
373.23672	56.4
391.24734	100.0
436.22134	7.1
437.23001	3.2
464.21765	2.4
487.25800	2.2
560.29211	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	588.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	23.2
55.05507	54.9
57.03430	10.4
59.29309	3.6
67.05489	48.7
69.07050	21.4
69.64445	4.4
79.05478	51.5
81.03399	6.5
81.07030	43.1
83.04966	22.1
83.08591	33.0
85.02896	7.8
91.05458	97.2
92.08711	14.6
92.64568	4.3
93.07021	49.6
94.25207	4.2
95.04943	22.2
95.08610	41.2
97.06506	17.1
97.37414	4.6
105.07026	66.4
107.04929	6.3
107.08589	19.6
109.06515	6.6
111.08085	17.7
116.10728	4.8
117.07014	49.5
119.08547	45.4
121.06463	22.1
121.10135	17.8
123.08054	9.0
125.23956	4.8
128.06210	9.8
129.07002	61.6
131.04924	6.1
131.08522	47.2
131.99869	4.5
133.10103	25.7
135.08081	8.3
141.06955	31.8
143.08545	28.0
145.06438	9.9
145.10110	40.2
147.08012	7.7
147.11673	9.8
149.09622	7.2
155.08513	31.6
157.10104	19.6
159.11681	8.0
161.09566	5.2
161.13338	6.6
163.11165	6.3
165.07048	5.1
167.08521	9.3
169.10149	26.5
171.11705	31.2
173.09616	11.1
175.11087	4.5
179.08557	4.7
183.11705	6.7
185.09592	5.7
187.11168	9.5
189.12715	18.0
195.11583	5.0
197.13223	8.7
199.11238	6.9
201.79247	4.5
215.14331	17.6
246.65228	5.1
263.17667	6.3
272.45291	4.6
280.15723	4.7
281.18973	19.0
284.28674	5.1
299.19992	22.7
311.21747	4.9
328.24734	10.7
366.82385	4.6
373.23560	28.8
391.24707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
54.11820	3.5
55.01859	6.9
55.05505	16.4
56.48377	3.4
57.03427	15.2
59.42273	3.9
60.64154	3.5
61.02908	22.7
67.05501	42.7
69.03435	14.5
69.07047	16.7
73.02904	4.7
74.61077	3.6
79.05470	56.1
81.03395	10.0
81.07043	42.3
83.04961	5.7
83.08688	5.6
85.02882	20.6
85.97652	4.1
91.03975	4.7
91.05457	100.0
92.76568	3.9
93.07018	48.9
95.04910	8.2
95.08589	17.9
97.02850	7.7
97.06515	7.3
98.70186	4.2
104.66122	3.7
105.07024	65.4
107.08574	22.1
109.06481	6.6
109.10155	8.1
113.41489	4.0
115.05463	8.0
117.07005	98.3
117.13109	4.8
119.08558	29.0
121.06456	6.2
121.10110	8.3
128.06200	16.1
129.06990	64.2
131.07623	5.4
131.08554	61.0
133.10155	13.7
135.08076	8.4
135.11694	4.9
141.06955	35.7
142.07764	7.0
143.08545	39.0
145.06473	5.1
145.10139	36.8
147.08070	9.4
147.11742	15.5
149.02350	5.3
149.09549	5.0
155.08585	31.4
157.10056	32.4
159.11670	15.2
161.09535	18.2
167.08508	9.7
169.10115	26.1
171.11731	15.6
173.13190	8.4
175.11165	4.9
181.10074	20.2
183.11684	17.2
184.50610	4.5
185.13196	17.0
187.11156	7.0
193.10022	6.1
197.13173	8.4
199.11157	5.5
199.14856	6.3
201.12747	8.4
209.13495	4.5
229.11954	4.8
238.48488	4.1
265.19357	8.6
283.20526	17.7
293.17587	4.7
344.37677	4.7
375.25201	17.2
412.02274	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	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.3
53.03939	4.2
54.82285	1.6
54.98450	1.4
55.01871	20.2
55.05506	19.2
57.03429	23.5
61.02909	22.0
67.05494	53.5
69.03415	11.7
69.07055	33.8
71.04967	10.9
73.02901	10.0
78.98223	1.7
79.05476	71.7
81.03422	12.4
81.07037	50.3
83.04982	14.0
83.08601	7.8
85.02894	22.4
85.06534	8.9
91.03928	3.3
91.05460	100.0
93.07024	51.1
95.04942	18.2
95.08593	27.6
97.02892	17.5
97.06523	16.4
97.10129	1.8
99.04428	3.1
100.12289	1.9
100.26945	1.8
103.03920	7.2
103.05434	7.7
105.03409	2.8
105.04456	2.7
105.07014	58.8
107.04938	10.9
107.08585	24.2
109.02851	3.0
109.06510	9.2
109.10130	7.0
111.08046	3.2
115.05453	17.1
116.06227	2.4
117.06999	95.9
119.08555	38.4
121.06485	17.0
121.10098	14.2
123.08021	10.5
127.03920	2.9
128.06198	13.9
129.05467	3.6
129.06981	60.0
130.07788	3.9
131.04895	2.3
131.08553	70.2
133.06458	8.6
133.10104	13.4
135.08025	19.0
135.11685	2.4
137.09616	3.9
139.07538	3.0
141.05872	2.7
141.06973	66.4
142.07759	9.9
143.08553	40.4
145.06465	16.6
145.10120	44.6
147.08035	11.2
147.11650	3.4
149.09590	10.6
153.06987	7.1
154.07799	12.4
155.08554	35.6
156.09380	2.9
157.10097	34.1
159.08041	11.4
159.11673	34.1
161.09599	13.4
163.11263	2.0
165.06921	7.3
166.07741	2.9
167.08546	17.8
168.09325	8.4
169.10097	45.1
171.08069	3.3
171.11671	18.2
173.08209	2.8
173.09575	6.4
173.13185	17.1
174.38867	2.0
175.11192	6.8
177.12772	2.0
179.08575	8.0
180.09258	2.1
181.10127	13.5
183.11693	43.6
184.07277	6.9
185.09599	11.7
185.13260	12.3
187.11134	29.2
187.14864	2.0
189.12654	2.8
193.10136	7.6
195.11688	10.8
197.09619	2.9
197.13307	10.0
199.11124	3.6
201.12779	22.5
203.14252	3.1
205.10146	2.0
205.12245	2.7
207.11629	9.2
211.11157	7.8
213.12785	2.1
215.14346	6.5
219.13849	2.1
221.13210	3.3
229.12207	9.9
237.16389	2.8
243.13644	2.2
253.19423	4.2
263.17966	8.5
279.15903	20.1
281.18762	13.6
293.17368	42.5
299.19992	12.8
328.25491	1.8
373.23676	31.3
391.24625	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.8
55.05495	21.7
61.02920	9.5
66.45085	3.7
67.05492	38.5
69.07052	8.0
69.31162	3.9
71.04981	4.7
73.02896	7.9
79.02999	4.8
79.05477	55.8
80.33115	4.4
81.07036	39.9
83.04967	6.5
85.02890	11.4
91.05463	100.0
93.07023	33.9
95.04942	17.8
95.08585	23.6
95.14762	4.3
97.02864	8.2
99.08093	7.1
100.88121	4.5
105.07024	38.5
107.08609	8.0
108.04350	4.0
115.05440	9.5
117.07009	51.4
119.08559	24.3
121.10155	8.1
124.99928	6.2
128.06163	7.7
129.07007	34.6
131.08542	47.4
133.10132	6.7
135.08011	8.0
136.11397	4.2
141.06992	25.6
142.07681	5.3
143.08560	31.8
143.66115	4.4
145.10106	24.2
154.07674	4.5
155.08522	11.3
157.10068	8.7
159.11685	19.6
161.09592	6.3
167.08574	8.9
169.10100	22.7
171.11705	19.1
173.13306	6.2
181.10123	11.3
183.11623	8.2
184.07353	5.0
185.09554	8.1
197.13303	6.0
197.45103	5.1
199.14810	8.0
235.39598	4.6
253.56602	5.0
283.20505	7.2
295.30591	5.0
296.63535	4.9
375.25122	7.4
391.24576	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	588.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
54.82579	1.6
55.01858	15.0
57.03424	7.4
61.02912	8.5
68.99789	5.9
69.03416	46.1
71.04975	7.1
73.02893	10.0
76.80140	1.6
81.03400	48.6
84.16077	1.4
85.02888	100.0
87.00813	32.6
91.03919	2.0
91.05462	2.0
97.02866	41.1
99.04427	20.0
105.01859	25.9
105.03372	1.9
107.04934	7.0
109.02866	47.1
117.01827	3.0
123.04414	10.8
127.03893	81.0
128.59685	1.5
129.01831	7.9
131.04927	2.9
133.02826	6.6
133.06482	7.8
135.04413	2.3
137.02325	3.4
137.05998	3.3
139.03903	3.0
145.04938	23.1
147.04384	18.9
149.05937	3.0
157.06566	1.8
159.02913	25.0
159.04222	3.1
161.02289	9.1
161.05922	17.6
163.03893	7.0
171.04279	4.1
179.03476	5.7
187.03860	4.0
189.05441	27.3
199.03915	6.8
213.03891	9.0
217.04933	34.1
231.04944	33.9
249.05864	5.8
263.05466	36.6
287.05414	8.7
323.07520	51.9
341.08823	2.2
430.05713	2.0
581.40808	2.0
588.15240	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	588.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80733	0.6
53.29497	0.7
55.01861	1.7
57.03427	1.0
61.02909	1.7
63.24672	0.7
65.03933	4.9
69.03414	9.0
73.02900	1.1
81.03407	4.5
85.02886	18.7
85.03359	1.0
87.00817	1.0
89.03909	5.2
91.04886	1.1
91.05466	19.9
92.63830	1.0
93.03386	7.6
93.07021	1.7
94.04156	0.9
95.04969	3.3
97.02859	7.9
99.04445	1.3
103.05466	7.3
105.07014	4.8
107.04942	1.9
109.02866	1.9
109.06515	12.6
110.03676	3.2
111.04427	17.6
115.05444	1.5
117.03354	7.7
117.06998	1.2
119.04922	26.9
121.06503	9.1
122.03616	1.1
123.04478	1.1
124.05196	0.9
125.05965	37.2
125.06831	1.4
127.03905	4.0
130.04153	1.1
131.04903	4.8
133.02840	14.2
133.06483	3.8
134.03615	1.4
135.04396	1.5
137.05956	64.8
138.49290	0.9
143.04918	3.2
143.62527	0.7
145.02805	4.3
145.04973	1.3
145.06476	0.8
146.03566	1.7
147.04391	26.4
149.05966	37.9
150.06743	4.8
151.03914	5.3
151.07507	6.6
153.05450	100.0
153.06754	3.3
160.05232	1.1
161.05952	13.3
162.06773	8.1
163.03842	1.2
163.07570	3.6
165.05438	4.8
165.06981	4.0
167.08641	0.9
173.05989	1.0
175.07509	5.6
177.05450	24.0
177.06981	1.2
179.07025	16.7
179.08463	1.9
181.06444	7.2
189.07100	0.8
191.06999	1.4
191.08565	1.8
193.04915	4.9
193.06540	4.3
194.07362	0.9
195.06494	47.6
195.08034	3.9
201.05472	4.5
203.07031	1.0
205.06516	1.6
207.08096	1.5
209.06030	1.6
210.06754	1.5
213.09132	2.0
215.07117	1.4
219.06477	3.3
219.08206	3.1
221.05962	5.3
222.06802	1.4
223.07571	7.4
224.08261	1.8
225.09030	9.6
227.06966	1.5
235.07500	2.7
237.09148	1.4
239.06833	1.3
239.10626	1.5
240.07761	4.1
241.08566	5.9
247.07443	1.6
249.09229	1.7
251.06993	1.7
253.08556	14.6
254.09221	1.2
255.10098	16.4
265.08585	4.8
267.10303	1.4
268.07278	1.5
273.11102	1.2
279.10086	1.2
281.08109	5.2
281.11310	1.0
283.09653	4.4
284.10391	1.1
285.11060	7.6
293.08078	0.9
295.09595	3.8
296.10400	1.2
297.11115	1.1
299.12646	3.5
301.10556	9.2
307.09659	1.3
311.11856	1.2
313.10669	7.5
323.08856	1.3
325.10632	5.3
341.10150	1.3
343.11694	44.3
355.11624	11.1
373.12732	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	586.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26960	1.1
54.81990	1.3
55.05498	5.7
57.07067	46.2
59.04971	1.3
67.05465	1.7
69.07053	2.2
71.08609	25.4
73.06545	10.9
79.05490	2.4
84.64488	1.3
85.10173	23.5
87.04449	7.6
89.06012	100.0
92.64581	1.5
93.07005	1.9
97.10155	1.6
99.11680	1.7
105.07039	2.2
107.07058	2.9
109.06548	1.2
117.09113	5.8
131.08530	2.2
131.61731	1.5
133.08583	30.6
155.17926	2.1
177.11209	16.1
221.13733	4.8
243.23114	8.4
287.25793	6.5
327.20322	1.7
414.73547	1.4
415.25229	3.0
569.42365	18.5
586.45093	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
64.33760	0.2
67.05511	0.4
68.60828	0.2
79.05480	1.4
81.05727	0.2
81.07042	1.8
85.02883	0.5
87.00809	0.3
89.39696	0.2
91.05458	1.1
92.09381	0.3
93.07001	0.6
94.06532	1.2
95.08598	0.9
96.04538	0.8
105.01849	0.3
105.07016	1.6
106.06529	1.5
107.07324	11.3
107.08568	0.3
108.08076	0.5
109.10107	0.3
110.06031	1.2
110.06738	0.2
115.42894	0.2
119.08587	0.4
120.08082	3.3
120.49786	0.2
121.08854	1.0
121.10104	0.3
122.09644	100.0
123.10002	0.4
124.11230	0.3
127.03864	0.2
130.98265	0.2
131.08540	0.3
132.08040	0.4
134.09618	1.3
135.11656	0.2
136.03928	1.3
136.07559	2.3
136.11212	0.5
138.09129	0.3
146.09601	0.5
148.07561	0.5
148.11194	3.3
150.09131	3.6
160.07486	0.5
162.09064	2.7
162.10181	0.2
164.07042	1.4
166.08556	1.7
174.09087	1.8
176.10693	7.0
178.08644	0.3
179.09375	0.3
180.10146	1.5
182.09598	0.2
188.07100	0.3
192.10176	1.4
197.10657	0.4
198.09109	0.3
199.08658	1.0
199.12312	0.5
201.10393	0.9
204.10107	0.5
206.08064	1.4
211.12308	1.7
213.10228	1.1
215.11818	2.5
218.08110	0.5
220.09659	1.5
224.10683	1.0
225.13857	0.9
227.11736	1.9
229.13200	0.3
239.11752	0.8
241.09720	1.2
241.13319	1.4
243.11229	2.4
251.11790	1.2
252.10231	0.3
253.09663	1.5
255.11183	2.6
256.11893	0.3
257.12769	1.0
259.10770	2.0
261.12320	4.1
267.11316	0.3
268.12103	0.3
269.12778	2.7
270.11246	0.4
271.59409	0.3
273.12347	2.4
285.12363	0.3
287.13855	6.1
287.17090	0.5
295.10574	0.6
297.12250	3.1
298.10474	0.3
313.11777	4.3
315.13333	18.8
316.13873	0.3
376.20108	1.4
390.21835	0.5
391.20190	0.3
418.21280	1.0
420.22781	0.5
424.22174	0.4
436.22211	16.7
438.20224	1.6
446.21121	0.2
457.56165	0.2
464.21722	16.6
559.29022	16.7
587.28369	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	586.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63634	0.1
53.55967	0.1
55.01837	0.2
69.03421	0.6
70.06567	0.3
79.05471	0.3
81.03405	0.9
81.96067	0.2
85.02888	1.7
87.00826	0.9
91.05445	0.3
94.04154	1.3
95.31332	0.2
97.02871	1.0
99.04424	0.2
100.12760	0.2
103.05457	0.9
105.01848	0.3
107.04932	0.2
109.02873	0.6
122.03627	5.2
127.03889	0.7
131.04898	2.7
135.04358	0.2
137.05962	100.0
138.06293	0.4
147.89450	0.2
159.02875	0.2
161.05862	0.2
163.03848	0.2
163.07520	7.1
196.01682	0.2
221.05867	0.2
225.09149	0.3
253.08609	1.0
280.90762	0.2
285.11307	0.3
344.59390	0.2
429.72272	0.2
546.83594	0.2
551.84253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19778	0.2
53.03931	1.7
54.81496	0.3
55.01865	3.3
57.03416	1.9
61.02894	0.7
68.99773	1.4
69.03420	7.1
71.04972	1.6
73.02911	2.6
77.45401	0.3
81.03407	8.6
85.02895	19.5
87.00318	0.5
87.00816	9.6
91.03907	0.4
91.05471	0.5
91.75652	0.3
92.09225	0.4
94.04166	1.4
95.04986	0.4
97.02874	13.5
99.04438	3.6
105.01850	6.0
109.02874	7.1
115.03915	2.1
117.01801	0.7
121.06477	1.3
122.03629	5.2
127.03896	11.6
128.50012	0.3
129.01801	1.6
129.76093	0.3
131.04924	1.4
137.02342	1.2
137.05960	100.0
138.06320	0.5
145.04948	4.5
146.03548	0.3
147.04439	0.6
149.05966	2.1
151.03926	2.0
151.07552	1.5
153.07016	2.3
159.02882	5.1
159.04208	0.4
161.05945	1.2
163.03867	1.2
163.07547	0.6
165.06960	0.5
167.08600	0.4
177.05385	0.4
179.07057	0.5
181.06422	3.8
182.07207	0.4
189.03947	0.4
189.85274	0.3
191.07033	3.1
195.08081	0.3
197.05817	0.6
198.05432	0.7
203.07042	0.6
209.05988	0.7
213.09065	2.5
219.04956	1.3
225.09073	2.3
229.08595	0.7
231.04875	2.1
233.08049	0.6
237.09187	0.5
241.08580	3.0
249.09169	0.5
253.08549	2.7
254.09271	0.5
265.08539	0.6
268.06387	0.3
273.11176	5.8
277.08511	1.4
285.11182	6.5
297.11176	3.1
301.10913	0.4
307.09378	0.3
309.11124	2.1
311.12411	0.4
315.12219	0.4
320.05389	0.4
321.11172	0.6
327.12164	0.5
339.12289	0.6
345.11197	1.4
357.13190	0.4
363.12012	2.8
370.08856	0.4
379.10446	1.1
381.13440	1.3
437.79559	0.3
440.69196	0.3
467.13232	0.4
485.14508	0.7
503.15515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11435	0.1
53.03907	0.1
55.01843	0.1
63.01073	0.1
69.03403	0.5
79.05476	0.4
81.03413	0.4
81.07030	0.2
81.73879	0.1
85.02899	0.8
87.00805	0.6
88.07624	0.1
91.05459	0.5
94.04160	1.3
95.04967	0.1
97.02870	0.2
103.05445	0.5
105.01841	0.2
107.04932	0.4
109.02821	0.2
113.31364	0.1
121.06501	0.2
122.03621	4.5
127.03858	0.2
131.04912	1.0
135.04391	0.2
137.05952	100.0
137.83969	0.1
138.06284	0.5
145.04921	0.1
147.04416	0.5
149.05984	0.3
151.07477	0.2
151.77220	0.1
153.06990	0.4
162.99097	0.1
163.03859	0.4
163.07524	2.2
165.06978	0.1
179.06999	0.4
181.06374	0.9
198.06781	0.2
209.05942	0.1
213.09067	0.6
225.09091	0.2
241.08566	0.7
253.08589	0.8
273.11081	0.8
285.11206	0.8
303.12280	0.5
324.34845	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	585.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
55.05504	45.5
55.19460	2.5
56.95295	2.6
57.07074	5.2
59.35158	2.5
62.20509	2.5
67.05489	46.8
69.07059	21.9
79.05471	42.6
81.03397	6.9
81.07034	57.0
83.04974	15.6
83.08607	33.1
89.06013	12.2
91.05455	47.0
93.07026	48.5
94.12516	2.7
95.04952	43.0
95.08569	36.4
97.06522	5.1
105.07022	68.2
106.07329	4.5
107.04943	19.3
107.08576	35.3
109.06503	17.5
109.10157	12.2
111.08089	6.6
117.07023	18.0
119.08539	43.7
121.06493	15.6
121.10124	23.3
123.08010	6.7
123.11709	3.7
131.08545	29.1
131.66920	3.1
133.10109	33.8
135.08054	13.1
135.11649	7.4
140.22777	2.9
143.08560	13.9
144.09334	3.2
145.10104	42.1
147.08051	3.2
147.11737	21.8
149.09619	20.3
149.13339	3.3
155.08586	5.5
156.09329	3.2
157.10103	11.5
159.11644	17.2
161.09608	3.8
161.13187	5.3
163.11156	28.5
165.12744	3.7
169.10126	5.8
171.11703	5.9
173.09618	6.9
173.13307	6.8
182.10753	3.0
183.11708	5.9
197.13165	5.9
223.13255	4.0
239.17937	5.8
257.18964	13.4
275.19977	100.0
275.22900	4.4
293.21039	68.2
418.17197	3.4
490.27539	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.0
57.07073	14.4
60.03880	6.8
67.05494	33.6
69.07055	13.0
79.05489	34.6
81.07041	39.5
84.46687	7.3
89.06022	51.1
91.05463	49.6
91.63422	8.2
92.09296	10.2
93.07021	65.0
93.14056	7.1
95.04919	32.3
95.08581	32.6
98.12398	7.2
105.07019	76.0
107.08575	52.0
107.89449	7.3
109.10152	18.3
117.07021	34.5
119.08555	100.0
121.10126	49.6
123.08131	7.9
129.07004	10.6
130.07716	11.1
131.08542	61.2
133.08585	9.7
133.10123	32.8
135.08008	8.8
135.11720	11.1
137.09718	8.1
141.06953	7.8
143.08566	41.7
145.06494	14.9
145.10089	85.4
152.77588	6.8
155.08527	16.8
156.09396	12.2
157.10139	52.8
159.11716	14.8
160.08797	28.4
161.13182	8.6
165.09091	11.3
167.08603	9.9
168.09241	10.3
169.10161	18.0
171.11682	9.3
173.13248	15.1
181.10143	12.2
183.11594	27.2
185.13254	12.5
187.14879	11.1
190.13580	9.6
193.10265	9.1
195.11717	18.2
197.13206	17.0
213.12875	8.1
221.13351	10.0
221.15401	16.3
286.19327	9.7
311.29593	9.1
352.23956	37.5
371.22433	12.3
504.36011	65.3
562.89819	8.7
584.42175	8.8
584.55725	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83841	3.5
55.05492	6.2
57.07066	11.0
67.05492	26.3
69.03426	7.9
69.07063	7.3
73.40809	4.5
79.05476	25.4
81.07028	28.5
89.06000	25.7
91.05470	45.5
92.03548	4.4
92.06246	5.8
92.09277	9.2
93.07035	45.5
95.04947	25.8
95.08592	24.7
97.06477	5.2
105.07014	77.7
107.08573	26.6
109.06514	10.4
109.10157	5.8
117.07010	37.4
119.08555	69.2
121.10164	20.1
123.08031	35.9
128.06181	8.8
129.06978	11.0
131.08565	51.6
133.08556	6.7
133.10106	38.2
135.08040	8.7
135.11644	4.8
137.09604	9.5
142.07753	20.3
143.08533	53.5
144.09296	11.2
145.10110	92.2
147.08043	24.4
147.11703	7.0
151.07532	8.0
155.08559	18.7
156.09306	10.0
157.10161	50.5
158.10869	8.5
159.11688	47.6
161.09607	7.4
163.11177	6.7
165.09106	35.7
169.10121	24.8
171.11685	29.6
173.09554	5.0
173.13176	9.3
175.11157	10.6
183.11708	9.2
185.13231	10.9
187.14725	5.8
190.13478	8.3
191.14230	4.9
193.12112	5.4
195.11694	7.9
197.13260	20.4
203.14301	23.3
206.10916	7.5
209.13223	10.1
211.14868	9.4
221.15370	36.2
285.26978	5.0
287.19861	5.4
294.11960	4.9
300.20703	5.9
311.29346	8.7
325.21634	7.9
352.23868	41.3
364.74319	5.4
366.25537	7.1
371.23029	6.0
491.34653	5.2
503.29428	5.2
504.35837	100.0
553.24786	4.9
584.42004	5.9
584.55402	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.3
57.07070	8.9
59.05008	3.1
59.21915	2.7
63.55793	3.2
67.05489	18.9
69.03416	6.7
69.07064	6.9
70.80501	3.3
79.05466	30.2
80.06247	3.4
81.07028	42.2
83.04936	5.0
85.06522	3.6
89.06034	23.0
91.05460	44.1
93.07021	49.1
95.04940	26.1
95.08596	19.4
97.06496	5.7
105.07024	78.2
107.08599	23.0
109.06511	8.2
117.06994	24.4
119.08564	77.9
121.06482	4.8
121.10140	18.1
123.08046	25.7
128.06149	6.1
129.06973	23.4
130.07727	6.9
131.08572	51.1
132.09338	13.2
133.08557	4.4
133.10144	32.0
135.08049	15.7
135.11662	5.9
135.57031	4.1
137.09622	8.0
141.06958	4.1
142.07735	22.0
143.08548	47.7
144.09312	14.9
145.10118	82.9
147.08066	22.2
147.11633	7.8
149.09608	5.2
151.07538	5.6
155.08580	15.5
156.09306	14.4
157.10080	39.5
158.10928	4.0
159.11671	37.7
161.09625	7.0
165.09093	31.2
167.08574	4.3
168.09232	4.8
169.10106	24.9
170.10849	6.4
171.11690	21.4
173.09613	6.4
173.13211	6.5
175.11197	16.6
179.08507	6.4
181.10156	5.3
181.12238	4.6
183.11673	16.8
185.13246	6.8
189.12785	6.1
193.10036	4.2
193.12164	4.2
195.11731	15.3
197.13213	6.4
199.14761	4.4
201.12610	4.0
203.14322	19.6
207.13799	3.8
209.13193	5.5
219.13611	3.9
221.15326	28.8
233.80479	3.8
235.14793	5.7
237.16338	3.7
239.14188	4.2
259.16974	5.5
270.59836	4.4
274.19333	4.8
287.20041	4.4
300.20657	4.7
300.29257	4.9
311.29413	6.7
319.20593	5.6
337.21603	4.6
352.23822	47.3
365.24786	7.8
366.25433	14.1
371.22925	6.9
405.67209	4.0
443.18695	4.0
491.35284	8.6
504.35867	100.0
584.56152	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	584.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.05498	25.8
57.07059	12.3
58.34127	6.4
67.05481	35.4
67.13837	4.4
69.07045	11.2
73.06514	4.8
77.96391	4.7
79.05476	34.4
81.07047	66.9
81.88260	5.3
83.08611	7.1
85.24172	4.9
87.91197	6.3
89.06000	30.4
91.05450	47.5
93.07030	69.9
95.04950	11.8
95.08580	36.7
105.07025	100.0
107.08588	58.0
109.10136	21.1
117.07017	22.7
119.08558	94.7
121.10130	45.5
122.89036	5.1
123.08047	7.2
128.06235	9.6
129.06941	8.4
131.08557	27.6
131.24271	5.6
133.08577	8.2
133.10097	52.4
135.08066	6.6
135.11649	9.0
137.09557	7.8
142.07774	28.3
143.08525	33.8
144.09280	6.4
145.10118	72.4
145.37695	5.8
146.22809	5.4
147.08037	9.1
147.11667	12.4
155.08565	12.8
156.09306	13.6
157.10115	40.5
159.11688	24.9
161.13231	8.2
165.09065	9.9
167.08603	6.8
169.10115	24.2
171.11659	11.2
173.13219	9.7
181.10088	24.2
182.10847	6.6
183.11700	21.8
185.13229	11.9
195.11543	7.0
197.13283	13.6
207.11667	9.6
209.13161	11.5
221.13268	8.5
223.14609	9.1
225.16310	6.4
283.20703	6.3
367.35751	33.9
403.29837	8.9
423.59860	5.9
460.05981	5.9
541.40210	13.2
583.41321	8.2
584.41675	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25833	4.0
55.05490	9.0
57.07060	20.0
59.04990	5.5
64.80067	4.6
67.05484	25.9
67.30663	4.1
69.07056	11.7
71.08628	6.2
79.05492	34.5
81.07056	37.3
89.06043	6.9
91.05470	69.1
93.07018	59.9
95.04961	43.6
95.08575	37.4
105.07008	100.0
107.08567	43.8
109.10146	23.9
117.07001	26.3
119.08549	93.9
121.10148	27.4
123.08026	9.8
128.06195	7.8
129.06987	30.1
130.07779	9.4
131.08559	61.4
133.10100	48.3
135.08069	7.0
135.11667	9.3
141.07018	6.5
142.07776	25.2
143.08525	42.8
144.09346	9.4
145.10095	51.4
147.11641	22.0
154.07745	7.4
155.08546	26.9
156.09328	25.6
157.10144	47.3
158.10887	6.8
159.11684	30.5
161.09584	7.1
161.13290	6.3
165.06952	5.7
166.07681	6.8
167.08505	8.5
169.10106	23.3
170.10831	6.3
171.11644	32.0
173.13240	25.0
175.14842	4.9
179.08560	18.1
180.09306	8.3
181.10080	10.6
182.10909	5.2
183.11673	29.1
185.13290	9.0
187.14709	6.9
193.10123	20.1
194.10655	7.1
195.11661	12.2
197.13292	22.7
201.16331	5.2
207.11713	17.9
209.13297	10.9
211.14746	6.2
213.16493	5.0
221.13324	9.2
221.15291	8.8
223.14882	8.4
235.14720	6.0
338.25952	9.5
352.11871	5.0
409.33661	5.6
442.39206	5.1
473.25342	5.5
476.35965	7.2
584.41522	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	584.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97003	0.3
53.03926	2.1
55.01852	2.3
55.05505	9.4
57.03421	1.8
61.02909	0.9
65.03902	0.5
67.05145	0.5
67.05494	13.0
69.03414	7.0
69.06762	0.4
69.07056	6.2
71.04960	2.3
73.02887	1.6
79.05475	8.8
81.03407	8.0
81.07040	30.2
83.08620	6.4
85.02415	0.7
85.02892	15.0
85.06496	0.4
87.00819	7.7
91.03910	0.5
91.05460	8.1
93.06419	0.6
93.07021	17.8
95.04942	0.7
95.08589	24.8
97.02878	6.3
97.06507	1.6
97.10144	10.7
99.04424	2.9
105.01860	4.4
105.07018	21.1
107.07868	0.7
107.08585	16.8
108.04459	1.0
109.02848	5.8
109.10146	22.3
111.04446	0.6
117.01846	0.8
117.07009	5.6
119.08563	15.5
121.10121	13.9
123.11684	16.2
126.05457	0.4
127.03894	9.2
129.01865	0.7
129.06979	1.8
130.07793	0.5
131.08548	13.8
133.10112	16.8
135.04367	0.6
135.11668	17.8
137.13242	1.6
142.07655	0.5
143.08569	3.1
144.09308	1.8
145.04932	3.7
145.10112	20.1
147.11671	26.8
149.13242	16.6
151.11143	0.8
157.10126	3.8
159.02870	3.2
159.11673	31.5
161.11887	0.9
161.13235	27.1
163.03905	2.2
163.14822	3.2
165.12729	5.3
171.11601	2.3
173.13229	20.6
175.13362	0.8
175.14795	16.8
177.16367	0.6
185.13304	3.8
187.14792	24.3
189.16345	2.3
199.14781	9.0
200.15627	0.5
201.16354	15.7
203.18005	0.6
213.16367	5.5
214.17094	0.4
215.17863	2.0
227.17915	5.1
231.05029	2.1
239.17912	0.5
241.19452	0.6
254.20285	0.6
255.21074	1.0
257.22583	13.2
259.09650	0.9
283.24155	100.0
284.24399	0.5
301.25217	25.3
308.19250	0.4
355.15063	0.6
584.27228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
54.63046	0.5
55.01860	2.6
55.05260	0.9
55.05507	13.1
57.03431	0.9
57.23373	0.7
61.02914	1.2
67.05487	12.1
69.03412	6.0
69.07056	5.7
71.04974	1.3
73.02902	1.3
78.09592	0.6
79.05473	8.2
81.03410	6.6
81.07040	31.7
83.08617	5.3
85.02893	14.6
87.00811	6.9
91.03934	0.6
91.05453	9.2
93.07025	19.9
95.08588	24.5
97.02869	6.1
97.10152	22.3
98.15511	0.5
99.04455	3.3
100.20354	0.6
105.01846	5.7
105.07019	22.4
107.08583	14.4
108.04462	1.0
109.02869	5.6
109.10141	19.6
117.07019	5.1
119.08566	16.0
121.10138	14.0
123.11704	7.7
127.03886	9.7
129.07019	1.1
131.08548	15.2
133.10114	16.6
135.11670	15.9
137.13240	2.2
143.08551	2.7
144.09370	0.9
145.04919	3.2
145.10106	21.5
147.11676	30.1
149.13232	14.8
157.10094	3.1
159.02879	2.5
159.11674	30.5
161.13239	28.6
162.55209	0.6
163.14772	3.7
165.12695	5.9
171.11676	3.0
173.13223	19.1
175.14792	14.1
185.13258	4.0
187.14793	43.1
189.16458	2.1
199.14838	5.8
201.16331	12.6
203.17885	0.8
213.16306	4.6
227.17944	6.8
231.04839	0.9
241.19547	1.4
257.22598	14.8
276.42078	0.6
279.91190	0.7
283.24158	100.0
284.24478	0.7
301.25226	27.5
307.08496	0.7
400.04095	0.7
464.14670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16164	0.5
52.81221	0.4
53.03929	2.1
53.04167	0.5
54.88753	0.5
55.01865	0.9
55.05510	9.5
56.05032	34.5
57.03422	1.1
58.99583	12.1
61.01140	1.0
61.02903	2.2
61.04039	0.7
65.03079	0.4
65.03921	3.1
67.05497	9.8
69.03423	6.4
71.04971	0.7
72.08139	16.9
73.06543	0.6
73.49995	0.4
81.03399	3.1
81.07078	0.5
82.06544	0.8
83.04953	3.6
84.04482	2.3
84.08133	29.2
85.01115	0.6
85.02894	14.8
86.09698	4.8
87.01939	0.9
88.24905	0.5
92.08673	0.5
95.08612	0.8
97.01044	0.6
97.02881	6.0
98.06040	1.9
99.02660	19.6
99.04430	1.0
101.04229	13.5
101.30775	0.5
106.06541	2.6
109.02858	1.9
111.04435	2.4
112.11227	0.6
115.08682	18.5
124.21659	0.5
127.03895	2.3
127.08660	100.0
129.03685	12.6
132.04449	0.8
137.06036	0.6
141.06581	6.1
145.04994	0.6
147.04741	0.8
157.13347	69.0
158.47871	0.5
169.13336	41.7
208.69823	0.6
246.12328	25.8
259.09546	0.8
276.17059	27.9
288.17029	63.0
357.08917	0.5
422.20883	0.9
584.26025	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.7
57.07060	7.6
57.19390	5.8
60.33414	5.2
60.76440	5.8
67.05488	41.0
69.07050	14.2
74.79507	6.2
76.57029	7.7
78.87402	6.0
79.05479	16.3
81.07035	30.2
90.56866	6.4
91.05488	60.3
93.07033	67.1
95.04963	8.9
95.08592	38.1
100.48146	6.9
105.07018	100.0
107.08571	46.9
109.06540	12.0
109.10131	16.8
112.63752	6.4
117.06997	11.9
119.08572	84.0
120.43394	6.5
121.10130	29.7
124.74723	6.3
128.06218	11.4
129.06961	14.7
131.08565	49.7
133.10129	37.4
135.07906	7.4
135.11653	9.6
142.07770	16.8
143.08536	42.5
144.09326	10.3
145.10158	50.4
147.11609	8.0
155.08560	16.5
157.10133	42.8
159.08034	7.4
159.11684	25.7
165.09071	9.2
167.08545	10.3
168.09305	11.1
169.10095	42.8
171.11642	31.5
173.13228	10.9
179.08492	33.9
181.10081	15.2
182.10738	8.4
183.11649	13.8
193.10094	13.4
194.10883	14.5
195.11595	15.0
197.13284	10.4
199.14763	8.7
206.10869	10.9
207.11754	10.3
209.13188	26.7
211.14810	10.0
218.10913	7.9
220.12361	7.8
234.14108	6.4
249.16252	7.3
275.18042	7.8
520.34637	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02048	1.3
51.98599	1.2
53.03934	3.4
55.01870	1.8
55.05305	1.3
55.05505	22.5
57.07068	12.8
59.04982	2.5
60.38966	1.3
61.68996	1.3
67.05490	27.0
69.03413	10.4
69.07057	20.5
79.05473	34.6
81.07038	33.6
83.04966	6.1
83.08605	6.8
85.06535	6.7
91.05460	64.2
93.07023	62.9
95.04931	18.7
95.08592	34.7
97.06525	6.2
102.57066	1.5
103.05460	6.2
105.04506	1.9
105.07014	89.0
107.08575	53.3
109.06496	11.8
109.10133	17.4
111.08069	2.6
115.05447	8.5
116.06198	1.9
117.07009	25.2
119.08556	100.0
121.06479	2.0
121.10115	40.6
123.08047	15.2
123.11695	2.6
125.05969	2.5
128.06216	16.5
129.06961	26.9
130.07787	11.4
131.08531	42.4
133.06508	2.5
133.10106	44.8
134.39130	1.5
135.08011	11.9
135.11685	10.0
137.09613	9.0
141.06961	13.4
142.07761	44.0
143.08534	58.6
144.09300	11.8
145.06505	2.7
145.10104	58.8
145.11220	2.6
147.08014	15.6
147.11650	18.4
149.09601	5.7
149.13249	1.9
151.07555	10.4
153.06961	9.9
154.07739	6.4
155.08531	27.4
156.09308	24.9
157.10107	67.6
158.10858	11.8
159.08032	5.9
159.11658	24.3
161.09595	3.7
161.13226	5.8
163.11108	2.4
165.06960	15.6
165.09088	18.6
166.07712	5.5
167.08508	20.2
167.10664	5.7
168.09276	10.4
169.10080	40.0
170.10857	9.5
171.11638	36.6
172.12534	2.8
173.09566	3.4
173.13210	23.7
175.11157	1.6
175.14810	7.1
178.07741	2.4
179.08531	30.4
180.09312	14.2
181.10114	23.4
181.12123	2.9
182.10910	9.7
183.11655	39.3
184.12450	6.7
185.13254	19.1
187.11230	1.7
187.14777	3.6
189.12724	5.8
191.08562	3.5
191.14261	7.9
192.09267	11.1
193.10103	25.8
194.10904	17.3
195.11670	24.4
196.12471	9.5
197.13226	21.0
199.14838	9.3
201.12668	2.9
203.08473	1.7
203.14285	9.2
204.09251	2.1
205.10123	8.7
206.10841	14.7
207.11655	28.5
207.13567	2.7
208.12495	10.2
209.13226	25.6
210.13974	3.5
211.14822	12.0
213.16370	2.5
215.14320	1.8
217.10103	7.2
217.15947	3.3
218.10858	2.7
219.11639	14.6
220.12508	11.8
221.13219	19.5
221.15358	26.7
222.14029	2.6
223.14787	15.9
225.16345	3.3
229.10153	2.0
230.10878	2.8
231.11760	11.0
231.17357	1.7
232.12508	6.6
233.13245	13.6
234.13982	7.0
235.14815	13.2
236.15652	3.0
237.16383	9.3
239.14328	2.0
239.17880	2.6
243.11552	2.6
244.12279	5.4
245.13153	12.2
246.13957	7.9
247.14722	10.9
249.16278	9.7
251.17970	2.3
257.13171	2.7
257.18961	7.2
258.13998	6.2
259.14703	6.3
260.15527	7.2
261.16351	11.2
263.17950	8.2
265.19449	3.2
269.13101	2.8
271.14883	2.9
273.16354	6.4
274.17157	1.9
275.17923	10.1
277.19589	2.0
283.20499	10.8
285.16351	1.9
287.17688	2.2
297.22131	2.2
310.17227	1.7
331.24121	2.9
349.25128	5.8
491.34430	2.3
559.53119	1.7
565.40344	12.2
583.41467	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
53.75569	1.3
55.05503	19.6
57.07066	10.1
59.04991	2.3
59.58209	1.3
65.03956	1.6
66.06966	1.5
66.47457	1.6
67.05496	25.0
69.03419	9.0
69.07049	25.4
71.04978	2.0
78.23282	1.5
79.05476	34.7
81.07037	37.5
83.04957	9.4
83.08605	8.0
85.06551	7.7
87.37144	1.4
91.05458	63.0
93.07023	70.2
95.04932	16.4
95.08588	36.9
97.06512	8.2
103.05448	3.6
105.07016	99.2
107.08581	50.4
109.06480	15.2
109.10151	21.1
111.08110	3.0
115.05415	4.1
116.06190	1.7
117.07006	24.1
119.08558	100.0
121.06491	3.5
121.10130	63.6
123.08021	17.6
123.11681	3.3
125.09589	3.2
128.06197	15.6
129.07002	31.3
130.07745	9.6
131.08554	44.9
131.09445	2.6
133.06511	3.6
133.10115	39.7
135.08055	6.7
135.11664	12.2
135.33832	2.1
136.11995	1.7
137.09613	9.2
139.11154	2.5
141.06978	14.3
142.07785	39.5
143.08546	49.9
144.09340	12.7
145.06447	2.2
145.10109	57.9
147.08076	12.8
147.11673	23.1
149.09605	8.7
149.13307	2.0
151.07542	14.6
153.07008	3.6
154.07701	6.1
155.08528	26.2
155.10646	2.1
156.09319	27.5
157.10103	74.6
158.10902	15.4
159.08040	8.4
159.11671	28.6
161.09572	7.0
161.13226	6.1
163.11177	8.6
165.06990	10.5
165.09071	13.7
166.07822	3.4
167.08530	12.8
167.10652	12.7
168.09264	14.7
169.10097	37.7
170.10899	11.6
171.11662	38.4
173.09531	2.6
173.13217	25.9
175.11162	3.5
175.14792	3.8
178.07790	2.8
179.08530	25.3
180.09346	10.0
181.10092	29.5
181.12151	2.5
182.10873	12.8
183.11696	29.1
184.12494	4.2
185.13200	17.8
187.14851	7.4
189.12738	7.4
191.08438	2.1
191.14287	3.8
192.09354	8.3
193.10132	22.9
194.10887	18.7
195.11674	32.4
196.12416	7.5
197.13248	23.3
199.14726	16.3
201.12949	2.0
203.14313	3.0
205.10118	9.4
206.10883	12.6
207.11688	25.2
207.13712	7.0
208.12465	9.4
209.13203	33.4
210.13988	4.1
211.14771	16.4
213.12727	2.7
213.16299	2.6
215.14313	3.0
217.15897	7.5
218.10899	6.1
219.11650	9.3
220.12500	11.2
221.13231	21.5
221.15399	17.8
222.14021	3.3
223.10957	1.7
223.14751	11.7
223.32155	1.6
225.16418	7.6
230.10872	2.2
231.11678	7.4
232.12495	2.6
233.13185	13.6
233.15402	6.7
234.14124	7.1
235.14778	16.4
236.15671	2.6
237.16371	10.1
239.17938	2.6
243.11627	2.8
244.12436	2.5
245.13271	10.1
246.13950	6.9
247.14810	11.2
248.15421	6.4
249.16362	11.0
251.17937	6.8
253.19469	2.7
257.13379	6.4
257.19052	3.5
258.14102	2.9
259.14807	10.3
260.15521	2.2
261.16425	11.0
263.18002	8.2
265.19489	4.2
269.18900	3.3
270.13953	2.0
271.14764	2.3
272.15485	1.7
273.16202	3.5
275.17798	11.7
277.19437	2.8
281.18860	2.0
283.20581	12.5
285.16220	2.1
287.17831	2.8
289.19315	3.3
295.20499	2.6
307.20538	2.3
331.24155	3.0
335.23410	2.7
349.25299	9.1
375.27008	2.1
403.29333	2.2
547.39221	3.3
565.40179	20.1
583.32715	3.1
583.41400	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62479	1.4
53.03947	3.1
55.05513	17.7
57.07072	10.1
58.34809	1.3
59.04982	3.0
65.03944	3.1
67.05495	25.4
69.03427	10.5
69.07053	14.7
77.03904	1.7
79.05478	36.2
81.07043	32.4
83.04977	8.4
83.08608	3.9
85.06541	10.0
91.05463	65.7
91.06001	3.3
92.08633	4.6
92.23170	2.1
93.07026	59.7
95.04952	16.7
95.08588	30.2
97.06535	3.6
103.05453	3.7
105.07015	100.0
107.08582	50.0
109.06502	10.0
109.10130	22.2
111.08136	2.0
115.05470	6.6
115.26476	1.7
117.06999	19.5
119.07710	3.1
119.08562	97.8
121.06528	4.0
121.10123	44.4
123.08042	22.5
125.05951	2.5
126.79086	1.6
128.06195	24.6
129.07001	24.7
130.07755	9.0
131.08546	46.8
133.06487	2.2
133.10117	37.4
135.08015	12.2
135.11684	9.6
137.09599	12.5
141.06956	14.5
142.07784	35.0
143.08545	56.3
144.09352	8.1
145.10092	59.6
147.08037	16.0
147.11694	11.6
149.09659	3.8
149.13358	2.3
151.07516	13.6
153.06996	8.6
154.07751	3.7
155.08540	27.5
156.09340	30.5
157.10101	68.6
158.10909	9.3
159.07979	4.1
159.11661	24.9
161.09642	3.1
161.13318	2.8
163.11191	3.6
165.06960	9.0
165.09097	30.3
166.07712	9.0
167.08513	13.1
167.10655	2.8
168.09329	13.0
169.10074	42.6
170.10854	14.8
171.11647	31.7
172.12468	2.1
173.13249	22.3
175.11119	2.0
175.14836	7.2
178.07826	2.3
179.08556	26.2
180.09338	11.2
181.10124	22.6
181.12180	3.1
182.10886	13.0
183.11678	31.5
184.12433	8.0
185.13245	17.2
187.14793	6.7
189.12677	3.1
191.14273	7.4
192.09354	10.0
193.10117	20.8
194.10902	16.9
195.11636	30.3
196.12450	9.7
197.13219	24.7
198.14061	2.0
199.14836	12.5
203.14264	13.3
204.09351	2.2
205.10123	9.1
206.10843	14.0
207.11710	26.2
207.13620	3.9
208.12463	10.5
209.13211	34.0
209.15076	2.1
211.14833	11.7
217.10196	2.5
217.15900	8.4
218.10864	4.1
219.11731	11.0
220.12462	9.0
221.13239	17.3
221.15381	33.0
222.13953	3.2
223.14868	13.7
225.12730	2.0
225.16386	7.0
227.14172	2.1
230.10757	2.2
231.11710	7.0
232.12456	8.3
233.13226	14.9
233.15346	3.1
234.13991	3.8
235.14735	15.3
237.16356	9.4
243.11694	2.9
244.12463	3.0
245.13248	10.0
246.13971	5.9
247.14719	11.8
248.15562	3.2
249.16313	8.7
250.16942	2.5
251.14009	1.7
251.17963	3.3
257.18979	9.5
258.13971	3.6
259.14731	8.9
260.15616	3.1
261.16287	3.4
263.17944	3.5
265.19522	4.2
269.18887	2.2
271.14774	2.7
273.16241	3.4
275.17969	12.8
277.19513	3.8
283.20557	11.1
289.19705	2.9
301.19418	3.4
307.20743	2.0
331.24173	7.8
347.23752	2.7
349.25153	2.4
374.25031	2.1
375.26929	2.4
503.34680	2.9
565.39954	11.1
583.32709	3.0
583.41278	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.7
55.05508	43.7
57.03435	3.4
57.07072	13.6
59.04998	3.4
61.81611	1.6
67.05498	25.6
69.03412	4.3
69.07064	14.0
71.08625	4.1
74.41441	1.6
79.05481	38.2
81.03410	2.0
81.07040	46.5
81.14474	1.7
83.04951	12.9
83.08614	20.0
85.02844	3.3
85.10151	2.9
85.21632	1.7
87.66246	1.5
91.05453	22.7
93.07030	25.5
95.04950	20.3
95.08601	13.5
97.10152	24.5
100.17682	1.9
105.07002	14.2
107.04939	3.9
107.08598	18.5
109.06467	3.5
109.10179	7.5
111.04428	12.1
111.08080	6.9
117.07026	13.4
119.08559	20.8
121.06500	3.7
121.10101	9.5
123.08066	12.8
125.09605	16.0
129.06984	3.8
131.08548	10.9
135.08073	3.4
135.11636	1.9
137.09584	3.5
141.30908	2.3
143.08575	3.8
145.10112	12.9
147.07996	18.8
149.09557	9.1
152.70764	1.9
153.09099	8.0
153.12856	3.4
155.08539	3.0
157.10129	2.0
159.11621	2.3
161.09578	4.2
163.11154	9.5
165.09052	4.1
175.11217	2.0
181.12209	4.1
189.11195	9.2
191.10730	3.4
217.03835	1.9
249.14912	3.8
273.18484	15.9
291.19498	100.0
309.20483	2.5
309.27844	2.9
480.03955	2.1
554.70166	2.2
582.54199	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	582.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36778	34.3
60.29515	37.9
79.05439	56.1
81.07018	40.0
82.01057	36.6
87.74089	41.8
91.05445	39.1
95.04908	55.8
95.06947	43.5
96.04745	44.4
105.07007	100.0
105.68251	48.0
117.06961	45.7
117.29342	48.1
119.08549	42.3
124.48677	41.8
140.95233	44.1
143.08563	75.6
145.10173	90.1
167.10686	43.8
183.11714	50.7
220.24934	49.4
271.39789	40.9
290.45776	39.8
468.40430	54.0
582.40271	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60366	3.2
55.05506	7.4
57.07054	6.9
67.05492	20.6
69.03426	4.9
69.07055	20.7
69.70120	3.6
73.62135	3.3
74.09724	4.9
79.05479	23.3
79.71189	3.5
81.07050	30.0
83.08595	3.8
86.55842	4.0
91.05471	44.0
92.09356	10.5
93.07023	40.3
95.04954	75.3
95.08588	18.5
99.39537	3.5
105.07016	73.8
107.08580	41.2
109.06460	13.9
109.10144	8.3
117.06999	32.3
119.08569	67.6
121.06512	8.4
121.10112	36.1
123.08065	7.9
128.06187	16.6
129.06995	28.1
130.07777	7.1
131.08553	50.4
133.10114	41.5
135.08064	20.1
137.09662	5.1
141.06970	8.9
142.07799	22.9
143.08531	70.4
144.09285	7.1
145.10088	67.8
147.08066	7.1
147.11700	20.6
149.09659	5.2
153.07018	5.1
155.08560	27.7
156.09338	26.5
157.10083	70.2
158.10925	17.6
159.08012	16.1
159.11639	27.5
161.09584	18.9
167.08559	18.3
168.09351	6.7
169.10097	36.0
170.10849	5.7
171.11638	34.3
173.09651	8.1
173.13274	7.6
175.11005	4.5
179.08611	7.7
180.09303	14.5
181.10089	20.7
182.10861	7.5
183.11632	40.8
185.09612	7.8
185.13223	7.6
187.11209	7.7
189.12761	4.9
192.09259	7.3
193.10085	23.0
194.10883	8.4
195.11693	37.7
195.92474	4.6
196.08809	5.6
197.09599	6.6
197.13315	20.4
199.11188	21.0
199.14841	7.2
201.12691	5.4
205.10074	6.3
206.10915	6.9
207.11690	28.8
208.12344	8.8
209.13217	23.6
210.14096	6.5
211.11168	16.0
211.14833	7.0
212.15570	5.3
213.12730	7.5
219.11627	5.8
221.13261	20.5
222.14189	4.1
223.14912	17.9
225.12729	9.1
227.14296	17.1
233.13261	6.2
235.14745	4.9
247.14717	5.7
251.14255	4.8
252.06729	3.8
253.15866	7.5
259.14658	6.1
271.16983	4.2
273.18439	61.0
289.15948	7.1
299.19983	20.3
309.28003	5.0
319.20572	5.3
337.21597	19.0
346.59375	4.9
351.23349	5.0
352.23895	86.0
365.24725	5.4
444.30182	43.4
490.34329	16.4
517.98120	3.6
535.67603	3.8
582.40576	100.0
582.54822	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.6
55.32251	5.2
57.07066	5.8
67.05473	41.6
69.03409	7.1
69.07045	23.7
79.05448	24.8
81.07024	43.7
83.31580	5.7
91.05461	44.5
93.07042	52.3
95.04941	13.0
95.08588	43.7
97.06519	8.6
105.07020	76.5
107.08566	39.1
109.06501	7.0
109.10175	11.2
115.05468	5.5
117.06982	14.4
119.08549	75.9
121.10150	56.4
123.08041	13.2
128.06250	6.9
129.06972	8.9
130.42586	7.2
131.08565	53.7
133.10109	55.2
135.07965	10.4
135.11670	7.8
137.09619	8.3
141.06975	7.7
142.07747	13.8
143.08534	25.2
145.10104	33.4
147.08063	30.5
147.11665	12.5
149.09616	15.6
155.08430	8.0
156.09315	13.5
157.10089	37.7
159.11610	30.2
165.09073	26.3
167.10648	29.6
169.10117	14.7
169.55254	6.6
170.11023	7.3
171.11626	26.1
173.13266	12.1
179.08467	6.7
182.10913	8.0
183.11662	14.9
185.13254	9.8
189.12755	13.6
195.11688	24.0
196.12651	6.4
197.13181	10.2
202.77234	6.5
206.10806	7.5
207.11755	10.0
209.13130	11.8
211.14732	8.5
221.13274	12.9
221.15314	39.6
231.11621	7.7
251.18091	6.4
273.16391	7.6
429.45331	6.4
543.68701	6.6
563.38525	26.8
581.40234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.8
56.26146	7.1
57.07059	17.3
67.05495	17.5
67.94955	7.2
69.03394	8.9
69.07067	13.4
79.05472	35.6
81.07029	46.3
83.08591	9.1
84.92843	7.7
88.66018	7.7
89.03279	7.9
91.05458	60.3
92.63802	10.7
93.07025	60.6
95.04919	13.9
95.08572	42.9
105.07033	100.0
107.08569	47.8
109.06532	12.1
109.10149	15.6
119.08556	71.3
121.10130	63.1
123.08051	16.5
123.11706	10.2
129.06982	13.9
130.07764	11.4
131.08492	32.1
133.10109	60.6
134.75262	8.0
135.08005	15.4
135.11549	9.7
142.07758	14.0
143.08505	32.4
145.10133	43.4
147.08051	37.8
147.11679	10.6
149.09583	12.6
156.09296	10.6
157.10068	19.5
159.08069	14.2
159.11630	19.7
165.09055	21.2
167.10721	8.5
169.09981	13.1
171.11662	18.8
173.13269	16.0
181.09999	9.0
185.09563	8.6
185.13167	13.5
195.11674	19.1
197.13196	10.3
203.14326	11.2
206.10974	9.3
207.11765	12.4
221.13231	9.8
221.15349	42.4
222.14029	9.3
284.61334	8.7
385.90115	9.8
400.59583	10.7
563.39001	12.4
581.40771	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25231	0.3
55.05496	1.1
58.90878	0.4
63.12637	0.4
73.06551	0.7
91.71963	0.5
93.87567	0.5
97.02876	0.5
113.05754	2.2
143.01945	0.6
149.02316	6.5
161.02899	0.6
168.92296	0.5
175.07486	1.1
226.91924	0.5
245.06381	0.9
251.95692	0.5
261.07312	12.0
275.10974	2.1
299.10968	0.8
315.12003	15.5
317.12085	3.1
332.34860	0.5
333.13022	22.5
361.12607	1.1
465.13223	0.7
477.16965	1.0
495.18307	15.8
537.19385	27.7
581.18353	100.0
582.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88650	1.2
53.03939	2.7
54.81587	1.5
55.01676	1.3
55.01878	16.5
55.05508	47.0
56.12518	1.3
57.03434	11.7
57.07054	1.8
59.04996	1.3
60.04519	3.4
61.02909	7.7
64.83078	1.5
65.03941	1.7
67.05493	50.8
69.03417	9.9
69.07053	31.5
71.04978	5.6
73.02906	2.3
78.87673	1.4
79.05479	57.3
80.04970	2.3
81.03416	22.1
81.07046	86.3
83.04977	19.1
83.08614	33.0
85.02890	13.3
85.06534	2.3
91.03930	2.0
91.05463	34.9
92.09357	3.6
93.06495	2.0
93.07032	47.1
95.04947	30.4
95.08588	33.6
97.02863	6.0
97.06521	16.9
97.10149	47.0
99.04408	2.1
99.08083	3.2
105.07021	30.9
107.04948	13.1
107.08578	38.6
109.02837	3.1
109.06499	13.8
109.10153	18.0
110.52106	1.5
111.04428	21.7
111.08061	12.4
115.05434	1.9
115.07533	2.2
117.07010	18.1
119.04829	1.5
119.08573	35.7
121.06486	12.5
121.10135	24.1
123.08051	39.2
124.07559	11.2
125.05971	2.1
125.09615	36.0
127.03929	2.5
128.90179	1.4
129.06995	9.6
131.08553	20.2
131.31657	1.6
133.06480	6.6
133.10080	10.9
135.07991	10.8
135.11664	17.6
137.09612	13.2
141.06982	2.0
142.07764	2.0
143.08551	9.2
143.10672	2.0
145.06512	1.9
145.10121	24.1
147.08044	16.9
147.11691	12.8
149.09602	12.3
149.13266	2.1
151.11159	2.2
151.34381	1.6
153.09097	6.8
153.12723	7.9
157.10123	9.1
159.11676	9.2
161.09615	12.4
163.03894	2.0
163.11160	29.2
165.09079	7.5
171.11652	3.2
173.09630	5.6
175.11072	10.2
177.12697	2.3
181.12236	8.5
185.13260	2.0
187.11145	1.7
189.11147	18.5
189.12593	2.0
191.10643	5.8
193.12239	5.7
223.13248	2.9
227.12718	12.5
227.17880	2.5
235.09778	1.5
245.13689	3.7
245.18945	2.0
248.87532	1.5
255.17360	6.7
273.18509	42.1
291.19492	82.6
301.16415	1.7
309.20435	10.9
347.22125	6.3
365.18610	3.4
365.23203	100.0
383.10437	2.0
383.24222	69.4
485.74490	1.6
537.39984	1.8
580.32892	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05375	2.2
50.75166	2.5
53.03916	3.2
55.05510	23.7
56.34052	2.4
57.03421	11.8
61.02918	3.4
65.60607	2.6
66.53912	2.6
67.05151	2.8
67.05495	71.5
69.03402	5.7
69.07059	20.5
71.04972	3.2
72.05442	2.9
73.71467	3.0
79.05479	28.0
80.04982	3.6
81.03401	4.5
81.06601	4.3
81.07040	88.7
83.08607	13.8
85.02889	15.3
85.06554	3.1
87.00801	12.8
91.05460	15.8
93.07028	17.4
95.08588	100.0
97.02894	6.9
97.06519	4.2
97.10132	6.3
99.08047	3.4
105.01847	3.4
105.07024	11.5
107.08561	12.0
109.02872	10.2
109.06535	3.2
109.10149	52.4
113.09547	3.0
119.08560	14.2
121.10126	5.9
123.11676	17.1
124.07582	48.1
125.07890	15.1
127.03874	12.1
133.10114	12.4
135.11656	14.6
137.13203	3.5
143.01340	2.7
145.10115	3.1
147.11641	6.4
149.09592	3.7
149.13205	2.8
159.02815	3.5
173.13208	3.8
179.14233	3.2
184.37436	2.9
187.14842	3.2
243.20879	3.9
261.22043	11.0
279.23184	44.2
297.24216	43.5
382.23074	4.1
383.23578	5.2
569.54102	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29555	0.5
53.03937	2.4
55.01669	0.6
55.01870	9.7
55.05509	29.6
57.03214	0.6
57.03434	9.3
61.02905	3.8
65.03952	0.6
67.05497	31.4
69.03426	4.9
69.06715	0.8
69.07062	17.0
71.04973	3.8
73.02886	1.0
76.75680	0.7
79.05482	34.0
80.04997	1.1
81.03415	11.3
81.07043	55.4
83.04972	11.8
83.08608	18.8
85.02893	8.3
85.06536	1.5
87.04445	0.7
89.40132	0.6
91.03931	1.5
91.04947	1.1
91.05463	20.0
93.07025	24.4
94.04150	0.6
95.04404	0.8
95.04955	16.7
95.08591	18.2
97.02870	4.4
97.06515	7.6
97.10156	29.2
97.86279	0.7
99.04440	1.6
99.08064	3.0
105.07029	14.4
107.04935	7.0
107.08584	19.4
109.02888	1.3
109.06499	6.7
109.10151	11.8
111.04431	15.2
111.08082	8.1
113.05970	0.7
117.07018	8.7
119.04839	0.8
119.08560	19.4
121.06507	7.3
121.10122	10.2
123.04378	1.1
123.08048	26.3
123.11689	1.2
124.07574	8.1
125.05991	0.9
125.09612	23.0
127.03866	1.0
128.06183	0.9
129.07022	5.1
130.07753	0.7
131.08545	10.8
133.06474	2.9
133.10112	7.7
133.33075	0.6
135.08005	7.2
135.11674	8.6
137.09607	7.0
139.11147	2.6
141.06958	0.9
142.07713	0.8
143.08560	4.5
144.69086	0.6
145.06480	1.2
145.10114	11.3
147.08052	8.7
147.11656	5.6
149.09625	7.5
149.13292	0.9
151.07507	1.3
153.09084	2.7
153.12724	6.7
155.08459	0.6
157.10144	5.1
159.07994	0.6
159.11700	3.5
161.09605	6.0
161.13190	0.7
163.11172	13.0
165.09079	3.8
165.12747	0.7
169.10059	0.8
171.10199	1.2
171.11694	3.7
173.09616	2.6
175.11148	4.9
177.12819	2.3
181.12196	7.2
181.28934	0.7
185.09605	0.9
187.11169	1.1
189.11200	13.7
189.12759	1.0
191.10640	3.3
193.12221	5.5
209.11842	0.8
213.16376	0.7
223.13260	2.7
223.60677	0.6
227.12721	6.7
227.17860	2.2
245.19038	1.5
255.17397	1.4
263.19870	0.8
273.15536	1.0
273.18472	20.3
283.15378	1.0
288.16965	0.7
291.19501	39.6
309.20471	5.9
347.22064	3.8
365.23181	47.2
383.24234	100.0
417.09796	0.8
481.13242	0.7
545.29169	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.6
53.03936	4.0
54.69209	2.5
55.01873	12.2
55.05504	27.2
57.03433	20.5
57.07076	3.2
61.02909	12.9
61.18850	2.3
62.54760	2.6
63.73188	2.9
67.05493	80.5
69.03423	14.3
69.07056	57.4
71.04968	4.7
71.82302	2.7
76.16064	2.4
79.05475	42.6
81.03407	27.8
81.07038	100.0
83.04964	4.5
83.08599	19.0
85.02901	27.8
85.06510	3.4
87.00824	4.9
90.80180	2.9
91.03926	3.9
91.05463	44.0
93.07026	38.2
95.04961	12.4
95.08594	52.8
97.02888	15.7
97.06509	21.3
98.09689	11.3
99.04443	3.3
105.07018	43.9
107.04951	6.5
107.08572	26.9
108.51274	2.8
109.02850	11.0
109.10168	29.6
117.06995	12.5
119.08572	30.2
120.90438	2.7
121.06479	4.4
121.10124	22.7
123.08000	5.4
123.11678	6.1
125.09623	3.1
127.03901	14.7
131.08571	23.7
133.10088	22.8
135.08044	3.9
135.11670	16.6
137.13255	4.0
145.10097	15.0
147.11658	11.3
149.09613	14.6
149.13167	4.8
157.10208	3.2
159.11691	12.6
161.13184	3.8
163.11171	5.5
173.11736	5.4
173.13217	4.2
229.14386	6.3
243.15791	4.2
258.08542	3.1
275.19983	19.2
279.22952	26.9
297.24124	3.7
312.06305	3.6
349.23602	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	3.3
53.03938	8.4
55.01872	20.1
55.05508	46.0
57.03429	31.7
57.07059	2.0
58.30145	1.5
61.02916	14.0
65.03910	2.5
67.05493	100.0
69.03423	12.4
69.07057	78.4
70.73183	1.6
71.01362	1.7
71.04983	9.7
72.63916	1.7
73.02901	4.3
79.05477	74.0
81.03388	19.5
81.07042	97.2
83.04964	12.3
83.08595	18.6
85.02891	19.2
85.06542	7.7
91.03935	2.7
91.05462	68.5
93.07027	65.9
95.04948	15.7
95.08585	56.0
97.02885	12.9
97.06516	29.0
97.10149	8.8
99.04456	2.8
103.03895	2.3
105.07022	57.8
107.04949	18.5
107.08577	35.5
109.06488	7.9
109.10137	40.2
111.08083	4.5
117.06983	20.0
119.08574	41.9
121.06498	8.9
121.10145	17.7
123.02633	1.9
123.08056	11.3
123.11685	7.5
125.09617	8.5
127.03919	3.4
129.05482	2.4
129.07011	9.0
130.07806	2.3
131.08549	27.1
133.06509	3.0
133.10094	30.3
135.08014	4.4
135.11655	17.4
137.09613	10.6
143.08557	7.2
145.06488	2.3
145.10117	21.6
147.08017	1.9
147.11702	17.2
149.09615	23.2
149.13310	4.1
151.11191	3.1
155.10689	2.4
157.10098	7.7
159.11661	14.6
161.13277	8.7
163.11139	13.9
171.10118	10.2
171.11662	7.3
173.11700	8.1
173.13254	9.5
177.12689	2.5
179.14365	3.0
189.12758	2.4
197.13354	1.8
229.14284	17.2
229.19557	2.5
243.15894	11.5
253.17937	2.6
255.15923	8.0
257.19006	7.0
275.20065	32.3
291.19696	3.0
297.16794	2.2
336.20273	1.9
349.23663	77.2
367.24734	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	580.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
56.83700	0.4
57.03407	0.5
68.05001	1.7
68.87526	0.4
69.03407	4.5
70.06577	38.3
71.04943	0.4
77.12527	0.4
80.04977	1.7
81.03390	0.8
85.02879	2.1
91.05475	3.6
94.06526	1.9
96.04468	79.0
97.02869	8.3
103.05437	0.7
103.56487	0.4
106.06516	0.7
107.07325	7.2
108.08069	0.4
110.06020	1.8
113.07157	3.2
114.05504	18.9
118.06509	8.9
119.04913	11.7
120.08075	14.9
121.07554	0.6
122.06004	0.4
123.04436	1.0
127.03897	2.7
130.06477	1.0
135.04317	0.6
135.09122	0.5
139.03860	1.0
144.14415	0.4
145.07568	1.1
146.05933	0.5
147.04387	50.6
148.07547	31.8
149.02351	2.2
151.08597	2.9
151.34004	0.4
163.03781	0.7
163.08632	52.5
165.05420	1.7
165.10172	2.1
166.08588	3.9
169.13048	0.4
174.58673	0.4
179.08171	4.0
191.08115	100.0
193.09689	13.5
193.11382	0.6
194.08096	2.5
197.16037	0.4
209.09186	21.3
211.10721	0.5
219.07574	0.4
236.10266	2.4
237.08653	69.0
254.11298	32.5
254.13997	0.8
255.09700	43.8
270.96985	0.5
272.12350	9.7
291.08722	0.8
309.09607	4.9
377.06339	0.5
417.77960	0.5
528.65308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11385	5.3
67.05490	9.3
68.74500	6.2
79.01620	11.6
81.96559	5.8
109.10181	10.6
125.96465	6.8
138.02960	13.3
176.42641	6.5
195.09877	33.1
211.05788	8.3
214.22392	7.2
223.12946	14.5
229.71269	7.0
251.12581	14.7
267.12000	16.4
323.14633	38.0
336.26166	8.2
379.20709	9.9
400.69470	7.8
420.05594	7.1
423.23416	100.0
433.25214	12.2
434.26419	12.5
479.26572	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	580.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22461	1.3
51.40252	1.1
53.03943	1.6
63.84271	1.4
67.05495	1.3
68.99774	1.5
69.03421	3.5
70.06582	40.5
77.55495	1.3
80.05002	1.4
81.03426	1.7
81.07077	1.3
85.02893	6.0
86.09701	2.0
91.05480	3.5
96.04475	86.6
97.02895	3.4
100.91553	1.7
104.88910	1.5
107.07335	8.0
111.04413	2.0
113.07106	2.2
114.05518	18.1
118.06519	8.7
118.48661	1.5
119.04929	7.9
120.08089	10.5
122.06124	1.4
123.04391	10.3
123.57908	1.4
124.07597	2.0
127.03914	18.9
128.04216	2.8
131.08490	1.6
135.04405	6.3
136.04774	1.5
136.34485	1.4
139.03899	7.1
145.07645	1.8
147.04402	31.4
148.07552	27.0
149.02403	2.4
151.08655	2.6
163.03825	5.3
163.08641	50.0
166.08627	2.9
167.03447	1.6
179.08092	2.0
191.08133	100.0
193.09773	13.7
203.03310	1.5
209.09163	21.8
229.56775	1.5
230.05396	1.5
237.08685	58.1
245.04340	1.7
247.05968	2.5
254.11317	28.4
255.09724	36.1
255.92427	1.9
272.12393	3.4
292.08755	1.6
332.15363	1.7
506.98611	1.6
565.56982	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	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.51524	1.6
55.01863	11.1
57.03420	8.5
61.02895	1.8
61.92196	1.8
63.87571	1.7
68.99770	4.1
69.03414	34.9
70.57333	1.7
71.04979	3.7
73.02899	2.9
79.05446	1.6
80.05006	2.8
81.03403	27.3
81.07027	2.8
85.02419	3.4
85.02891	60.9
87.00802	27.6
91.05473	18.6
93.71519	2.0
95.04940	3.3
95.08569	3.0
97.02886	27.4
99.04443	9.7
105.01859	12.2
105.07021	3.9
107.04940	4.2
107.08550	2.0
108.74627	1.9
109.02867	16.5
109.06509	3.4
115.03998	3.3
115.05441	2.8
117.01852	2.6
117.03361	3.8
119.04916	10.1
121.06514	3.9
122.03651	4.0
123.08127	2.5
124.07584	32.4
127.03889	23.6
129.07028	14.4
129.07811	1.8
131.04886	4.6
133.10130	2.7
135.04388	11.6
135.08061	3.7
137.02330	38.4
137.05957	100.0
138.02652	8.7
139.02722	3.2
143.04868	3.4
145.02850	7.1
145.06461	2.0
145.10031	2.8
149.05978	4.3
151.03873	10.1
151.07521	56.5
151.08644	3.3
151.11099	2.0
157.06490	10.5
159.02879	3.6
159.08035	3.1
161.05945	21.6
163.03879	35.9
163.07507	18.1
164.04228	12.7
165.04382	3.6
167.08517	4.7
168.05615	2.1
168.74864	2.1
169.06451	2.1
174.06760	4.4
175.07524	11.6
176.07927	2.6
177.09158	3.2
178.07762	2.3
181.06441	2.1
187.07607	2.3
189.09038	19.5
193.10071	4.4
195.08046	16.1
195.09946	3.0
197.06075	2.2
199.07547	3.9
203.07011	7.4
209.07945	3.8
211.07463	3.3
215.06943	2.2
221.05965	7.4
221.09589	4.2
223.07477	9.0
225.09158	3.8
227.10677	16.4
231.04924	2.8
249.11200	2.9
251.10670	3.0
253.08539	9.6
253.12173	12.1
255.10153	18.7
261.08762	3.4
265.08630	4.2
267.10098	3.3
273.09018	2.3
279.10056	2.5
281.11725	3.2
285.11151	14.2
287.12668	23.5
290.09225	2.2
293.11792	2.5
297.11179	10.2
299.12766	9.8
305.11743	2.1
306.08826	2.3
309.11276	3.7
311.12659	14.5
313.14264	14.5
323.12631	2.7
331.15405	39.7
341.13806	4.7
343.15457	15.7
352.07217	2.2
353.13425	2.2
367.15091	2.4
421.16382	8.0
495.91977	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	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.05502	0.4
67.05493	0.3
69.03417	0.6
79.05480	0.6
80.05005	1.2
81.03400	1.2
81.07053	0.5
84.43024	0.2
85.02876	1.4
87.00820	0.5
91.05470	0.3
93.06998	0.5
94.04158	0.5
95.08573	0.5
105.07040	0.4
109.02844	0.5
109.10137	0.3
121.10102	0.3
122.03626	3.8
124.07574	5.8
127.03904	0.6
131.08490	0.3
137.05960	100.0
145.10028	0.3
147.04436	0.3
163.03900	0.4
217.14441	0.2
262.93921	0.3
275.08340	0.3
305.40329	0.3
323.92831	0.3
331.11700	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02370	0.4
54.82090	0.4
55.01862	2.4
55.11967	0.3
60.69461	0.4
65.03899	0.8
66.98030	0.4
68.99773	6.2
71.42342	0.4
72.65964	0.4
77.52743	0.5
79.05453	0.7
81.03397	2.8
89.03902	0.5
91.05495	0.6
93.03340	0.5
94.11667	0.4
95.04919	2.2
99.04416	0.9
103.05431	0.5
105.03403	0.6
107.04957	5.0
108.75513	0.4
109.02895	3.3
111.00813	3.0
111.04436	2.5
115.05476	0.4
119.04900	0.8
121.02881	1.8
123.04413	44.9
127.03900	100.0
131.04921	2.7
133.06444	0.6
135.04399	40.5
137.02293	3.3
139.03893	56.2
141.01808	0.5
141.06964	1.0
143.04889	0.6
147.04405	8.2
149.02332	6.2
149.05997	3.3
151.03870	7.7
153.01897	0.6
153.07008	0.7
153.31837	0.5
155.04858	0.9
157.06500	1.0
159.04427	4.3
161.05946	5.1
163.03877	35.1
165.05461	4.8
167.03362	9.5
167.04707	0.8
169.06470	2.4
173.05945	3.9
175.03894	5.4
177.05432	5.5
179.03342	3.7
179.07095	0.6
181.04884	0.5
181.06390	0.9
183.04393	1.8
185.05925	0.6
187.03828	7.8
187.05235	0.6
187.07449	0.8
189.05405	3.0
191.03354	12.8
193.04967	5.6
197.05936	5.0
201.05449	7.9
203.03389	12.3
203.07082	2.0
205.04970	3.9
207.06511	1.0
213.05486	2.0
215.03360	2.4
215.07095	3.2
217.04922	1.7
225.05440	1.8
229.04919	8.3
231.06526	1.5
233.04413	7.5
241.04852	1.0
243.06506	5.3
245.04422	6.9
247.05971	11.2
251.05496	0.9
255.06583	2.1
257.04425	10.0
258.05405	0.5
259.06012	5.8
269.04480	2.6
271.05972	15.1
273.07498	1.0
275.05438	11.3
283.05988	5.0
287.05463	19.3
289.06992	8.4
291.08612	9.2
299.05322	3.1
301.06973	9.4
303.08704	0.9
409.09125	16.5
411.10837	2.0
427.10056	5.0
439.10513	0.9
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	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.53142	0.4
54.81573	0.4
55.01865	0.9
57.77976	0.4
65.03922	0.6
67.01842	0.5
67.05497	0.7
67.73703	0.4
68.07948	0.5
68.99770	7.0
77.03858	0.5
77.39639	0.4
79.05445	0.5
79.72380	0.4
81.03395	2.7
85.02939	0.5
91.05425	0.4
93.03319	0.4
95.04923	1.1
97.08293	0.4
99.04420	0.6
105.03355	0.6
107.04958	4.3
109.02885	3.6
111.00778	2.9
111.04411	4.3
117.03390	0.9
119.04899	2.0
121.02823	2.0
123.04403	44.0
127.03892	100.0
128.04271	0.5
131.04883	3.4
135.04390	42.1
137.02325	3.1
137.05872	0.6
139.03880	52.0
141.06981	0.6
144.75072	0.4
145.06474	1.0
147.04407	8.9
149.02322	6.5
149.05920	2.5
151.03896	8.1
155.04839	0.5
157.06465	1.1
159.04381	6.4
161.05963	4.2
163.03874	34.2
164.04564	0.6
164.62143	0.5
165.05455	5.9
167.03381	8.3
169.06468	2.0
173.05972	4.5
175.03925	4.6
177.05466	4.5
179.03368	4.8
179.07079	0.6
181.04973	0.7
181.06412	0.7
183.04454	0.6
185.05968	1.0
187.03833	8.8
187.07568	0.6
189.05383	3.3
191.03340	13.7
193.04947	5.3
197.05965	4.9
201.05417	7.9
203.03372	10.4
203.07025	3.3
205.04897	4.1
207.06422	0.8
213.05440	2.5
215.03285	1.7
215.07002	3.9
217.04956	1.0
217.80817	0.5
220.17189	0.5
225.05446	1.7
229.04883	9.9
231.06369	0.8
233.04375	7.1
241.04959	2.3
243.06467	5.6
245.04407	8.7
247.05934	11.4
251.05455	0.7
253.05156	0.6
255.06516	2.8
257.04401	11.5
259.05914	6.9
269.04391	2.8
271.05948	16.9
273.07578	0.7
275.05466	10.8
283.05969	5.6
287.05466	20.7
289.06985	8.3
291.08569	9.6
297.07742	0.7
299.05487	2.4
300.96942	0.5
301.06998	8.1
303.08722	1.1
386.26038	0.5
409.09045	16.3
411.10739	3.0
421.08865	0.6
427.10199	5.4
451.55197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01867	13.6
55.05507	37.6
57.03431	14.2
61.02918	3.0
61.23615	2.1
61.36456	2.1
67.05495	45.8
69.03419	6.1
69.07055	27.5
71.04971	4.9
73.02906	3.1
79.05476	45.7
80.98209	2.2
81.03403	25.6
81.07045	58.8
83.04987	18.4
83.08607	17.9
85.02905	13.7
91.05470	35.0
93.07024	54.1
95.04942	17.9
95.08574	26.3
97.02844	5.0
97.06481	19.1
97.10155	19.5
99.08067	3.5
105.07059	20.3
107.04973	11.5
107.08577	38.2
109.02870	11.2
109.06519	19.1
109.10161	14.7
111.86174	2.6
112.64475	2.3
117.07000	14.5
119.08549	22.2
121.00928	2.3
121.06516	10.0
121.10123	15.3
123.04436	4.2
124.07593	22.2
125.09624	14.1
127.03886	6.2
129.06984	3.4
131.08514	4.3
133.10133	13.0
135.08051	22.1
135.11700	24.9
137.06052	2.7
143.08611	5.0
145.06497	3.7
145.10104	6.0
147.11763	2.8
148.63037	2.4
149.09592	3.9
151.11147	2.6
153.09097	5.2
153.12701	2.8
159.08029	4.3
161.09560	9.7
163.07512	14.3
163.11105	11.6
163.73685	2.9
165.05142	2.7
171.10167	3.2
172.46690	2.9
175.11096	3.5
181.12302	4.6
189.09178	3.1
191.10660	4.1
193.12195	28.6
208.50531	2.6
215.48274	2.6
255.15900	33.5
259.20203	3.1
261.18481	4.4
275.19891	2.6
277.21506	10.8
283.15240	3.6
289.17828	37.6
295.22690	18.8
307.19006	14.0
363.21436	26.0
366.53830	3.2
381.22647	100.0
404.21426	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	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01870	7.5
55.05240	0.7
55.05506	19.0
56.20620	0.5
57.03431	8.1
59.04982	0.8
60.01614	0.6
61.02906	4.2
65.67419	0.6
66.55277	0.5
67.05499	16.0
69.03408	4.3
69.06715	0.9
69.07059	19.8
71.04971	1.4
73.02911	0.8
79.05476	20.4
80.04971	0.7
81.03396	7.9
81.07043	32.2
83.04972	8.0
83.08608	9.6
85.02901	6.8
85.06512	1.0
87.00809	0.7
91.03946	0.6
91.05462	16.9
93.07027	20.3
95.04950	7.7
95.08596	9.9
97.02865	4.0
97.06519	5.2
97.10157	11.1
99.00798	2.8
99.04453	0.8
103.05432	0.9
105.07024	11.9
107.04954	8.4
107.08583	14.8
109.02888	4.6
109.06497	5.3
109.10135	5.1
111.04426	3.6
111.08055	3.0
115.05396	0.9
117.06997	8.9
119.04916	1.2
119.08571	13.4
121.06496	5.3
121.10116	3.4
123.04411	4.5
123.08062	3.1
123.11641	1.0
124.07570	5.2
125.09612	7.6
127.03918	1.1
128.06198	1.1
129.06990	2.3
131.08542	6.0
132.59322	0.7
133.06436	1.4
133.10126	8.9
135.04346	1.1
135.08047	15.4
135.11684	4.0
137.05937	1.2
137.09636	5.3
143.08536	3.4
145.06487	3.8
145.10146	6.5
147.04378	1.5
147.08018	3.6
147.11661	3.0
149.09637	3.1
151.11171	1.3
153.09065	3.2
153.12743	2.7
155.08478	0.9
157.10103	2.5
159.08014	5.5
159.11639	1.0
161.09618	4.8
163.07550	7.7
163.11151	4.2
171.08052	0.8
171.11607	0.9
173.09540	2.7
175.11127	1.1
177.09140	1.1
179.10683	1.4
181.12239	1.2
183.11676	1.1
187.11124	0.9
189.09084	1.4
189.11119	3.2
191.10683	2.7
193.12238	15.8
201.12756	0.9
227.12717	1.0
243.13443	0.6
243.17393	3.1
261.18506	3.2
262.42657	0.7
271.16690	5.4
277.21478	1.1
289.17914	16.2
307.19040	5.0
311.66571	0.7
363.21518	8.4
381.22647	100.0
543.27686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	6.2
55.05509	63.8
57.03422	9.1
67.05495	100.0
67.53772	4.5
69.07047	26.1
79.05479	61.3
81.03387	6.3
81.07046	93.4
83.05003	4.7
83.08608	27.6
85.65126	5.0
87.71643	5.4
91.05473	58.7
92.09284	10.7
93.07040	75.3
95.04977	6.7
95.08584	80.3
97.02811	5.3
97.10131	24.8
99.00793	24.6
102.60378	5.4
105.07033	47.8
107.08575	36.4
109.02885	9.0
109.10173	40.3
111.08075	4.8
117.06986	22.2
119.08550	25.1
121.10134	22.9
123.11681	6.8
125.09612	9.3
131.08531	30.1
133.10078	47.0
135.11656	23.6
143.08516	19.4
145.10086	20.9
147.11658	10.7
149.04002	5.2
149.13208	5.5
151.11166	5.3
155.08466	6.7
159.11739	8.1
161.09605	8.5
161.13171	9.8
168.82869	5.8
171.11646	6.7
173.13327	5.7
189.09114	9.2
205.03879	5.2
261.22070	11.6
287.23587	5.4
299.14856	35.8
315.23038	10.9
335.25781	61.4
384.11014	6.1
457.32480	5.9
467.31763	9.1
485.32428	7.3
513.34833	7.7
531.36609	8.9
541.35352	57.7
559.36206	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14176	2.7
55.01862	14.1
55.05503	13.0
57.03434	3.6
57.07067	35.5
59.04991	4.1
60.86510	3.0
67.05513	23.9
67.39377	2.7
69.07040	5.0
70.31768	3.6
71.08624	16.8
76.61840	3.1
79.05473	100.0
81.07052	15.5
83.08608	7.6
84.65801	2.9
85.10166	12.3
91.05463	31.0
93.07034	34.1
93.58634	3.0
95.08589	13.6
97.24462	3.5
97.28676	3.1
98.98452	27.5
105.07033	18.9
107.04945	15.4
107.08585	66.9
109.10123	8.1
114.68408	3.7
121.10094	13.5
131.08539	7.8
149.09613	51.8
155.01010	15.1
229.07277	3.7
241.73212	3.8
313.27414	38.0
367.28305	4.1
394.92020	4.1
461.36185	45.0
479.37076	5.8
514.70758	3.4
519.28119	3.8
524.32172	3.8
531.88208	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	577.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37549	1.7
57.07053	3.2
58.97173	1.9
60.69935	1.7
67.72391	1.7
74.59391	2.5
112.21748	1.9
164.38492	2.2
168.91557	2.4
208.31094	2.2
577.37036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.3
55.05503	54.5
57.03420	11.8
57.07073	5.7
59.04995	6.0
64.18135	4.2
67.05494	88.4
69.07050	23.7
70.62033	4.1
72.28690	4.6
79.05477	67.5
81.07044	100.0
83.04961	7.6
83.08601	28.9
91.05471	56.8
93.07034	80.6
95.04939	9.3
95.08598	57.3
97.06517	5.1
97.10152	28.6
99.00793	18.6
105.07011	68.3
107.04871	5.0
107.08579	50.2
109.02853	4.9
109.10139	32.0
117.07008	23.6
119.08559	30.9
121.10150	37.5
123.11670	6.1
125.09595	11.8
129.07004	7.3
131.08554	24.1
133.10118	56.0
135.11700	20.0
143.08537	21.4
145.10136	11.9
147.11694	11.0
149.13203	7.7
151.11179	7.9
157.10077	20.8
159.11671	10.6
161.09647	11.1
163.11098	7.0
166.74281	4.6
169.10075	8.9
171.11714	4.7
173.13228	18.1
179.10721	4.9
189.09093	7.6
189.16238	4.8
261.22217	9.2
299.14856	27.6
315.23306	6.4
335.25604	30.7
408.32584	5.7
435.21652	5.1
449.30011	8.2
467.31860	9.5
485.32642	9.8
513.35809	8.7
531.36829	8.7
541.35236	49.1
559.36218	50.9
577.37109	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	576.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66557	3.7
53.44126	3.5
55.01863	5.0
55.05514	31.8
55.05719	3.5
57.03426	28.5
57.07067	52.9
59.23152	4.3
67.05492	100.0
69.07050	16.6
71.08623	28.7
78.06825	4.0
79.05477	7.5
81.03410	69.2
81.07045	34.7
83.04952	5.8
83.08601	33.6
85.10163	6.1
91.05462	17.3
93.07013	4.7
95.04924	14.4
95.08591	23.1
97.10149	8.7
105.07004	6.5
109.10143	67.6
111.08080	6.9
119.08547	13.9
123.08041	4.1
129.06946	8.0
131.08588	5.3
133.10100	5.7
152.87987	3.9
157.10048	6.3
173.11729	19.8
175.11194	4.9
193.12184	19.5
229.14301	27.1
262.61777	4.7
267.15805	60.2
313.27295	70.3
383.24261	24.6
505.38797	62.1
514.44214	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.6
55.01865	13.5
55.05509	35.2
57.03424	11.7
64.34573	6.8
67.05484	63.6
69.03430	56.8
69.07059	29.9
71.05009	10.4
71.41010	7.2
73.02900	9.1
79.05479	47.5
81.03397	57.7
81.07032	58.3
83.08620	15.8
85.02903	100.0
86.09705	40.3
87.00829	42.2
91.05498	32.7
93.07034	31.6
95.08595	63.9
95.37230	7.1
96.73105	7.5
97.02854	31.4
97.06526	7.7
97.10146	7.1
99.04443	7.4
105.01867	16.1
105.07019	14.1
105.95985	7.2
107.08593	16.1
109.02884	33.5
119.08584	18.8
121.10139	11.7
123.11673	7.2
125.00004	36.3
127.03908	59.3
133.10199	10.7
145.10121	10.0
149.13252	9.1
159.02827	8.6
159.10178	9.7
184.07356	68.8
231.05009	12.6
275.20084	17.1
293.21204	15.7
354.45853	7.5
385.85864	7.7
419.71448	7.8
543.57526	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	576.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52553	2.5
55.01868	3.8
55.05494	19.7
57.03419	19.0
57.07070	27.9
59.04985	5.2
61.02087	2.7
67.05491	100.0
69.07048	7.8
71.08613	15.9
73.62267	2.7
74.86158	3.2
79.05489	7.0
81.03025	2.8
81.03409	39.2
81.07045	32.4
83.05019	3.2
83.08585	16.2
85.10136	4.2
89.05981	4.7
91.05455	13.5
92.65096	3.7
93.07031	7.1
95.04951	14.6
95.08585	17.5
97.10155	6.7
105.07013	6.3
109.10142	80.9
111.08075	4.7
119.08549	5.6
157.10104	5.8
173.11674	12.8
193.12170	13.1
229.14302	7.1
267.15839	26.8
272.05167	3.5
313.27286	39.6
333.73914	3.8
355.91965	3.2
383.24152	56.0
398.35056	3.5
402.42548	3.2
436.12210	3.7
505.38675	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.1
53.03933	0.6
55.01861	0.4
55.05503	14.1
57.03421	0.3
61.02910	0.2
64.33641	0.1
65.03924	0.4
65.48607	0.1
68.99762	0.2
69.03421	1.2
71.04968	0.3
73.02901	0.5
73.06538	7.3
81.03402	1.7
85.02889	2.8
85.03416	0.1
87.00802	1.8
91.03904	0.1
91.05445	0.5
93.03390	0.1
97.02876	1.5
99.04420	0.6
105.01850	0.6
109.02864	1.3
111.04386	0.1
116.06190	0.1
117.01865	0.3
121.02848	2.1
121.03801	0.2
126.63662	0.1
127.03887	1.3
127.04786	0.1
128.56937	0.1
129.01817	0.1
129.06992	1.2
131.08545	1.8
133.02806	0.1
143.04900	0.5
145.04953	0.4
147.08005	0.3
149.02321	100.0
150.02673	0.4
157.06454	0.5
159.02936	0.6
161.05939	3.4
167.03365	1.2
175.07509	13.6
185.06004	0.5
203.06999	12.5
204.07478	0.1
221.08049	4.9
275.12717	4.7
293.13773	34.3
294.14050	0.3
311.14886	0.5
433.03616	0.1
473.92432	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	575.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51995	5.0
55.01861	8.6
55.05504	49.2
57.03421	9.9
67.05492	62.2
69.07054	11.8
79.05473	74.7
81.07038	76.0
83.08611	30.4
87.72095	4.3
91.05469	100.0
93.07019	66.5
95.04963	7.4
95.08595	40.4
97.10139	23.1
99.00770	23.8
105.07005	94.2
107.04968	8.9
107.08568	39.1
109.02834	12.6
109.06516	6.9
109.10127	6.4
117.07001	35.2
119.08574	53.5
121.06489	9.1
121.10140	11.0
125.09615	27.3
129.06967	24.3
131.08569	35.4
133.10144	56.6
135.11649	8.1
141.07036	7.6
143.08563	36.7
145.10106	34.7
147.11662	23.9
149.13246	10.6
155.33134	6.6
157.10152	22.5
159.11673	31.2
161.09624	11.9
161.13199	9.4
167.08461	7.0
169.10097	9.0
171.11563	9.2
173.13277	6.4
175.14886	7.6
179.10600	6.6
183.11659	9.2
185.13307	8.3
195.11691	9.5
211.14711	5.5
241.19453	10.4
259.20581	25.0
275.19901	5.5
299.14838	23.8
313.21680	9.0
320.48447	5.6
333.24329	21.0
447.28952	8.7
465.29831	23.0
468.62839	8.1
483.31006	7.0
529.35114	24.2
539.33624	94.7
557.34564	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01991	9.7
55.05502	16.5
57.03422	17.7
57.07059	72.7
67.05494	25.6
69.07046	16.4
71.08601	16.9
79.05457	22.0
81.03401	21.8
81.07023	58.6
83.04960	15.5
87.04443	75.8
91.05430	13.7
92.08666	22.4
93.07016	54.3
95.04925	11.0
95.08572	50.3
107.08562	21.4
109.10178	20.1
121.10080	15.1
135.11716	15.4
139.93938	16.0
181.45328	11.8
205.60573	12.0
209.11670	14.6
283.15344	97.1
301.16409	52.0
313.27365	100.0
513.78156	12.3
539.39191	17.3
604.72504	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	574.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.3
56.96228	3.4
57.07069	47.3
58.76841	3.4
67.05490	54.9
69.07062	9.0
70.26929	4.4
71.04980	20.8
71.08625	28.3
79.05463	5.8
81.07035	86.8
83.08620	10.4
85.06548	7.4
85.10170	18.0
87.04454	20.3
91.05466	16.5
92.08638	8.6
93.07024	8.6
95.08610	22.5
97.04833	4.8
97.14478	3.7
105.07003	4.7
107.08569	8.4
109.10149	17.5
123.11684	10.3
131.08586	5.1
133.10155	8.4
151.11243	5.4
160.81662	4.1
301.20007	7.8
313.27380	20.3
382.72491	4.9
401.47849	4.5
481.38705	100.0
539.42822	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.2
54.23092	0.9
54.55574	0.9
55.01854	6.6
55.05270	1.6
55.05506	29.1
57.03426	16.9
57.07061	6.0
59.04978	5.8
65.03918	1.8
67.05491	100.0
69.03409	1.9
69.06713	1.7
69.07053	29.0
71.04966	1.8
79.05466	6.2
81.07039	15.5
83.04969	5.5
83.08604	11.4
83.29609	0.9
85.06514	4.0
87.04442	6.8
91.05451	6.2
92.08556	2.6
93.07018	5.4
95.08588	8.7
97.06516	2.1
97.10146	5.2
98.07283	2.6
107.08588	4.5
109.10138	86.3
111.08065	6.6
115.86160	1.0
116.04662	4.6
117.05431	7.7
119.08537	6.0
125.09601	1.4
126.54881	1.3
127.11172	1.3
129.05452	6.3
137.09592	1.4
138.88875	1.1
143.06995	2.3
154.09837	1.6
155.10643	2.1
157.08578	5.3
171.06430	1.3
171.10135	1.7
173.11696	22.3
176.43968	1.2
183.36462	1.4
185.07977	1.5
185.11691	2.6
189.11046	1.3
199.09692	1.9
200.13924	2.0
201.14830	4.3
227.12669	2.4
229.14311	40.7
242.15132	4.6
256.26468	1.6
268.11240	1.2
326.24338	2.0
339.21658	2.4
359.24182	1.1
381.01346	1.5
383.24249	27.9
491.22226	1.3
534.57166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05508	18.6
55.77192	1.4
56.36290	1.3
56.69735	1.2
57.03436	18.0
57.07062	2.7
59.04994	3.2
66.37480	1.3
67.05496	100.0
69.03406	2.4
69.07056	13.0
71.04971	3.6
76.56567	1.3
79.05466	13.4
81.06602	1.6
81.07046	31.7
83.04974	3.2
83.08610	11.6
83.83800	1.8
85.06543	2.1
87.04451	8.3
91.05467	18.5
92.64603	1.7
93.07027	13.0
95.04931	2.3
95.08584	11.0
105.07005	7.1
107.08581	6.9
109.10150	70.6
111.08089	2.3
116.04673	1.8
119.08563	8.9
121.10155	1.6
123.11687	1.6
129.05450	11.6
131.08624	1.4
133.10091	1.9
137.09563	3.2
143.07069	1.5
147.31693	1.6
155.10641	3.0
165.12778	2.1
173.11714	20.0
229.14322	33.7
239.16432	6.3
240.17355	1.4
242.14949	1.5
257.33755	1.7
269.17276	1.8
280.26022	1.5
383.24194	25.0
393.26019	1.9
423.27191	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	574.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.9
55.01861	2.8
55.05510	7.3
57.03438	6.7
57.07070	73.8
67.05492	16.5
67.69162	0.5
69.03419	1.2
69.07056	12.9
70.08234	0.6
71.08617	52.3
73.02908	1.0
75.04475	3.2
79.05478	1.6
81.03411	3.2
81.07045	24.3
82.58934	0.7
83.08610	16.3
85.02901	1.1
85.10172	26.4
85.10654	1.3
89.06039	1.4
90.08310	0.7
95.08588	37.5
97.02894	0.8
97.10143	8.4
99.04434	1.2
99.11699	0.7
102.48203	0.6
103.52597	0.6
107.08561	0.7
109.02863	5.5
109.10136	15.9
110.03664	3.0
111.04433	1.4
111.11695	0.9
123.11691	6.0
125.13300	0.8
127.03896	3.1
137.13266	3.0
152.43390	0.7
191.00055	1.4
196.72945	0.8
221.22731	1.2
238.07028	0.6
239.23660	23.3
257.24643	6.2
259.53928	0.6
313.27328	100.0
314.27679	1.1
331.28351	18.8
465.25446	1.2
475.08340	0.7
539.28998	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
53.51132	1.0
55.01866	5.0
55.05510	14.1
57.03433	11.7
57.07066	5.0
59.04997	2.4
67.05494	100.0
69.03418	1.4
69.07056	11.1
71.04990	1.3
71.08627	1.4
79.05477	14.4
81.03393	1.9
81.07043	37.4
83.04968	2.9
83.08604	10.6
85.02842	1.5
85.06534	2.2
87.04465	5.5
91.05456	17.9
93.07021	18.6
95.04967	4.6
95.08586	12.0
97.06518	2.7
104.87886	1.1
105.07018	6.2
107.08582	8.2
107.63750	1.4
109.10145	65.4
111.08076	7.5
116.04659	1.0
117.05473	1.1
119.08577	7.4
121.10147	2.6
123.11686	1.3
129.05495	9.3
131.08612	1.7
133.10149	2.4
135.11621	1.4
137.09634	2.3
141.20743	1.3
147.11678	1.8
157.08563	1.5
158.51305	1.2
165.12701	2.3
173.11713	13.8
185.11731	1.6
187.22095	1.2
195.13879	1.5
229.14320	23.5
230.45122	1.3
239.16414	2.5
269.17258	1.4
383.24152	14.5
423.27362	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
57.03446	3.0
57.07071	66.3
67.05506	30.6
68.04419	3.1
69.07047	13.9
71.05004	3.4
71.08617	54.2
75.42348	3.8
79.05464	5.1
81.03420	3.8
81.07046	30.1
83.08615	21.7
85.10175	26.8
86.09747	3.4
92.08630	9.4
93.07059	6.0
95.08600	40.1
97.10156	4.6
98.02431	3.1
99.04430	4.2
105.07050	3.7
107.03139	3.7
109.02870	4.1
109.10157	23.4
119.08536	3.7
123.11715	6.1
178.90359	3.4
184.07399	6.9
202.26869	3.5
239.23596	25.1
257.46494	3.8
272.58163	3.4
313.27353	100.0
331.28384	23.0
539.28607	3.6
598.64941	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	574.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
54.81414	1.2
55.01854	3.0
55.05512	12.5
57.03428	1.4
67.05501	2.0
69.03397	5.4
69.07040	1.9
71.04978	16.6
72.04575	1.3
73.06525	1.9
75.36774	1.3
79.05471	3.0
81.03405	7.9
81.07031	3.2
83.04962	12.8
83.30350	1.3
85.02903	10.7
87.00819	2.9
91.05453	28.6
92.08604	1.7
93.07016	3.4
95.04940	11.4
95.08586	2.0
97.02855	6.1
97.06502	7.0
97.51915	1.3
99.04428	8.6
103.05445	6.0
105.07027	10.1
107.04930	10.8
107.08535	2.1
109.02852	5.9
109.06506	2.9
115.05443	2.9
117.06948	4.5
119.04912	46.6
119.08562	2.5
121.02847	2.5
121.06474	9.3
121.10119	1.7
122.03636	6.8
123.04404	2.2
123.08033	2.8
127.03875	5.8
128.06143	2.1
129.06996	17.2
130.04138	1.6
131.04903	7.3
131.08533	10.8
133.02802	7.5
133.06465	5.7
135.04414	3.1
135.08029	5.5
137.02332	43.0
137.03378	2.4
137.05951	100.0
141.06952	3.2
143.08630	1.4
144.05649	1.8
145.06444	6.5
147.04388	83.1
147.07982	2.5
148.05135	1.7
149.02324	38.5
149.05998	9.9
151.03902	2.5
151.07518	44.5
152.06233	1.5
157.06485	9.2
158.07204	2.3
159.08012	7.3
160.05254	1.7
161.05940	90.8
161.09599	21.9
162.06728	7.6
163.03876	9.6
163.07463	10.8
165.05608	1.8
165.06955	7.4
167.08531	5.8
169.04909	6.7
169.06389	2.3
173.13216	2.4
174.06729	14.3
175.07507	30.0
177.09084	9.2
179.07016	5.2
181.06448	2.4
186.06696	2.3
187.07544	2.2
189.09059	51.7
189.12662	2.1
190.07666	2.2
191.06952	1.5
191.08528	7.6
191.10449	1.5
193.06476	5.1
194.07253	1.7
195.08032	10.0
195.10179	6.3
196.05205	1.7
196.08760	1.5
197.05969	2.1
197.09538	1.6
199.07516	2.4
201.09113	7.1
203.06984	5.9
205.06459	3.0
207.08182	3.2
207.10106	30.8
208.08820	2.3
210.06647	2.7
211.07494	5.5
215.06902	5.4
218.07225	1.7
219.06313	3.2
219.08031	10.9
219.10045	58.2
220.08946	2.1
221.05936	7.7
221.07793	2.4
221.09669	2.8
222.06763	2.8
223.07507	8.6
223.11058	1.8
224.08221	2.3
225.09058	9.4
227.06955	2.9
227.10632	6.0
234.06802	2.0
235.07431	2.9
237.05408	2.0
237.09071	9.8
239.06906	2.9
240.07732	2.9
241.08498	2.4
242.09503	1.7
247.07509	7.3
248.08194	2.6
248.84612	1.4
249.09067	2.4
251.06953	5.9
251.10641	7.7
252.07767	3.3
252.53746	1.5
253.08531	19.4
253.12184	2.3
255.06483	2.9
255.10091	7.2
259.09567	9.0
264.07758	3.3
265.08527	14.3
266.09299	2.0
267.10110	7.3
269.08035	2.8
269.11694	2.8
270.08591	4.1
271.05835	19.0
273.18515	2.9
279.10120	11.8
281.08047	1.9
283.09558	9.6
285.11124	7.8
287.12766	3.1
291.12234	8.5
291.19470	13.1
296.10373	7.5
297.11154	22.8
309.11108	5.7
311.12704	16.4
313.14291	7.1
315.12140	2.2
323.12836	2.1
327.12271	2.3
329.13754	33.5
331.15347	14.3
337.14343	2.8
342.14700	1.6
355.15384	20.6
367.15262	7.4
419.19800	1.7
439.10196	3.3
479.20471	10.9
491.20532	2.9
509.21304	7.4
515.79419	1.5
539.24591	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43165	1.0
53.03941	1.5
54.81690	1.1
55.01856	2.0
55.05502	9.2
55.56250	0.9
57.03433	1.3
65.03926	1.7
67.05474	1.8
69.03418	5.1
69.07057	1.8
71.04976	6.5
79.05470	7.3
81.03394	7.6
81.07039	5.4
83.04966	6.6
85.02890	6.1
85.06517	1.8
87.00816	2.8
91.05461	30.0
92.08694	1.9
93.07014	2.9
95.04942	14.9
95.08573	2.9
97.02859	6.0
97.06516	6.7
99.04453	2.7
103.05440	5.4
105.06996	9.3
107.04948	13.2
107.08545	1.7
109.02857	2.9
109.06506	5.2
109.10163	1.4
111.04373	1.7
115.05440	6.1
117.06997	1.7
119.04920	37.8
119.08582	2.1
121.02802	4.3
121.06495	7.8
121.10123	2.0
122.03627	6.3
123.04387	2.8
123.08018	4.6
125.05946	1.2
127.03892	2.6
128.06187	1.6
129.06982	16.9
131.04884	10.0
131.08530	7.1
133.02849	5.5
133.06497	5.6
135.04419	5.7
135.07996	2.6
137.02330	34.2
137.03389	2.2
137.05957	100.0
141.06950	4.7
143.08551	1.7
145.06477	5.6
146.07198	4.5
147.04388	77.9
147.08017	2.6
148.05119	2.0
149.02319	27.5
149.05957	9.9
149.09572	2.7
151.03928	2.6
151.06377	1.7
151.07523	41.2
151.08578	1.4
153.06976	1.6
157.06502	8.7
158.07222	2.6
159.08006	6.4
160.05197	1.9
161.05956	90.9
161.09560	19.7
162.06683	5.3
163.03874	10.5
163.07521	9.7
165.07016	5.6
165.09152	1.7
167.08548	6.1
168.61638	1.3
169.04958	7.1
173.02283	1.7
173.05869	1.4
174.06726	10.2
175.07526	25.7
177.09053	7.1
178.07735	1.9
179.07010	1.8
179.08464	1.4
181.06398	2.5
187.07484	1.7
189.09064	46.9
191.08586	5.2
191.10605	1.3
193.06459	2.2
193.10080	2.1
194.07213	2.4
195.08049	14.7
195.10110	7.2
197.05885	1.6
197.09489	1.8
199.07587	1.5
201.09073	2.4
203.07011	4.8
205.06477	2.4
207.08173	2.2
207.10107	25.6
208.08647	1.7
209.05994	1.7
210.06715	2.5
211.07515	7.4
213.09077	2.2
215.07014	2.2
219.06352	2.1
219.08070	10.2
219.10060	48.7
219.12094	2.2
221.05901	5.6
221.09645	2.7
222.06744	2.7
223.07549	7.2
223.11076	1.9
224.08174	1.5
225.05388	1.8
225.09077	9.8
227.07088	1.4
227.10661	5.1
233.09702	1.6
234.06656	1.9
235.07495	2.8
236.08141	2.5
237.09077	11.9
239.06943	7.6
239.10689	1.7
240.07761	5.4
241.08572	4.5
247.07549	7.8
248.08296	2.0
249.09087	2.6
251.06915	7.1
251.10661	7.5
252.07718	2.1
253.08533	18.4
253.12212	4.7
255.06474	6.6
255.10034	9.4
259.09634	2.9
264.07819	1.5
265.08530	14.6
266.09210	1.4
267.06274	1.3
267.10089	7.8
269.08075	5.2
269.11673	1.5
270.08832	5.4
271.05881	18.8
273.18289	2.2
277.08328	2.6
279.10071	9.2
281.08185	1.4
283.09607	6.7
285.11188	8.9
287.12802	5.0
291.12332	8.1
291.19504	6.9
293.11655	1.5
295.09583	2.3
296.10168	2.0
297.11191	23.3
299.12799	1.7
309.11221	5.3
311.12643	9.4
313.14325	5.1
315.12082	2.3
323.12735	1.2
327.12140	1.4
329.13779	27.4
331.15424	11.0
337.14267	5.4
341.14053	1.5
355.15262	15.9
367.15219	6.9
432.93503	1.2
439.09882	4.9
461.19354	4.6
479.20639	9.7
491.20468	2.4
509.21545	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	573.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33055	1.7
55.01858	3.0
55.05516	2.2
57.03429	3.0
57.36445	1.6
59.01053	1.4
67.05493	3.7
68.99780	3.4
69.03419	4.1
69.07050	7.5
71.04975	2.1
79.05476	7.3
81.03388	11.4
81.07033	8.9
81.36580	1.6
83.04960	2.0
83.08615	2.0
83.70491	1.5
84.08743	1.5
85.02894	8.3
85.06494	2.6
87.00776	2.9
89.03895	9.6
91.05455	4.0
93.07016	2.9
95.04930	2.0
95.08572	7.5
97.02872	8.4
97.06518	29.3
98.06856	3.4
99.04439	1.8
101.77559	1.9
103.05475	2.1
105.07005	4.1
106.07383	1.7
107.04948	3.8
107.08566	3.5
108.84966	1.8
109.02827	2.1
109.10089	1.8
111.00757	2.2
117.03388	14.1
119.04915	3.1
119.08562	2.5
122.03625	3.0
124.07549	2.2
127.03914	2.8
129.07004	1.9
131.04898	4.2
133.06514	1.8
133.10114	2.3
135.04407	29.9
137.02341	2.8
137.05965	70.8
138.06279	9.7
145.02832	19.4
147.04413	18.3
147.11649	3.3
149.85966	1.8
151.03912	3.0
153.01834	33.6
159.04309	2.3
161.05904	3.5
162.06691	2.7
163.03886	100.0
164.04140	4.1
164.20543	1.8
167.06908	2.1
173.02306	8.9
174.02704	3.0
175.03870	11.1
175.07501	4.3
187.03876	11.7
187.07556	1.9
203.03375	9.5
205.08452	2.4
215.03412	8.2
215.06943	12.6
216.07448	3.3
227.03409	2.7
229.01347	2.2
229.04852	2.3
231.02957	2.0
243.02896	10.6
243.06496	2.8
245.04433	7.0
253.04980	15.2
259.02524	1.9
259.09644	33.3
260.10004	8.8
271.02341	72.4
271.05478	3.6
273.03894	17.4
281.04410	10.6
283.05878	2.7
285.04080	2.1
289.03406	28.1
291.04913	7.3
295.05981	2.4
297.03833	3.3
299.05432	15.7
309.03946	35.6
323.05362	7.9
349.03391	7.3
351.05069	2.4
377.02866	21.5
393.22952	1.9
406.17310	4.0
407.07578	16.8
409.05997	2.1
419.03897	2.8
437.04953	80.8
445.53851	2.2
573.09796	10.7
573.26373	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
64.33748	1.1
67.01842	1.6
68.99778	7.4
69.03413	2.6
79.05459	1.7
89.03912	12.1
95.04980	1.2
97.02846	2.5
97.06524	4.6
107.04950	4.7
107.95283	1.1
111.00784	1.5
114.38148	1.1
117.03354	14.2
119.04875	1.2
126.28290	1.0
134.70691	1.2
135.04405	25.0
145.02803	19.0
147.04422	1.8
153.01808	100.0
155.04846	1.3
163.03879	63.3
171.02869	1.4
173.05919	1.1
183.04573	1.3
187.03918	6.2
189.05475	5.6
199.03961	1.7
201.05428	4.8
207.02892	2.4
211.03877	2.3
213.01823	4.4
213.05429	2.0
215.03307	10.3
217.05099	4.4
227.03430	1.8
229.04948	5.9
239.03522	1.9
241.04932	6.9
243.02867	9.1
253.04980	4.8
255.02797	10.4
257.04410	2.7
258.80380	1.2
259.05978	7.2
259.09512	1.6
261.03751	2.4
261.76190	1.1
267.02914	4.7
269.04388	1.2
281.04620	1.4
283.02423	5.6
285.03894	67.0
288.36462	1.3
294.05154	1.3
297.03870	11.4
298.04709	2.1
299.05530	7.0
303.04922	28.3
309.03879	4.9
311.01880	14.9
323.05463	4.6
327.04932	33.9
329.02814	17.7
353.02829	26.5
367.04617	1.3
377.02917	5.6
395.03934	2.2
411.07114	11.8
421.09079	31.4
437.04956	44.6
447.06973	12.1
455.05750	8.0
463.06464	1.4
573.10138	65.4
574.10095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79445	1.4
53.03928	1.3
55.01861	1.8
55.05502	1.7
57.03413	1.8
58.26600	1.4
67.01859	1.4
67.05476	6.2
67.67590	1.3
68.99767	3.7
69.03419	8.0
69.07045	8.1
79.05463	8.2
81.03407	11.8
81.07026	7.2
83.04976	1.8
85.02882	3.4
89.03903	9.0
91.05471	3.7
92.93297	1.5
93.07020	2.7
95.04968	2.5
95.08591	2.8
97.02873	3.4
97.06503	24.5
98.06856	1.9
99.04428	2.0
103.05464	2.2
105.07008	2.8
107.08587	2.7
109.02817	2.6
109.06480	1.8
117.03381	11.7
119.04887	2.0
119.08551	1.6
121.10148	1.8
127.03902	3.1
129.07014	2.0
131.04906	3.1
131.08485	2.1
133.06467	1.9
135.04391	35.1
137.02310	3.8
137.05960	59.9
138.06279	11.0
145.02859	15.9
147.04366	14.1
151.03880	1.8
153.01811	36.6
157.06461	2.5
161.02312	1.9
162.06670	2.2
163.03871	100.0
164.04187	6.9
165.01910	1.6
173.02313	6.4
175.03885	9.9
175.07487	7.1
177.05452	3.2
187.03795	12.3
201.05412	2.0
203.03371	10.7
205.08589	2.1
215.03358	10.1
215.06938	11.3
216.07292	2.3
227.03372	8.3
229.01460	2.5
229.04871	2.1
231.02837	7.2
243.02855	3.5
243.06429	2.0
245.04398	7.7
247.02287	3.4
253.04927	16.3
255.06519	1.8
259.09561	21.3
260.09955	9.9
267.10431	1.6
269.04367	1.8
271.02344	77.8
271.05557	5.4
273.03909	16.2
276.53336	1.7
281.04385	9.1
285.04004	3.4
289.03329	26.2
295.05920	2.6
297.03809	3.4
299.05457	11.8
309.03888	32.3
321.03860	2.0
323.05386	7.4
349.03418	9.1
353.02588	1.9
365.10135	2.1
377.02881	17.6
391.15277	2.1
406.17413	3.6
407.07544	13.2
421.14737	2.6
422.14978	2.5
436.18472	2.9
437.05038	63.4
500.62283	1.8
532.54419	1.9
573.09851	9.0
573.18445	2.1
573.27136	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	573.1029
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
60.11261	0.4
63.95567	0.4
66.21094	0.5
67.01856	1.0
68.99779	1.1
69.03406	1.2
81.07055	0.6
83.32869	0.5
83.43671	0.5
93.07046	0.7
97.02856	1.0
111.00789	0.7
131.08559	0.7
135.04344	0.7
147.11737	0.5
147.76059	0.5
153.01811	100.0
154.96764	0.6
163.03862	2.7
171.02849	0.6
187.03859	0.7
189.05403	2.1
190.38234	0.5
201.05455	0.7
215.03566	0.8
217.04825	0.8
229.04996	2.7
257.04416	3.2
283.02280	0.7
285.03885	46.3
307.02652	0.6
311.01782	4.4
327.04834	2.1
353.02744	0.7
421.09122	24.4
437.04730	2.7
447.06915	0.6
573.10193	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	573.1027
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
50.14982	0.2
50.16002	0.2
53.87616	0.2
54.70634	0.2
55.05486	0.2
56.60252	0.2
67.01859	1.9
68.99757	1.2
69.03428	1.6
79.05452	0.2
83.01321	0.3
85.02900	0.3
88.98814	0.2
89.03824	0.2
91.05450	0.3
94.25610	0.2
97.02865	1.1
109.10008	0.3
111.00740	0.3
130.87196	0.2
135.04362	0.3
153.01813	100.0
154.02113	0.4
163.03893	1.6
171.02876	0.5
173.05980	0.4
184.07257	0.4
187.03786	0.4
189.05486	1.9
201.05501	1.4
211.03894	0.9
215.03410	0.5
217.04926	1.3
223.89372	0.3
224.00224	0.3
229.04938	1.2
239.03375	0.4
241.05008	0.4
243.03030	0.3
257.04398	2.2
261.12274	0.3
262.22879	0.2
267.02844	0.3
285.03888	47.5
286.78052	0.2
297.03937	0.4
303.04822	0.3
307.02551	0.2
311.01871	2.5
327.05051	1.1
353.02780	1.2
421.09109	24.2
422.09216	0.3
437.04919	2.6
455.06390	0.3
573.10199	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	572.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22417	1.4
51.47989	1.5
55.05510	3.4
57.07072	42.4
67.05468	2.1
69.07046	2.3
71.08622	34.5
73.06538	13.3
78.90351	2.0
79.05461	2.4
81.07053	2.8
83.08601	3.3
85.10173	29.1
87.04468	4.7
88.07521	1.9
89.06015	100.0
91.05454	2.2
92.51443	1.9
92.64142	2.0
105.07022	4.3
107.04829	1.8
109.10161	3.0
114.37196	1.8
117.09144	3.1
121.06482	2.2
133.08566	27.7
140.06529	2.3
161.11816	2.1
168.44002	2.0
177.11145	15.0
178.22870	2.0
179.11186	2.1
180.93913	2.3
221.13754	2.1
229.21646	9.8
273.24066	6.9
317.72604	2.0
412.37546	2.1
472.92227	2.4
555.41235	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	572.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.4
57.03429	5.7
61.02917	24.7
67.05488	68.1
69.07047	28.3
71.80460	4.0
72.73444	3.6
75.79271	4.7
79.05476	72.9
81.03394	6.5
81.07044	61.9
83.05009	5.3
85.02882	21.0
85.06533	6.1
86.87840	4.8
91.05460	96.4
93.07028	58.6
95.04955	6.9
95.08596	53.4
105.07012	69.0
107.08550	21.5
109.06532	5.1
109.10156	10.9
115.05474	7.3
117.06999	85.5
119.08580	50.0
121.10123	25.4
128.06145	7.4
129.07005	89.2
130.07803	6.3
131.08553	100.0
133.10136	28.5
135.08037	22.0
135.11739	7.4
141.07018	40.8
143.08566	64.1
145.10150	52.3
147.08041	5.8
147.11646	12.0
148.16335	5.0
149.09615	6.9
153.06964	6.5
155.08545	47.4
157.10123	40.1
159.11682	11.1
161.09608	10.3
161.13210	9.6
165.06932	6.0
167.08528	19.2
168.09433	5.1
169.10150	26.1
171.11679	39.1
173.13258	10.5
180.09387	7.3
181.10068	36.8
183.11656	24.9
185.13278	12.1
195.11702	22.8
197.13210	10.1
199.11107	9.4
199.14841	24.7
201.12735	7.0
209.13257	11.2
215.14362	5.7
223.14824	10.6
239.17940	6.9
241.15871	5.8
241.19469	9.5
265.19373	33.8
283.20526	46.1
301.21719	7.6
374.24039	6.4
375.25171	95.5
483.18015	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	572.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38651	0.7
53.00299	5.8
53.03926	1.4
55.01853	5.0
55.05506	29.2
57.03173	1.3
57.03429	22.0
57.07067	52.1
59.04985	1.9
67.05490	25.6
69.03424	1.8
69.07053	11.3
71.04984	2.1
71.08610	35.8
79.05468	11.5
79.87911	0.8
81.03407	5.1
81.07039	35.9
83.04956	3.6
83.08598	23.4
85.06512	1.0
85.10167	19.4
89.06017	3.8
91.05458	23.0
91.53262	0.9
92.09336	2.6
93.07021	19.8
95.04949	3.3
95.08583	31.5
97.02862	6.0
97.06489	3.9
97.10140	6.7
99.00185	1.7
99.00795	30.9
99.04366	0.9
103.05444	1.7
105.07017	22.2
107.04942	6.9
107.08573	9.4
109.02846	13.1
109.06512	4.2
109.10139	12.9
111.04384	1.5
111.08084	2.0
115.03929	3.5
117.06996	2.2
119.08571	8.9
120.84342	1.0
121.06502	11.1
123.04415	1.9
123.08053	1.0
123.11707	8.2
127.03892	6.3
128.06233	1.3
130.87144	0.8
131.08498	1.0
133.06474	2.2
133.08588	1.3
133.10106	46.0
135.11736	1.0
137.09592	1.3
139.07527	3.8
143.08542	8.0
145.06448	1.0
151.11182	12.4
161.09578	23.1
171.08049	4.1
174.88223	0.9
179.10664	12.0
189.09106	8.7
197.11674	2.2
207.10187	3.8
225.11205	9.0
239.23753	1.5
243.12189	3.8
257.24753	1.7
278.95367	1.1
281.13797	6.3
299.14832	93.9
313.27310	100.0
319.31189	1.0
537.37769	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09698	0.2
50.59739	0.2
51.02377	0.3
51.62139	0.2
52.28339	0.2
53.00341	0.2
53.03940	1.3
55.01864	3.1
55.05516	0.2
56.20352	0.2
57.03422	1.6
58.05785	0.2
61.02913	2.0
65.03941	0.3
65.92455	0.3
69.03414	7.2
71.04956	0.4
73.02896	1.3
75.39414	0.2
78.04688	0.2
79.05461	1.5
81.03395	2.8
81.13655	0.2
85.02885	12.6
87.04431	0.4
91.03909	0.3
91.05460	8.2
93.07029	3.6
95.04949	1.9
97.02869	7.2
99.04440	1.4
102.04649	0.6
103.03930	0.3
103.05444	5.7
105.03328	0.4
105.07016	7.5
106.04145	0.5
107.04936	8.8
107.08561	0.3
109.02821	1.9
109.06498	0.6
110.33154	0.3
110.50222	0.2
111.04409	1.6
112.64477	0.2
115.03908	0.5
115.04748	0.3
115.05437	2.5
117.03348	0.3
117.06997	1.2
119.04917	11.1
121.05578	0.6
121.06474	16.3
122.03618	1.8
123.04415	0.3
123.08024	0.4
125.05941	1.4
127.03862	3.6
129.06938	0.4
130.04095	1.9
131.04883	5.0
133.02826	10.0
133.06465	6.2
134.03612	1.3
135.04401	5.7
135.08012	1.1
137.05951	58.2
138.06288	0.5
141.06941	0.3
143.04906	1.1
143.05949	0.4
145.04964	1.0
145.06458	1.3
146.03610	0.5
147.04388	17.1
147.08041	1.7
149.05956	48.5
150.06747	7.5
151.03859	0.6
151.07532	3.7
153.05466	3.5
159.04425	1.4
160.05148	1.3
161.05945	100.0
162.06729	9.2
163.03839	0.4
163.07509	5.2
165.05434	1.9
165.06732	1.9
167.07022	2.5
169.06458	1.2
171.04361	0.3
173.05885	0.6
174.06667	0.6
175.07509	12.0
176.04608	0.4
177.05443	6.8
179.06999	15.0
179.08397	0.7
181.06387	0.5
182.07248	0.6
183.04329	0.3
187.06044	0.3
187.07558	1.7
187.65683	0.3
188.04616	1.8
189.05354	0.5
191.06985	6.2
191.08566	0.5
193.06485	3.1
193.08211	0.4
194.07204	0.6
195.06499	9.2
195.08073	0.6
197.05959	0.4
197.07993	0.4
197.09612	0.5
201.05428	1.3
201.09128	0.4
202.05737	0.7
203.06996	58.7
205.08578	1.7
207.08018	0.6
209.06190	0.4
209.08000	0.9
210.06737	2.1
211.07487	1.0
215.07016	3.0
217.08514	0.4
219.06357	0.4
221.05910	7.0
221.08052	25.0
222.06635	1.2
223.07463	0.3
224.08296	1.5
225.09074	7.5
227.07004	0.5
229.08611	2.1
231.06357	0.4
233.05882	0.5
233.08022	6.6
234.06496	0.5
235.07402	1.7
236.08243	0.3
237.09087	2.2
238.06128	1.9
239.07036	0.6
239.10635	1.1
245.08011	0.6
247.09569	0.5
249.08990	0.6
250.06296	0.4
251.06964	0.6
252.07704	0.7
253.08517	11.9
254.09079	0.3
255.06439	1.1
257.08044	1.9
263.09039	0.4
264.07736	0.4
265.08502	4.1
266.09116	0.6
267.10129	5.0
270.08759	1.3
275.09064	1.4
277.08524	1.7
279.09854	0.5
285.11148	27.7
292.07233	0.6
293.10046	1.5
294.08539	0.4
295.09464	2.0
297.11194	7.6
305.10049	0.6
307.09433	1.3
309.11053	2.6
311.11230	4.5
323.11029	1.8
325.10590	3.3
327.12201	22.5
328.12839	0.4
339.12082	2.3
345.13245	16.7
357.13315	2.9
493.31693	0.3
519.18158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01861	2.7
57.03415	1.7
58.94900	0.3
61.02909	2.3
62.82671	0.4
62.83001	0.4
65.03952	0.4
69.03418	5.7
71.04963	0.6
73.02911	0.7
79.05473	1.7
80.92150	0.4
81.02991	0.4
81.03383	3.2
83.01342	0.4
85.02888	9.9
91.05466	8.8
93.07023	3.0
94.04156	0.7
95.04962	1.6
97.02893	5.1
99.04422	0.8
100.80581	0.4
103.05460	5.0
105.03403	0.4
105.04498	0.4
105.07013	7.9
105.32107	0.4
107.04942	7.2
109.02869	0.7
109.06501	0.6
111.04449	0.5
115.03911	0.8
115.05432	1.8
117.24977	0.4
119.04917	10.2
121.06487	16.8
121.34380	0.4
122.03621	1.9
123.04395	0.5
124.05058	0.4
125.05972	0.9
127.03901	3.9
130.04126	2.2
131.04918	4.9
133.02827	9.5
133.06483	6.5
134.03600	0.5
135.04411	6.9
135.08014	0.7
137.05960	53.2
138.85905	0.4
143.04913	0.7
143.06004	0.5
145.04959	1.6
145.06487	0.9
146.03609	0.5
147.04395	15.2
147.08043	0.6
149.05963	46.0
150.06769	7.2
151.03905	0.5
151.07536	3.5
153.05457	4.2
157.06422	0.5
159.04356	0.7
160.05202	0.6
161.05956	100.0
162.06757	8.3
163.03868	0.7
163.07506	4.2
164.61581	0.4
165.05432	2.2
165.06911	1.3
167.07021	3.4
173.06003	0.7
174.06680	0.8
175.07518	11.5
177.05443	6.5
177.06834	0.6
179.07011	14.8
179.08464	0.9
187.07581	0.9
188.04628	1.5
191.07011	7.7
193.06464	2.6
194.07317	0.6
195.06497	8.7
195.08092	0.8
197.05937	0.8
199.07625	0.5
201.05415	1.5
202.05956	0.4
203.07005	59.4
205.06534	0.8
205.08424	1.3
207.08098	0.7
209.07881	0.6
210.06696	1.7
211.07538	0.7
215.06984	3.2
221.05962	6.2
221.08084	25.0
222.06653	0.9
224.08264	0.8
225.09081	6.1
227.06956	0.6
229.08533	1.8
233.05983	0.9
233.08058	6.4
235.07495	0.5
237.09070	1.7
238.06184	0.7
239.07085	0.5
239.10484	0.5
245.08095	0.9
250.06087	0.6
252.07698	1.4
253.08554	10.4
255.06534	0.6
257.08029	0.6
265.08557	3.4
266.09164	0.5
267.10080	4.7
269.03638	0.4
270.08887	0.7
275.09137	0.8
277.08524	0.8
285.11179	29.0
293.10208	2.3
295.09641	1.9
297.11172	7.5
307.09543	0.9
309.11127	2.9
311.11182	6.0
313.78162	0.4
323.11337	0.9
325.10574	3.4
327.12228	24.0
339.12140	2.6
345.13272	18.0
357.13306	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	570.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87245	2.5
55.05519	3.3
57.07067	68.2
60.52076	2.6
69.07051	11.5
71.08612	55.8
73.06541	3.6
81.06995	2.9
83.08585	3.4
85.10165	28.1
87.04420	4.6
89.06015	100.0
91.05485	3.2
97.10107	4.3
107.07081	2.6
109.77023	2.8
113.13253	3.8
133.08585	53.7
177.11177	22.1
271.26498	3.2
315.28864	4.9
326.35141	2.8
327.19803	2.6
371.22574	13.4
372.30396	3.0
553.42822	47.1
570.45239	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	571.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17161	3.9
53.00304	3.6
54.78128	3.6
54.81507	3.7
55.05507	70.4
57.03440	6.2
57.07066	12.5
59.05005	5.2
66.12382	4.2
67.05498	100.0
67.25784	4.3
69.07059	40.2
71.05005	5.0
71.08596	4.7
79.05477	79.3
81.03391	9.6
81.07043	90.1
83.04967	9.6
83.08600	39.9
85.10152	8.5
89.06030	22.4
91.05457	65.1
93.07020	82.8
95.04955	56.0
95.08584	72.0
97.06521	7.4
97.10118	8.3
105.07022	92.9
107.04955	12.6
107.08560	42.1
109.06521	12.1
109.10146	25.6
111.08020	5.6
113.09648	8.0
117.07027	35.3
119.08554	69.8
121.06480	7.2
121.10131	24.7
123.08019	7.1
123.11672	10.9
129.06969	8.5
131.08556	55.1
133.06476	8.0
133.10104	47.2
134.89632	5.6
135.11697	25.4
139.11127	5.2
139.72043	4.9
143.08562	19.9
145.10135	45.9
147.11693	31.9
149.09627	40.8
151.11200	6.7
155.08543	8.7
157.10109	22.0
159.11659	24.4
161.13234	9.1
163.11157	32.2
165.12724	21.2
169.10081	12.3
171.11697	8.9
177.11229	6.1
197.13312	6.4
217.96756	5.6
221.15346	7.4
223.13278	11.5
239.17888	7.2
257.18991	9.6
261.22192	6.8
275.20004	82.7
277.21655	38.0
279.23453	7.1
293.21146	30.2
318.63531	6.4
371.22592	6.1
535.40869	6.8
553.42358	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	570.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.4
55.05505	30.7
57.07045	3.6
67.05173	4.0
67.05492	36.7
69.07037	14.4
74.04542	2.9
78.28229	3.6
79.05481	29.8
81.03389	7.7
81.07043	36.8
83.04954	5.9
83.08594	20.3
87.42567	3.4
88.07632	3.7
89.06052	3.5
91.05470	33.2
93.07005	43.0
95.04932	46.3
95.08578	22.6
96.04542	3.3
97.06486	6.6
97.10155	13.7
105.07005	43.1
107.04939	4.3
107.08589	30.8
109.06499	5.6
109.10138	19.5
111.08048	5.1
117.06988	18.1
119.08588	33.2
120.48151	3.4
121.06467	6.0
121.10116	13.7
121.13039	3.5
123.08016	6.2
131.08554	17.0
133.10095	24.9
135.08028	7.1
135.11693	7.6
143.08566	5.8
145.10112	25.0
147.11740	6.2
149.05942	13.6
149.09625	30.3
157.10083	4.1
159.11668	14.2
163.11177	35.1
169.10083	4.4
173.13234	5.1
189.11211	5.0
211.13307	3.8
223.13214	16.5
229.19458	4.5
239.17963	4.6
256.26266	8.1
257.18973	6.1
275.19986	100.0
284.61526	4.2
293.21054	36.3
341.10034	5.4
419.91339	4.4
467.31403	6.9
471.14291	4.0
485.32434	5.1
570.33563	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	570.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	2.0
53.03939	4.6
55.01866	14.7
55.05502	4.3
56.11435	1.9
57.03429	5.0
57.67801	1.8
61.02901	2.3
63.67003	1.8
65.52054	2.1
66.66183	1.9
67.05497	19.4
69.03408	3.9
69.07056	49.7
79.05479	30.7
81.03418	14.4
81.07046	19.9
83.04963	5.2
91.05460	48.9
92.08728	3.7
92.11750	2.1
93.07030	15.5
95.04951	4.1
95.08614	5.3
97.06524	18.2
103.05513	3.4
105.07013	28.7
107.04947	23.7
107.08568	9.7
109.06498	3.7
109.10198	2.4
115.05438	9.2
117.07000	56.2
119.08562	28.1
121.06486	3.0
123.08043	4.7
125.09714	3.0
128.06219	4.0
129.06953	18.1
130.59323	2.2
131.08531	22.5
133.06483	4.0
133.10123	4.9
135.08023	14.8
141.06987	23.0
143.08569	12.6
145.06485	14.9
145.10080	15.6
147.08000	4.8
149.09647	18.1
155.08533	13.1
157.10133	9.5
159.07957	2.9
159.11688	3.8
161.09608	3.2
161.37103	2.1
163.07516	4.9
169.10086	16.6
177.12683	2.2
183.11664	11.5
185.13293	9.2
187.11176	16.8
197.13292	3.1
199.11342	2.7
201.12772	4.8
211.11330	3.3
211.28761	2.2
215.14325	4.0
229.12186	2.7
279.15790	3.1
281.19043	3.5
299.20047	3.4
307.19012	2.9
373.23672	100.0
400.95267	3.0
535.27802	2.9
544.37274	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	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01868	6.4
55.05508	20.3
56.52252	1.0
57.03431	2.4
57.07074	1.4
65.24774	0.9
67.05496	20.8
69.03415	6.2
69.07056	11.8
70.35728	1.0
71.01368	1.2
71.04971	1.5
79.05489	15.4
81.03400	11.7
81.07040	16.7
83.04972	2.0
83.08599	7.2
85.02896	6.1
85.06549	1.2
91.05475	11.6
93.07041	11.5
95.04941	2.2
95.08585	11.4
97.02895	10.8
97.06514	26.1
97.10156	5.9
99.04432	4.2
105.07032	8.1
106.06611	1.2
106.07378	1.0
107.04945	6.0
107.08592	4.6
109.02869	2.5
109.06516	1.5
109.10171	4.6
114.70660	1.0
115.05422	1.5
117.03395	1.2
117.06995	2.0
118.72646	0.9
119.08582	5.4
121.10130	5.4
121.87067	1.0
123.04425	4.1
123.08070	1.4
123.11662	1.1
125.05975	1.1
125.09584	2.2
125.32593	1.1
127.03905	4.0
128.30688	0.9
129.07022	5.4
131.08553	2.2
133.06494	1.3
133.10118	5.0
135.04416	4.0
135.11752	2.4
137.02393	4.0
137.06006	1.1
137.09538	1.0
139.05444	1.9
140.10509	1.0
141.04346	1.0
141.06999	5.1
143.08600	1.4
145.02853	1.8
145.06497	2.3
145.10164	4.9
147.04428	2.4
149.09612	2.0
152.06100	1.5
153.07025	7.5
155.04897	1.7
155.08617	2.2
157.06479	4.3
159.04335	1.7
159.11630	1.2
161.02354	5.5
161.05984	14.7
163.03889	29.6
163.11237	2.1
165.05457	2.4
165.07018	1.1
167.04927	1.6
167.08475	3.5
169.06488	6.4
171.04410	1.4
171.08057	4.0
173.02324	9.1
173.05954	91.0
173.09584	2.1
175.03889	7.5
175.07527	4.8
179.08609	2.6
181.06476	10.1
183.04361	1.7
183.07988	2.0
184.07397	1.7
185.05937	12.6
187.04005	1.5
187.07523	25.1
189.05452	8.5
191.03453	2.0
193.06487	1.5
193.10094	1.2
195.08051	5.7
197.05952	20.1
199.03928	2.0
199.07524	18.9
201.05438	46.3
201.09198	1.8
203.07014	2.2
207.02837	2.3
207.08067	2.0
209.06007	1.7
210.06776	1.4
211.07562	13.8
213.05472	30.4
213.09023	13.5
215.06989	29.5
217.04938	59.4
221.09633	1.1
221.13174	1.0
223.07567	1.4
224.08359	1.4
225.05424	16.5
225.09096	5.3
226.06226	5.6
227.07004	27.9
227.10547	1.9
229.04948	43.6
231.06606	1.3
235.07425	1.8
235.15118	1.2
239.07080	4.4
241.04964	2.3
241.08531	5.1
243.06451	10.7
249.12791	7.3
253.08511	2.5
257.15363	1.3
259.09613	21.0
263.14429	1.7
263.49304	1.3
265.12219	5.0
267.10092	1.0
267.11066	1.2
267.13724	12.6
268.19891	1.5
269.20706	1.1
277.10712	6.3
281.15350	7.0
283.05954	1.3
283.13217	1.4
285.15057	1.5
291.13544	7.6
293.11606	1.9
295.13321	1.2
307.13495	1.3
309.14874	6.8
311.12717	15.3
313.07321	1.3
313.14328	16.2
314.07431	2.0
319.13419	4.3
327.15701	10.2
329.13818	55.8
337.14304	22.6
347.14850	1.9
355.15359	100.0
356.15790	4.7
373.16415	61.0
380.08200	1.3
391.17419	1.7
421.14606	3.7
436.10037	1.3
455.44559	1.2
517.19952	1.6
535.21210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.6
53.03937	1.3
54.02226	0.6
55.01868	5.3
55.05507	14.8
57.03424	1.3
57.07055	0.6
59.65587	0.5
61.02915	2.4
65.00905	0.5
67.05489	10.3
69.03419	6.7
69.07056	6.8
71.01328	0.6
71.04980	2.9
71.69369	0.5
79.05476	9.6
81.03400	6.7
81.07040	13.2
83.04978	3.3
83.08186	0.6
83.08589	5.3
85.02892	12.9
91.05470	7.4
93.07021	7.6
95.04942	4.0
95.08575	5.5
96.98438	0.6
97.02853	6.6
97.06512	17.3
97.10146	3.1
103.05459	0.8
103.80439	0.6
105.06998	3.8
107.04932	3.7
107.08596	4.7
109.02834	1.0
109.06507	1.5
109.10147	3.1
111.04384	0.7
115.05421	1.5
117.07034	2.1
119.04868	0.7
119.08537	2.7
121.10122	3.9
123.04401	3.2
123.07985	0.6
123.11755	0.8
124.99976	0.6
127.03892	2.3
129.06975	5.3
131.04877	0.7
131.08554	4.6
133.06410	2.2
133.10107	1.5
135.04379	3.0
135.11642	2.4
137.05963	1.3
139.05367	0.8
141.06955	3.0
143.04915	0.8
143.08556	0.8
145.02809	2.4
145.04880	1.2
145.06490	2.7
145.10117	3.3
147.04404	2.4
149.05890	0.7
149.09573	1.0
153.06987	4.2
155.04913	0.8
155.08537	2.5
157.06479	3.2
159.04324	0.9
160.05130	0.6
161.02272	4.8
161.05937	15.2
162.90768	0.6
163.03867	16.0
163.11159	3.1
164.07088	1.0
165.05457	4.0
165.06946	1.2
167.04836	1.3
167.08505	1.3
169.06461	4.5
171.07974	2.6
173.02396	6.0
173.05949	100.0
173.09625	3.2
175.03912	3.5
175.07465	5.6
177.05421	1.5
179.08478	1.1
181.06439	10.9
181.10037	1.1
183.07954	1.3
185.05920	7.4
187.03877	1.5
187.07504	16.9
189.05423	7.3
189.09062	1.0
191.03322	1.3
191.10606	1.3
192.09291	0.8
193.06444	0.8
193.10107	1.1
195.08052	4.1
195.11821	0.6
197.05936	11.7
197.09659	0.9
198.06635	1.0
199.03841	1.2
199.07513	23.7
201.05429	39.9
203.07022	4.0
207.02759	0.7
207.08047	2.4
209.05942	2.7
211.07550	12.1
213.05457	17.3
213.09027	9.6
214.06029	0.8
215.06999	19.0
216.07358	0.8
217.04929	97.9
221.13081	0.9
223.07457	1.5
225.05452	9.6
225.09048	3.7
226.06268	2.9
227.06978	18.2
229.04927	11.7
229.08501	1.3
231.06407	1.4
235.07553	0.8
237.09090	1.1
239.06984	4.7
239.10561	1.0
241.08627	2.5
243.06474	6.1
247.11049	0.8
249.08986	1.3
249.12709	4.3
251.07022	1.0
253.08557	2.7
257.15253	0.8
259.09573	14.2
263.14191	0.8
265.12198	4.1
267.13754	11.0
277.10791	1.4
281.15353	3.1
283.13382	2.0
285.14789	3.5
287.22388	1.0
291.13745	5.4
293.11755	1.2
295.13223	2.5
299.16528	0.8
309.14648	5.1
311.12741	19.3
311.16223	1.1
313.11066	1.1
313.14304	18.9
319.12991	0.9
327.15784	4.8
329.13779	76.5
337.14285	21.1
347.14709	3.5
355.15344	61.2
356.15683	2.9
373.16394	49.4
421.14902	3.3
514.55121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01855	4.1
56.96563	0.8
65.03938	0.8
69.03411	4.0
71.04984	0.8
79.05477	2.2
81.03409	1.2
83.77234	0.9
85.02895	5.3
89.03892	1.7
91.05460	21.3
93.07019	2.2
95.04942	5.1
97.02861	3.4
102.04659	1.8
103.05458	12.9
105.03371	1.8
105.07005	12.7
105.52439	0.9
107.04935	2.3
107.79884	0.9
109.02838	1.7
109.06498	4.0
115.05430	3.9
116.77178	0.9
116.98624	1.0
117.03394	1.6
117.06909	1.1
119.04923	29.2
121.06512	5.2
122.03592	6.1
123.04401	5.4
124.05234	1.7
125.05886	1.1
127.03872	1.2
130.04135	10.0
130.85022	0.8
131.04921	10.9
133.02837	3.9
133.06467	10.4
133.10098	2.0
135.04419	6.7
135.11658	1.1
137.05960	100.0
143.04941	0.9
143.06003	1.0
145.02841	5.5
145.06465	9.5
147.04393	37.1
149.05939	11.4
150.06737	12.8
151.03952	1.7
151.07520	6.6
153.05443	1.7
158.03630	4.3
159.98206	1.0
160.05132	0.9
161.05936	18.5
162.06743	34.5
163.03839	7.9
163.07521	3.8
163.46146	0.9
165.05431	1.2
173.05966	14.6
175.03909	1.6
175.07501	1.9
175.14812	1.7
177.05415	7.8
179.07025	8.0
180.07857	1.2
186.03033	2.0
193.04959	8.7
193.16052	1.1
195.06610	1.2
201.05434	33.7
203.07005	1.7
204.04216	7.4
205.06384	1.6
207.06485	5.7
207.08138	1.0
219.06436	21.6
231.06464	4.4
233.05910	1.9
234.06740	1.2
237.09122	3.9
249.07504	3.9
250.06209	1.1
251.06918	1.4
255.01582	0.8
262.06155	1.6
264.07770	1.2
265.08585	7.8
277.08673	1.7
278.05695	1.5
283.09732	1.1
292.07233	4.0
293.07968	6.8
297.11292	1.4
307.09579	5.7
309.11124	1.9
323.09091	18.8
325.10651	13.8
337.10504	5.2
343.11734	15.0
355.11707	15.6
373.12726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
54.02144	0.7
55.01863	3.3
59.23039	0.8
61.34893	0.7
63.26863	0.7
65.03944	0.6
69.03400	1.1
69.82298	0.8
70.21740	0.8
71.87152	0.7
77.87903	0.7
79.05470	1.9
81.03372	0.9
85.02895	3.5
86.34646	0.8
89.03915	1.3
91.04897	1.0
91.05463	30.0
93.07019	3.5
94.04200	0.8
95.04935	5.3
96.32549	0.7
97.02876	0.8
97.52071	0.8
98.69418	0.7
102.04672	3.3
103.05456	14.2
105.03367	3.2
105.07007	11.7
107.04926	3.4
109.06488	1.6
115.05418	4.5
117.03339	4.1
117.07004	3.4
119.04919	39.7
121.06474	7.2
122.03621	4.8
123.04423	4.0
124.05167	0.9
125.06029	0.9
130.04132	12.2
131.04913	11.6
133.02832	8.0
133.06490	12.5
135.04390	5.7
137.05959	100.0
143.04959	1.1
145.02832	8.7
145.06461	10.1
147.04399	47.3
149.05962	10.5
150.06767	14.9
151.07510	6.4
153.05473	3.8
158.03583	6.5
159.04352	1.1
160.05200	1.6
161.02303	1.2
161.05952	22.6
162.06734	46.4
163.03778	1.2
163.07532	4.0
165.05438	1.4
173.05959	23.1
175.03822	5.6
175.07547	1.5
177.05478	11.3
177.06880	1.6
178.06244	1.0
179.06987	9.7
184.15634	0.9
186.03116	4.2
187.03885	1.0
191.07036	3.0
193.04956	9.0
194.07285	1.0
195.06488	1.5
201.05444	87.6
203.06996	1.6
204.04149	5.7
205.06450	7.8
207.06519	4.1
207.08221	1.4
213.05470	3.5
219.06438	23.6
221.09380	1.1
222.06677	3.3
223.11018	0.9
231.06631	5.8
233.05986	6.1
234.06711	5.4
235.07387	1.2
237.09091	5.7
245.05611	0.9
249.09300	1.4
250.06221	5.1
251.07024	3.4
262.06244	1.7
263.06866	3.0
264.07748	1.3
265.08536	11.0
266.09198	1.2
267.06625	1.1
273.05539	1.2
277.08585	1.9
278.05667	1.6
279.06454	1.3
283.09644	2.0
292.07333	5.4
293.08066	9.7
294.08722	0.9
297.11157	1.6
305.07990	5.1
307.09476	11.0
310.08386	1.6
323.09033	22.3
325.10645	23.0
337.10696	7.2
343.11633	15.1
355.11703	21.9
585.99207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01863	0.9
55.02719	0.6
57.03418	1.0
61.02917	1.1
67.05449	1.1
69.03430	7.3
76.93211	0.8
77.64890	0.7
79.05455	0.7
81.03385	3.1
83.04936	0.7
85.02882	9.6
89.03873	1.2
91.05458	13.9
93.07017	1.3
95.04927	3.8
97.02876	4.5
99.04388	0.9
102.04652	1.1
103.05453	7.1
105.03389	1.5
105.07016	6.0
107.04938	1.2
107.08593	0.7
109.02878	1.6
109.06499	1.2
115.05433	3.7
117.03345	4.8
117.06982	1.6
119.04918	19.8
121.06512	5.7
122.03632	1.6
124.05170	1.0
127.03889	2.8
130.04114	4.6
131.04880	8.4
131.08629	1.0
133.02827	32.2
133.06473	5.7
135.04388	4.2
137.02325	1.6
137.05954	41.0
143.04887	1.7
145.02840	12.0
145.06433	6.0
147.04382	23.9
149.05971	11.8
150.06735	10.2
151.03883	1.1
151.07541	1.8
158.03603	6.3
160.05203	1.3
161.02321	3.2
161.05952	10.0
162.06728	14.1
163.03902	0.9
163.07530	3.3
165.05460	5.2
173.05948	23.0
175.03856	8.2
175.07552	1.8
177.05421	20.0
177.06937	1.2
179.06995	4.7
186.03088	5.3
189.06937	0.9
191.06985	3.5
193.04897	5.5
201.05432	100.0
203.06935	1.6
205.06467	5.5
213.05408	1.7
215.06969	1.3
217.06505	1.0
219.06436	19.2
222.06699	3.9
225.09016	1.5
231.06464	5.4
233.06001	6.2
234.06718	4.4
234.98824	1.2
237.09123	4.0
245.05962	1.0
247.07558	1.5
249.05301	1.1
249.09120	1.8
250.06174	5.3
251.06874	1.3
262.06134	2.8
264.07700	1.1
264.66736	1.0
265.08530	9.8
267.06421	1.0
277.04895	0.8
277.08463	3.9
278.05624	1.3
279.06433	1.0
279.10013	0.8
282.08951	0.8
283.09909	0.8
290.05719	1.2
292.07083	5.4
293.07858	9.3
295.09491	0.8
297.11121	1.4
305.08008	5.1
307.09613	9.4
310.08289	1.6
311.11255	2.8
313.10608	1.5
323.09064	5.9
325.10632	41.7
337.10544	9.1
343.11697	14.8
355.11768	13.3
487.15613	1.3
499.15503	1.0
505.16806	1.0
517.16785	1.3
535.17810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93740	0.4
51.34113	0.3
55.01875	0.6
57.07068	100.0
59.99097	7.4
69.03401	0.5
69.40440	0.5
85.02911	1.7
86.06052	11.2
94.04174	0.6
102.03764	1.9
114.78833	0.4
116.05298	21.4
122.06008	34.4
145.04283	4.3
164.07156	0.5
201.10541	33.1
224.05013	0.8
365.83362	0.4
370.07086	0.9
370.11197	7.6
414.39700	0.6
570.21484	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	570.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.4
55.01867	13.1
55.05498	2.8
57.03421	7.2
58.80471	1.8
59.99091	7.0
61.02892	7.3
68.99767	2.8
69.03074	2.3
69.03419	42.5
71.04965	7.1
73.02886	10.7
73.06527	9.8
81.03410	45.5
82.34778	1.5
83.01311	1.7
85.02890	100.0
85.70903	1.5
86.06041	8.7
87.00813	43.8
91.03943	2.6
92.08685	4.1
97.02862	38.3
97.06512	3.8
99.04424	23.3
101.99308	1.6
105.01852	31.5
106.06541	76.2
107.15102	1.4
109.02858	41.4
117.01837	3.4
127.03893	85.8
129.01801	7.0
132.04755	19.2
134.06044	2.1
145.04982	28.2
147.02815	2.3
159.02872	32.8
159.04211	2.3
163.03874	5.7
191.11763	1.9
203.98038	1.7
208.05399	3.9
215.06909	1.9
217.09921	3.4
231.04967	30.1
233.50931	1.9
249.05981	9.0
250.10048	2.8
259.09573	2.6
265.52625	1.7
336.78931	1.6
355.15125	1.9
380.10220	13.7
424.98889	1.8
465.15256	29.9
570.20917	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.3
54.57201	1.9
54.81160	2.0
55.01863	8.9
57.03428	4.6
60.06305	1.9
61.02909	15.7
61.76865	2.4
69.03423	34.3
70.68667	1.9
71.04965	2.8
77.33959	1.9
80.04987	16.9
81.03393	21.0
83.01340	3.2
84.02744	2.4
85.02893	94.6
87.04427	2.9
91.05463	8.8
95.04933	2.5
97.02867	35.2
99.04427	4.5
99.08046	2.7
101.97658	2.2
105.06999	3.5
107.04913	2.7
109.02859	10.5
109.06483	3.8
115.05455	5.3
117.90497	2.1
119.04890	8.8
121.06481	8.9
123.04381	4.5
127.03905	16.4
133.02815	4.0
133.06514	4.2
137.05963	100.0
143.04898	13.3
145.04912	5.5
146.03651	2.9
147.04369	4.9
147.08118	3.5
149.05980	15.7
151.03827	3.7
151.07521	4.3
153.06889	3.5
157.13411	2.2
160.05159	3.6
161.05952	39.8
162.06747	5.3
163.07460	9.0
165.06938	9.7
173.05989	4.2
175.07446	16.3
177.05486	5.0
179.08527	4.2
181.06491	13.6
186.96539	2.3
191.08536	4.3
193.06462	14.1
195.08116	2.6
201.05424	23.8
202.92026	2.1
203.07011	3.8
207.08080	4.9
210.07463	15.2
211.07878	11.9
213.09109	13.5
219.06320	2.5
219.08133	5.6
221.05899	23.4
222.06688	3.2
224.08229	3.0
225.09103	27.8
233.05872	3.7
234.06709	3.4
235.07500	5.3
236.08324	4.4
237.09036	5.6
238.06184	5.0
239.10622	10.7
241.08498	11.9
247.07475	5.1
249.08990	4.2
250.06340	2.8
251.10693	2.8
253.08524	66.4
255.10394	2.8
264.07843	3.5
265.08539	13.6
267.10141	10.1
270.08893	4.2
273.11069	2.5
277.08441	8.9
279.09985	8.7
281.08023	26.8
283.09708	3.2
284.10333	4.2
285.11096	30.1
292.07376	4.1
293.08078	8.7
295.09592	12.4
297.11072	4.1
299.12634	23.7
301.10651	5.6
305.08118	10.3
307.09433	16.7
310.11844	10.1
311.12637	5.0
313.10672	39.5
323.09088	13.9
325.10696	32.5
337.10626	12.0
339.12228	11.1
343.11725	67.5
355.11719	96.5
357.13324	11.9
367.86896	2.5
373.12769	40.2
409.85858	2.8
535.17755	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	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
57.03435	2.4
62.29974	2.0
67.05473	3.0
75.05886	2.5
79.05476	5.7
81.03424	3.5
81.07063	3.0
83.08591	3.0
84.23315	2.3
85.02879	4.0
86.30384	2.2
91.05493	2.8
95.08590	3.9
109.10148	2.7
193.85185	2.6
372.22760	2.5
396.31421	2.7
569.29285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.56319	0.7
63.73914	0.7
67.05493	0.9
69.03437	1.0
69.07066	1.3
79.05467	1.9
81.03416	1.5
81.07049	3.7
83.08661	0.7
85.02911	3.1
86.09666	5.7
87.10055	1.1
88.15321	0.8
93.07017	1.1
95.04966	1.1
95.08594	1.3
109.10133	1.1
119.08605	1.2
125.00003	4.2
159.11661	0.9
171.65822	0.8
172.31012	0.7
184.07332	14.5
185.04152	1.0
185.07664	1.1
265.36865	1.0
331.10004	4.0
332.09686	0.9
370.86179	1.0
387.16333	1.1
407.24234	3.1
441.21005	3.7
443.22510	1.0
499.21704	1.4
569.29279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03936	7.8
55.01857	9.7
55.05509	72.2
57.03425	2.8
57.07069	2.4
65.03911	2.4
67.05492	70.8
67.05846	3.1
69.03410	2.1
69.07059	32.7
76.10643	1.5
79.05479	77.2
81.03397	12.6
81.07042	69.8
83.04964	10.0
83.08605	45.1
85.06523	6.7
91.05464	91.5
93.07030	79.6
95.04952	50.5
95.08587	49.3
97.06537	13.0
97.10153	4.3
99.07951	1.7
100.00232	1.5
101.16427	2.0
102.78996	1.6
105.07020	97.6
107.04958	23.4
107.08586	56.5
109.06489	11.5
109.10143	19.4
111.08066	8.8
114.62804	1.8
117.07002	42.2
119.08568	74.0
121.06490	11.8
121.10130	33.2
123.08006	7.2
123.11715	3.1
125.09607	8.2
128.06197	3.6
129.06982	16.1
130.07851	1.8
131.08566	34.8
133.06458	2.4
133.10118	51.9
135.08078	8.3
135.11693	13.8
137.09584	7.9
141.06972	6.6
143.08566	14.6
145.06468	2.3
145.10120	43.0
147.08107	2.7
147.11687	31.5
149.09602	42.8
151.11092	2.3
154.07669	1.8
155.08531	12.1
157.10110	12.0
159.11662	25.3
161.09598	4.1
161.13240	13.8
163.11169	46.4
165.12708	2.8
165.32475	2.0
169.10114	9.0
171.11655	11.2
172.73608	1.8
173.09587	4.0
173.13190	12.7
175.11157	2.7
177.12708	2.6
183.11661	10.3
185.13229	2.3
197.13239	8.9
213.16275	2.4
223.13194	16.2
229.19525	7.7
239.17799	14.2
247.20580	2.1
257.18912	13.5
259.20575	8.5
275.20020	100.0
276.20630	2.2
277.21548	14.5
284.29465	6.8
285.29657	4.0
293.21048	25.3
423.32684	2.5
551.40247	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	569.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80810	1.2
53.03938	2.4
55.01854	7.7
55.05504	20.9
57.03419	1.3
59.04965	1.1
59.51026	1.4
67.05499	19.3
69.03432	10.5
69.07051	10.2
71.01296	1.4
71.04964	1.9
77.32593	1.4
79.05462	15.5
81.03407	16.7
81.07037	17.0
83.04956	2.7
83.08595	3.1
85.02888	9.5
85.06541	1.9
86.09683	1.4
89.03906	1.7
91.05474	14.7
93.07019	12.6
95.04953	2.9
95.08598	12.3
97.02866	6.7
97.06512	14.1
97.10146	6.6
99.04438	2.4
103.05455	2.3
105.07029	10.9
107.01290	2.0
107.04958	2.0
107.08569	7.1
109.02853	5.4
109.06483	2.2
109.10136	9.0
115.05434	2.7
117.06971	2.3
119.04909	2.0
119.08538	8.0
121.02830	10.2
121.10130	2.3
123.04417	1.6
123.08064	2.6
125.05972	2.3
127.03882	6.6
128.06264	1.6
129.06960	5.9
131.04887	1.8
131.08531	5.8
133.06415	2.6
133.10095	5.9
135.04358	2.9
137.02332	83.0
137.03404	9.1
141.06938	6.1
142.08600	2.7
143.04883	5.8
145.02852	2.1
145.06479	3.4
145.10132	2.6
147.04356	3.1
147.08029	1.4
149.09595	2.5
153.06946	5.8
155.04901	1.8
155.08531	1.8
157.06427	6.2
157.10126	2.1
161.02278	1.9
161.05991	17.5
162.05466	1.9
163.03889	17.7
164.07028	10.6
165.01834	1.7
165.06912	1.7
167.08516	6.0
169.06442	9.3
171.04367	6.9
171.08023	2.2
173.05946	100.0
175.03893	7.6
175.07516	1.6
177.05432	2.0
179.08644	1.7
181.06444	12.1
182.08130	2.4
183.02792	5.9
183.04279	1.8
183.07957	2.5
184.05148	2.2
185.05963	12.0
187.03850	6.0
187.07466	15.7
189.05460	13.8
190.05917	2.9
190.07713	1.7
195.08052	5.9
197.05933	19.0
199.03847	6.0
199.07503	20.0
200.04631	3.3
201.05434	54.8
201.09259	1.7
207.07951	2.6
209.06059	2.2
210.06767	1.9
211.07535	15.5
212.04614	1.9
213.05452	37.6
213.09081	9.0
214.08641	5.7
215.03201	1.6
215.07002	18.6
216.07231	1.6
217.02998	2.9
217.04932	60.4
221.09521	1.5
223.07555	3.0
225.05481	12.5
225.09126	7.0
226.06197	2.1
227.06987	21.0
229.04930	13.2
235.07556	1.5
239.06998	7.0
241.04849	2.3
241.08607	7.1
242.08948	2.2
243.06396	6.9
249.09041	2.3
249.12642	2.6
253.08560	3.2
255.06401	3.0
256.07233	5.3
259.09653	9.4
260.09952	2.6
265.12213	3.2
267.13843	11.7
268.13293	8.2
269.20975	1.6
271.05933	5.1
283.05981	30.9
284.06723	30.7
285.07486	1.6
285.14871	2.3
286.14346	8.9
291.13879	5.6
295.05902	15.5
297.07529	6.6
303.13266	8.8
304.15311	1.5
309.14816	10.7
311.12695	15.7
313.07001	81.5
313.14325	23.9
319.13290	2.1
323.09253	2.6
327.15842	7.5
329.13788	46.9
337.07089	10.1
337.14264	32.8
355.15369	61.2
373.16406	20.0
379.07959	6.5
397.09064	6.7
415.10223	19.9
433.11081	5.9
551.11676	7.0
569.12811	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	569.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
57.03433	3.6
62.55544	0.9
66.04722	0.8
69.03430	1.2
69.61037	0.8
79.05476	9.3
81.03397	3.2
81.07036	6.1
83.61648	0.9
85.02898	4.3
87.00825	1.9
91.05463	7.6
95.04980	0.9
97.02876	4.2
97.06512	15.2
104.04922	1.5
105.01830	1.0
108.08112	1.8
109.02876	2.0
117.05725	3.8
118.06535	10.1
124.07581	3.8
125.05972	30.2
125.06848	1.7
127.03933	3.7
131.08833	1.0
134.06015	3.8
136.07556	13.3
138.09125	4.7
140.06998	3.6
142.08623	38.4
144.08037	0.9
146.05975	8.9
152.07069	3.9
159.02849	1.0
162.05453	20.6
164.07040	100.0
166.04964	11.1
178.04971	27.0
180.06525	14.1
182.08092	36.7
215.76147	0.9
229.13284	1.2
231.14897	1.0
234.21349	1.1
242.10640	1.1
257.09262	3.7
257.12628	3.0
267.11313	3.5
275.13840	3.5
285.12286	31.7
287.10220	1.1
303.13348	48.3
321.11099	1.0
321.14478	8.2
346.34390	1.0
397.42453	1.2
456.91840	1.0
472.07095	1.0
523.57507	1.2
595.01544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	5.8
55.05503	15.9
57.03422	1.9
63.02313	0.6
65.03919	0.8
67.05488	14.4
68.99787	1.4
69.03410	6.8
69.07058	8.3
71.01331	1.7
71.04980	1.2
71.67234	0.7
79.01815	0.8
79.05473	12.0
81.03402	11.2
81.07040	13.0
83.04958	1.7
83.08614	3.7
85.02900	5.4
85.06490	0.9
91.05461	13.2
92.92271	0.6
93.07014	7.9
95.04944	4.6
95.08602	8.0
97.02852	5.3
97.06493	12.6
97.10123	3.7
103.05450	0.9
105.07020	5.9
105.98681	0.7
107.01328	1.5
107.04952	3.5
107.08565	6.1
109.02872	5.5
109.06491	1.8
109.10143	4.5
111.04419	0.8
115.05445	3.8
117.07011	4.5
119.04945	3.1
119.08550	3.4
121.02832	14.0
121.10120	1.7
123.04409	2.9
123.07989	1.3
125.02294	0.9
125.05973	6.1
125.09583	2.9
127.03881	4.2
129.06975	5.0
131.08568	1.7
133.02783	1.1
133.06500	1.8
133.10126	4.4
135.04390	3.4
137.02324	100.0
137.03389	9.6
137.09583	1.4
139.05449	1.4
141.06975	5.8
142.08633	1.9
143.04900	1.8
143.08559	1.9
145.02792	4.6
145.06511	5.3
145.10056	3.0
147.04355	1.9
147.11649	1.3
149.05943	1.1
149.09619	1.1
153.06940	6.2
155.04890	3.1
155.08559	3.0
157.06471	5.2
159.04367	1.2
159.07993	2.9
161.02298	1.5
161.05942	13.6
162.05478	4.2
163.03857	18.1
163.11188	1.1
164.07060	8.2
165.01836	3.6
165.06935	1.7
165.12657	1.0
167.08528	3.9
169.06480	6.6
171.02962	1.3
171.04437	3.9
171.07994	3.0
173.05948	86.9
175.03902	6.1
175.07512	3.3
177.05437	3.1
178.04962	1.1
179.08612	1.8
181.06450	8.6
182.08067	3.7
183.02844	3.4
183.04396	1.7
183.08015	1.8
184.05078	1.2
185.05905	8.1
187.03940	5.4
187.07501	15.6
189.05417	11.9
190.05925	1.3
191.03375	0.8
191.10632	1.1
193.06497	1.8
194.07230	0.8
195.08029	6.6
197.05916	17.3
197.09579	1.1
198.06940	1.0
199.03841	5.8
199.07513	17.3
200.04672	3.6
201.05432	45.5
201.09238	1.0
203.06981	3.1
207.08003	1.5
209.06021	3.9
209.09735	0.9
210.06717	1.6
211.07471	11.4
213.05435	30.9
213.08904	8.1
214.08525	5.9
215.03432	1.0
215.06972	17.0
216.07333	1.0
217.04904	52.3
221.06100	1.3
223.07487	3.9
225.05463	9.5
225.09093	3.2
226.06265	3.3
227.03519	1.0
227.07002	19.0
229.04881	13.7
231.06520	1.0
231.10010	1.0
235.07422	1.3
236.08212	0.9
237.09036	1.0
239.06885	5.5
239.10670	1.5
241.04903	1.6
241.08495	5.6
243.06490	6.6
249.12674	1.2
253.08548	1.8
255.06470	5.3
256.07227	8.0
257.04367	0.9
259.05804	1.0
259.09549	9.1
260.10031	1.8
263.06738	1.0
265.12076	1.6
267.06433	1.3
267.13684	8.5
268.13269	4.8
271.06110	1.6
274.19305	0.8
281.11432	0.8
281.15265	4.6
283.05939	42.9
283.12833	1.2
284.06735	28.6
285.07532	1.5
285.12173	4.0
285.14905	2.7
286.14310	6.6
291.13748	4.3
293.11838	1.1
295.05972	19.3
297.07416	9.0
303.13336	6.1
304.15451	1.5
305.08224	0.9
308.06662	1.2
309.07581	6.3
309.14685	7.6
311.05472	1.3
311.12805	13.9
313.06992	82.9
313.14279	20.9
319.13187	1.6
323.05740	1.3
323.08871	6.3
325.06900	2.9
327.15765	4.8
329.13757	38.7
333.07266	1.3
335.21899	0.9
337.07056	14.7
337.14221	26.7
343.08047	3.1
347.14896	1.5
351.08646	1.6
355.08563	1.4
355.15317	50.7
361.06958	3.8
367.08090	3.2
373.16351	17.6
379.08035	8.0
397.09033	9.4
415.10208	22.1
433.11115	4.9
533.10822	1.5
543.60583	0.9
551.11572	7.4
551.19769	1.7
569.04547	1.2
569.12805	24.7
569.21558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.4
56.10805	5.3
57.07062	9.3
59.05013	5.3
67.05499	11.9
68.98177	5.8
69.07059	7.4
70.64001	6.4
79.05469	24.9
81.07045	31.8
83.08589	5.3
91.05470	54.7
93.07044	58.5
95.04962	41.8
95.08588	14.1
105.07013	100.0
107.08591	43.5
109.06549	6.7
109.10159	11.8
111.86555	5.5
117.06973	44.5
119.08570	97.4
121.10102	30.3
123.08051	8.7
128.06194	6.5
130.07777	12.6
131.08539	57.0
133.10089	62.1
135.11659	8.6
142.07820	12.3
143.07567	6.5
143.08537	50.4
144.09283	10.7
145.10117	84.6
147.11641	11.7
149.52455	6.6
155.08549	23.3
156.09311	12.4
157.10110	59.3
159.11681	37.2
167.08667	6.2
169.10129	25.1
171.11722	34.5
173.13292	13.2
175.14847	7.1
181.10104	13.2
182.84372	5.9
183.11699	24.8
185.13237	21.4
189.99123	5.9
195.11623	8.8
197.13156	19.1
208.12430	8.0
209.13286	11.5
211.14793	7.6
255.70462	5.8
338.26013	35.2
379.87555	7.0
430.32520	6.4
476.36520	13.8
568.42560	35.8
568.55817	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64542	3.9
54.81520	4.8
55.05500	8.9
55.70127	4.3
56.06187	3.4
57.07066	18.5
64.16779	3.5
67.05503	10.2
69.07052	19.7
73.55653	4.0
76.80780	4.0
79.05479	26.0
80.17143	4.4
81.07035	29.1
82.21619	4.1
91.05453	40.5
93.07031	61.0
95.04955	51.5
95.08595	20.8
105.07014	91.9
107.08603	33.3
109.10130	8.9
115.05439	4.8
117.07018	24.8
119.08573	100.0
121.10123	21.2
123.08053	8.7
124.90702	4.5
128.06177	10.0
129.07022	23.9
131.08568	60.0
132.09332	6.9
133.10114	47.5
135.11710	9.5
141.07005	6.7
142.07758	16.7
143.08551	44.8
144.09369	7.5
145.10130	93.2
147.11679	18.4
149.09634	5.0
156.09351	23.7
157.10080	48.7
158.10866	4.2
159.11697	26.2
165.48203	4.3
169.10143	19.5
169.25360	4.6
171.11728	31.8
173.13237	20.6
179.08556	5.6
181.10092	21.6
182.10863	9.8
183.11662	21.7
184.12485	6.4
185.13280	21.9
187.14857	7.3
187.24821	4.7
192.09335	4.7
193.10110	6.5
194.10899	9.8
195.11737	21.1
196.12386	5.9
197.13272	22.1
209.13322	21.1
211.14748	6.2
221.13161	4.7
246.20204	4.5
338.25885	25.5
430.31918	6.8
476.36157	16.7
568.42828	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	568.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01870	12.7
55.05502	30.1
56.54337	1.7
67.05492	24.3
69.03415	3.7
69.07054	8.7
71.07054	1.7
79.05473	36.8
81.03404	3.5
81.07041	48.4
83.04987	7.9
83.08599	17.3
85.06543	1.9
88.27505	1.8
91.05451	24.4
93.07022	21.7
95.04957	22.1
95.08591	9.8
97.10164	22.5
99.00773	2.9
105.07018	16.8
105.38774	2.0
107.04951	3.7
107.08570	18.0
109.06504	6.6
109.10145	4.3
111.04409	7.9
111.08097	3.5
111.77365	1.7
117.07007	12.3
119.08575	26.5
121.06490	7.3
121.10114	7.8
123.08042	7.7
125.09621	13.9
129.06964	7.5
131.08542	11.9
131.34227	2.1
133.10121	11.5
135.08099	4.4
143.08566	3.5
145.10110	14.8
147.08015	12.9
149.09633	9.5
153.09091	1.9
153.12773	2.8
157.10030	2.0
159.11627	2.6
161.09608	4.3
163.11171	10.1
163.37085	1.8
165.09100	3.1
169.33180	1.9
171.11581	2.8
172.68573	2.3
175.11206	2.0
178.31068	1.7
181.12238	2.1
189.11208	8.1
191.10728	2.6
194.27554	1.9
227.12727	2.6
249.14868	2.0
255.08585	2.1
273.18423	20.8
291.19489	100.0
309.20761	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	568.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51318	0.6
51.88431	0.7
53.03940	5.7
55.01865	5.6
55.05511	9.7
57.03424	5.1
59.56343	0.8
61.02919	4.9
65.03937	1.2
67.05487	3.7
68.99786	2.1
69.03065	1.4
69.03419	28.0
69.07061	6.3
70.02943	4.6
71.04984	4.6
72.08144	2.1
73.02891	4.0
73.06554	10.1
79.05476	6.5
79.05886	1.0
81.03407	27.1
81.07042	1.9
81.33237	0.9
83.04962	3.7
83.08618	0.9
85.02895	40.7
85.06522	1.1
86.09702	1.8
87.00814	16.1
87.01954	1.3
87.04457	0.8
91.05455	2.0
93.07028	3.4
95.04997	1.9
95.08595	5.8
97.02879	17.4
97.06514	36.0
97.10169	1.4
99.04443	9.9
100.07601	100.0
103.03937	1.7
104.04976	1.2
105.01837	6.9
105.07026	2.1
107.04948	1.2
107.08579	3.3
108.04465	5.1
109.02868	18.7
109.10135	3.6
111.04430	1.6
112.30509	0.9
120.04446	60.5
121.10150	1.5
127.03901	27.4
129.01825	3.3
129.07002	1.0
133.02863	1.5
133.06520	1.0
135.04350	1.1
135.11649	1.3
136.03925	13.3
138.05481	10.3
145.04959	5.2
147.04430	4.4
151.11305	1.0
152.06200	0.8
155.08519	0.9
159.02879	8.2
159.04289	1.9
161.02414	6.9
161.03403	7.7
162.01851	0.9
162.05487	2.0
163.03857	17.4
163.05054	5.3
167.08557	1.5
171.04372	1.8
171.08012	1.1
173.02371	9.4
173.05989	4.7
175.03876	3.3
179.04547	4.7
184.05209	1.4
184.07413	1.6
185.05986	3.5
185.09578	1.1
187.03972	1.8
187.05881	1.4
189.01808	1.6
189.05421	1.8
193.04919	6.6
195.08049	5.7
195.16133	0.9
197.06102	1.4
198.06773	1.6
198.42839	0.9
199.03969	3.4
205.06226	1.0
206.05589	75.9
207.02853	23.2
212.04704	1.3
213.03799	1.2
213.09096	4.3
215.07025	19.7
217.04930	3.7
231.05058	1.9
241.08553	19.4
248.06563	1.6
248.07521	1.0
248.10252	21.9
259.09604	39.5
306.51569	1.0
311.12564	1.4
317.21011	1.1
320.15961	10.5
335.22250	6.0
353.23141	2.0
355.15411	7.0
379.08322	1.3
403.14050	1.6
421.14758	4.1
452.16513	2.0
454.10687	1.2
496.15549	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.5
53.03956	0.3
53.05135	0.2
54.82124	0.2
55.01867	2.4
55.05500	0.5
57.03428	1.3
67.05485	3.6
69.03413	1.8
69.07057	13.0
71.01343	0.3
79.05047	0.6
79.05478	10.7
81.03413	1.4
81.07008	0.3
83.04967	0.5
83.75134	0.3
85.02898	1.5
89.03901	1.9
91.05474	0.4
92.09368	0.5
93.07050	0.5
95.04955	1.5
97.02859	0.6
97.06511	86.5
105.07043	0.4
107.04937	0.7
109.02872	0.5
111.51723	0.3
115.60049	0.3
117.03357	4.3
127.03889	0.5
133.02794	1.6
134.03613	2.9
135.03366	0.3
135.04399	9.9
141.06915	0.4
145.02835	8.8
145.06401	0.3
157.71005	0.3
159.04390	4.6
161.02315	13.9
161.05937	0.4
162.03123	0.7
163.03876	67.4
164.04318	0.3
167.08429	0.3
169.06387	0.4
173.02313	25.3
177.05438	0.3
184.05200	0.3
184.07367	0.4
185.05927	1.6
187.03868	0.4
187.07510	1.4
189.05463	0.7
191.03473	0.5
195.07956	0.5
197.05919	1.1
199.03711	0.3
201.05429	0.3
213.09119	0.3
215.07008	38.1
241.08539	3.5
259.09610	100.0
260.10004	1.2
273.30945	0.3
311.12637	0.5
327.15921	0.4
337.14185	1.5
355.15298	3.8
357.34015	0.3
380.98135	0.3
403.13983	0.7
421.14862	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	566.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83519	2.9
52.10030	3.4
53.24176	3.1
53.39201	2.9
55.05507	20.6
56.38177	3.5
57.03428	18.0
57.07067	6.1
65.64567	3.5
67.05502	79.0
69.07060	35.8
79.05482	36.9
81.07038	100.0
83.04996	4.6
83.08624	15.8
84.17904	3.5
91.05471	25.5
93.07018	50.6
95.08581	45.1
97.06490	5.0
97.10158	4.8
98.01328	5.3
105.07009	5.8
107.08592	23.2
109.10147	20.2
111.08051	4.7
121.10133	24.4
128.20535	3.7
131.08540	6.9
133.10049	5.4
149.13277	10.0
195.13866	4.9
241.89299	4.2
269.10706	4.7
269.17416	41.5
337.27548	44.5
372.28119	4.6
399.41913	4.4
406.97424	5.3
531.40295	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74590	1.6
55.05501	2.7
55.71717	1.6
61.51744	1.8
67.05489	3.8
79.05466	2.2
81.07051	3.4
84.70607	1.9
87.60935	2.3
95.08566	2.7
101.46565	2.3
105.07079	2.3
109.10094	2.4
110.96308	1.9
114.37551	2.4
117.42953	2.4
203.05170	2.1
254.41284	2.2
478.67883	2.2
567.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4074
Annotation	Canthaxanthin
Peak:m/z	Relative Intensity
54.14517	1.9
57.07073	2.7
61.44686	2.3
68.13840	2.0
89.85411	2.2
107.27106	2.0
109.10203	3.5
126.45401	2.4
140.02618	2.3
157.65883	2.4
224.84158	2.4
253.14197	4.7
399.44009	2.1
424.81696	2.4
476.78452	2.3
565.40723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01865	0.4
55.05494	0.5
55.59386	0.2
57.03428	0.3
67.05486	2.5
69.03422	2.1
69.07052	0.5
71.05001	0.3
73.02902	0.3
77.68206	0.2
79.05456	1.7
81.03407	2.5
81.07022	1.3
83.04953	0.3
85.02888	3.8
86.09692	0.6
87.00793	1.6
87.87065	0.2
91.05464	1.1
94.06561	1.9
95.04938	0.5
95.08574	0.3
96.08096	1.4
97.02879	1.2
97.06508	1.0
104.10758	0.3
105.01846	0.4
105.03369	0.4
105.07007	1.6
106.06544	0.5
107.04932	0.5
109.02885	0.5
109.06483	1.2
111.08025	0.4
114.36941	0.2
115.05454	1.4
117.07001	14.5
119.08546	1.0
122.05996	2.1
125.64490	0.3
127.03896	1.3
128.06184	1.6
129.06981	1.3
131.08545	1.5
133.06487	1.0
134.05980	0.3
140.07036	5.1
143.08542	5.4
145.06477	5.2
155.08536	3.9
158.09610	1.7
159.08022	1.3
160.07510	0.5
163.03877	1.6
165.06985	1.0
167.08565	0.9
168.08086	0.3
169.06407	0.3
169.10120	0.9
170.09613	0.6
171.08017	8.1
171.09381	0.5
173.05963	5.1
180.07968	0.8
180.09328	1.4
181.10092	0.5
182.10936	0.3
184.07312	0.3
185.05994	0.4
186.09105	2.2
192.09282	1.0
195.11691	3.5
197.06012	0.3
197.09610	0.3
197.13345	2.7
198.09079	1.0
205.10071	1.3
207.10146	0.3
208.08899	0.3
212.14276	3.0
214.08604	80.3
215.08868	0.3
216.10129	0.3
220.07460	0.4
222.12732	2.1
223.11159	1.5
225.12683	1.0
226.08597	3.2
228.54424	0.3
235.09869	2.9
240.13776	5.3
250.12195	2.4
251.10638	0.3
253.10957	0.4
266.11829	0.3
268.13269	56.7
269.13605	0.4
272.16251	0.3
300.15900	100.0
301.16245	1.1
318.16943	22.0
333.19769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01854	0.8
55.02088	0.1
55.05497	0.2
55.33203	0.1
57.03410	0.5
58.38185	0.1
61.02902	0.7
61.04079	0.1
68.99766	0.5
69.03076	0.1
69.03417	3.1
71.04963	0.6
73.02893	0.6
79.05459	0.2
79.94666	0.1
81.03402	4.0
81.07024	0.3
83.01313	0.1
84.03786	0.1
85.02892	4.9
87.00809	3.5
87.48443	0.1
91.03914	0.1
91.05480	0.2
94.04168	0.8
97.02856	1.7
99.04446	0.9
105.01865	1.0
109.02859	2.2
109.06531	0.1
117.01835	0.5
122.03632	4.0
127.03900	2.1
129.01794	0.3
131.48972	0.1
134.82080	0.1
137.05952	100.0
138.06291	0.6
145.04933	0.6
147.02917	0.1
159.02870	1.4
165.05490	0.1
167.03398	0.3
173.05931	0.2
175.33188	0.1
217.05008	0.5
317.10135	23.1
318.10410	0.2
329.13736	0.3
409.23355	0.1
548.94971	0.2
554.93933	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66917	0.1
53.03936	0.8
54.81716	0.1
55.01875	0.8
57.03429	0.7
59.24685	0.1
61.02915	0.6
68.99763	0.5
69.03065	0.1
69.03414	2.8
71.04967	0.3
73.02895	0.7
76.24125	0.1
79.05464	0.4
81.02926	0.2
81.03391	4.4
81.07041	0.2
84.78165	0.1
85.02887	4.9
87.00806	2.8
91.03912	0.3
91.05443	0.5
94.04153	1.2
97.02863	2.2
99.04453	1.1
101.65658	0.1
105.01826	1.1
107.04938	0.1
108.08056	0.1
109.02859	2.2
109.06484	0.2
111.04476	0.1
117.01834	0.7
122.03619	3.8
127.02959	0.1
127.03886	2.6
129.01782	0.4
130.92085	0.1
132.86577	0.1
137.05951	100.0
138.06299	0.4
139.03830	0.1
144.05742	0.1
145.04953	0.7
159.02873	1.6
164.07031	0.1
167.03345	0.8
185.04552	0.1
193.05035	0.1
231.04973	0.1
290.91788	0.1
299.14020	0.1
315.08713	0.1
316.08954	0.2
317.10129	24.0
318.10687	0.2
359.10831	0.1
362.06821	0.1
425.12323	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29163	1.5
51.00085	1.5
53.03930	10.0
55.01861	8.0
55.05505	37.2
57.03432	25.3
57.07055	3.2
61.02913	18.8
62.23947	1.5
65.03923	3.0
67.05494	78.0
69.03405	12.3
69.06765	1.8
69.07062	29.8
71.04968	8.8
73.02936	6.5
79.05474	85.6
81.03412	17.4
81.07038	83.9
83.04976	13.2
83.08605	10.3
85.02887	19.3
85.06506	2.6
86.09676	1.9
87.67331	1.8
91.03960	3.9
91.05461	74.3
93.07024	100.0
95.04967	25.1
95.08591	45.2
97.02879	15.9
97.06518	15.7
97.10123	3.0
99.04455	1.8
99.08059	2.5
101.74722	1.6
103.05424	1.9
105.07015	76.8
107.04933	7.3
107.08587	52.8
109.02851	3.2
109.06476	4.0
109.10149	14.3
111.08081	4.5
111.22977	1.9
117.07013	26.8
117.36457	2.2
119.08560	55.2
121.06515	2.9
121.10098	21.0
122.23272	1.9
123.08076	3.9
123.11753	3.0
127.03881	8.1
128.06169	2.5
129.05464	3.4
129.06967	14.5
131.08563	35.4
133.10101	53.6
135.11696	23.1
141.06996	2.7
143.08537	12.8
145.10110	20.4
147.11673	33.6
149.09586	11.3
149.13277	15.9
157.10101	11.2
159.11662	24.8
161.13171	16.6
163.11108	3.9
171.11638	13.5
173.11700	2.6
173.13239	9.2
175.11205	2.2
175.14751	3.8
177.12691	4.2
184.07277	3.8
185.13193	4.1
187.14728	2.4
195.11771	1.9
199.14673	3.3
211.13390	1.9
229.14423	2.6
231.21017	2.2
232.10892	1.9
240.73947	2.2
241.19453	10.6
257.18964	2.2
259.20483	32.1
269.17432	28.5
275.20047	9.1
308.85382	2.0
321.39987	2.1
337.10202	2.3
349.23599	3.7
351.25308	39.6
403.24756	2.1
493.76395	1.9
499.02216	2.1
571.00568	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
57.49476	0.5
65.32038	0.5
65.35995	0.5
67.05486	1.3
68.45827	0.5
69.07041	0.9
70.98579	0.5
72.11031	0.6
79.05476	1.3
79.68042	0.6
81.07054	1.2
82.24622	0.6
91.05483	1.3
92.09352	1.2
93.07005	1.4
95.08575	0.8
105.07026	1.3
109.10185	0.8
131.08575	0.7
145.10088	0.6
161.44275	0.6
179.02342	0.6
183.29128	0.6
241.58298	0.7
250.75609	0.6
504.52393	0.7
512.60004	0.7
563.31726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85078	0.2
51.98026	0.2
55.01867	0.3
56.05017	0.4
58.99593	0.3
67.04237	5.4
69.03424	1.5
73.01120	0.3
74.00639	1.4
75.28961	0.2
75.92548	0.2
79.04191	0.3
81.03425	1.0
81.04713	0.2
85.02904	1.8
86.00640	1.0
87.00837	0.4
92.64594	0.3
97.02900	0.4
99.04469	0.3
100.02187	100.0
101.69979	0.2
102.05525	1.0
109.02869	1.4
110.06025	0.5
114.05534	1.0
119.93678	0.2
126.05502	0.3
127.03905	1.2
130.05003	1.2
132.01144	0.5
138.05405	0.4
145.04980	0.3
146.02699	0.3
156.06532	0.4
157.04289	3.1
158.02689	3.6
175.05356	2.2
180.93135	0.2
185.03839	0.6
193.80501	0.3
194.57613	0.2
203.04832	34.0
213.06905	4.1
222.07742	0.4
255.08060	0.9
271.62686	0.3
277.49298	0.3
299.91299	0.2
316.09552	2.7
365.83325	0.3
417.13568	0.6
461.12134	1.3
478.14792	1.6
500.26691	0.3
520.16187	2.1
564.14825	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01867	6.3
55.05509	34.6
55.05765	2.5
57.03429	22.0
57.07063	5.0
59.04980	1.4
61.02915	20.0
65.03926	1.3
67.05495	66.1
69.03414	9.7
69.06713	1.7
69.07059	32.9
71.04974	6.0
73.02901	5.4
75.17312	1.1
78.10069	1.2
79.05476	86.7
81.03401	10.8
81.07041	77.3
83.04974	11.6
83.08598	12.6
85.02900	17.1
85.06540	3.1
89.50058	1.1
89.75640	1.3
91.03941	6.1
91.05466	65.6
93.07030	100.0
95.04961	14.0
95.08591	42.8
97.02882	13.0
97.06517	11.1
97.10153	2.3
98.30930	1.1
99.04451	1.2
99.08092	2.6
104.11193	1.1
105.07018	59.4
107.04967	4.8
107.08585	48.9
109.06482	5.5
109.10165	14.8
111.08071	5.7
115.05491	1.5
117.07009	21.2
119.08578	48.9
121.06544	2.2
121.10127	30.7
123.08078	5.0
123.11691	2.7
127.03914	2.7
129.05437	1.6
129.07019	10.5
129.07802	1.3
131.08565	25.9
133.10114	43.4
135.08026	3.0
135.11667	23.4
137.09619	2.4
139.11183	1.5
141.06946	2.0
143.08521	10.5
145.10123	14.1
147.11681	24.9
149.09587	6.8
149.13232	14.9
157.10139	8.5
159.11656	15.6
161.13210	14.2
163.11185	4.7
163.14839	2.2
169.10178	1.9
171.11620	8.8
173.13239	8.2
175.14781	2.9
177.12697	2.1
185.13213	7.2
191.13902	1.4
195.13791	5.8
199.14789	3.0
199.66725	1.3
231.20992	2.3
241.19530	7.3
257.18863	1.6
259.20511	29.5
266.91827	1.3
269.17441	43.0
275.16946	1.2
275.20047	9.4
275.56363	1.2
277.21661	2.0
333.24332	2.7
349.23615	4.8
351.25256	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	563.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
89.11871	1.1
90.27502	0.8
92.56671	1.2
97.50481	1.1
100.02216	2.3
101.93056	1.1
115.05428	1.2
117.06962	1.1
118.06532	22.4
128.54462	1.0
130.06467	2.5
132.08078	7.1
142.06531	1.7
143.07286	2.2
144.08096	16.7
146.05995	88.6
147.04366	1.3
158.05998	1.3
159.09161	7.6
170.06003	7.6
175.08669	1.2
188.07037	100.0
189.07289	1.1
205.09691	22.1
208.59053	1.0
275.23465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2097
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
54.82023	0.4
57.98167	0.3
58.52293	0.4
64.55019	0.4
64.70840	0.4
65.75871	0.4
77.36211	0.4
92.09145	0.5
107.04932	1.0
110.16909	0.4
113.43465	0.4
127.03896	2.6
135.04372	1.7
139.03914	0.8
144.24492	0.5
159.04176	3.1
163.03983	0.6
201.03685	0.6
267.05927	0.4
285.24396	0.5
291.50787	0.4
337.12619	2.3
351.10553	0.5
351.30460	0.4
365.12006	2.4
366.12912	4.1
463.68210	0.4
563.20911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1549
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.25176	0.6
53.93114	0.6
55.01863	3.5
65.03932	0.8
68.99768	6.2
69.36540	0.7
79.05475	0.7
81.03393	0.7
81.06976	0.6
91.05459	5.1
92.64651	0.7
95.04959	2.9
101.08677	0.7
105.04507	0.7
105.06977	0.6
107.04942	100.0
109.02850	0.8
111.00793	3.1
111.04466	1.7
114.39659	0.7
115.05425	1.0
117.07013	0.8
119.04927	59.0
119.08545	0.7
121.02816	6.2
123.04404	31.7
123.05284	1.4
127.03909	4.8
129.07007	0.7
131.04930	0.7
133.06471	9.0
135.04395	3.0
137.02304	1.4
139.03883	37.2
145.06480	13.4
147.04393	44.4
149.02345	8.1
151.03893	12.5
153.06912	0.9
157.06448	4.9
161.05945	8.3
163.03922	9.6
165.05424	6.3
165.06879	0.7
167.03360	18.1
169.06453	1.6
171.04381	10.7
171.08157	0.9
175.03847	6.2
177.05470	2.9
179.03372	15.6
179.06938	0.7
181.06467	1.7
185.05951	6.3
187.03937	1.1
187.07545	4.0
189.05447	11.7
191.03354	17.7
193.05016	5.3
197.05948	1.5
199.07529	3.4
201.05449	3.1
203.03360	13.3
203.07086	0.9
205.05023	1.4
207.06474	2.5
213.05486	4.5
215.03439	2.8
215.06911	2.6
217.04996	1.2
227.06998	5.5
229.04886	6.4
231.06519	20.4
233.04420	5.6
239.07071	2.9
241.05081	0.9
243.06487	9.2
245.04442	7.6
245.08047	3.1
251.05261	2.7
255.06453	12.3
257.04431	15.6
257.07892	1.3
258.05167	1.0
259.06018	1.4
267.06451	7.3
269.04370	3.2
271.06125	1.0
273.07523	16.2
275.05457	9.3
285.07544	13.4
287.05438	25.8
291.08575	8.9
296.50305	0.7
299.05505	4.6
393.09659	13.6
394.58585	0.7
395.11548	1.0
409.08972	5.2
411.10736	4.3
427.10117	1.4
537.60901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56965	0.2
53.03945	2.1
55.01866	1.7
57.03423	1.3
57.46677	0.2
59.59567	0.2
61.02913	0.9
67.05507	0.2
68.99778	0.9
69.03421	6.3
69.07048	0.3
71.01330	0.3
71.04985	1.3
73.02900	1.5
74.90983	0.2
79.05510	0.2
81.03405	7.8
81.07016	0.3
84.25597	0.2
85.02895	7.7
85.06548	0.2
87.00813	4.9
88.17547	0.2
91.03944	0.3
91.05436	0.4
91.71577	0.2
92.08786	0.3
97.02869	3.5
97.06514	0.2
99.04444	2.1
105.01871	1.3
107.04852	0.2
107.08449	0.2
109.02869	5.0
117.01831	0.5
121.06471	0.3
123.00871	0.2
124.07577	1.3
127.03895	5.1
129.03329	0.4
133.10179	0.3
134.03625	2.7
135.04381	0.9
137.02292	1.2
138.03105	1.9
145.04951	0.4
147.04428	0.3
159.02855	2.3
161.02330	0.3
163.03883	2.8
166.02560	1.5
166.95403	0.2
167.03378	14.6
168.05762	0.2
175.03864	1.0
177.05382	0.3
184.03683	3.4
184.05194	0.4
185.05927	0.2
189.05423	0.4
193.04848	0.3
199.07529	1.1
211.07384	0.4
212.04636	0.4
216.07877	0.3
226.06161	0.4
227.06975	2.8
229.04826	0.4
233.08110	0.2
240.04099	1.7
243.06465	2.7
244.07301	1.1
254.05614	0.4
255.06480	8.5
257.04330	1.1
259.09610	3.8
268.03632	1.1
270.05203	0.4
271.06018	4.0
272.06796	2.2
282.05173	0.3
283.05981	7.6
285.03870	1.0
287.09464	0.4
290.10272	0.2
297.07364	0.3
299.02988	0.3
299.05478	10.0
300.06241	15.9
315.08588	100.0
316.08939	0.3
382.06973	0.2
443.13348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01859	1.3
57.03420	1.5
61.02908	1.2
61.03930	0.2
67.01889	0.3
68.99776	1.3
69.03415	7.0
71.04980	0.5
71.95309	0.2
73.02894	1.4
78.28574	0.2
81.02942	0.3
81.03402	6.6
85.02894	8.8
87.00815	4.3
91.05500	0.3
92.09225	0.4
94.93763	0.2
95.04954	0.4
97.02873	3.0
99.04414	1.9
103.03922	0.3
105.01857	1.3
109.02863	4.5
111.04382	0.2
117.01832	0.4
119.04898	0.5
120.05230	0.4
127.03902	5.2
128.05353	0.2
129.01735	0.3
129.03307	0.9
134.03619	2.5
134.95372	0.2
135.04424	0.6
137.02335	2.0
137.05969	0.4
138.03123	1.8
145.04984	1.3
147.04384	1.6
148.04715	0.4
155.03310	0.4
158.03627	0.4
159.02849	1.3
161.02264	0.4
163.03860	4.1
166.02547	1.8
167.03365	17.1
171.07930	0.3
175.03888	1.1
184.03665	3.4
184.05078	0.4
189.05431	0.5
193.05034	0.4
199.07578	0.4
212.04742	0.4
217.50919	0.2
226.06215	0.2
227.06973	3.1
229.04935	0.3
240.04227	1.8
242.05579	0.2
243.06407	2.8
244.07285	0.9
254.05643	1.2
255.06494	7.1
257.04370	1.4
259.09650	3.1
259.51218	0.2
267.06488	0.3
268.03592	0.9
270.05228	1.0
271.05914	3.7
272.06760	2.2
282.05130	0.5
283.05960	6.8
285.03967	0.5
285.07272	0.3
287.09195	0.5
297.07532	0.5
299.05457	9.4
300.02771	0.5
300.06210	16.1
301.06384	0.3
315.08569	100.0
316.08975	0.8
324.06241	0.3
339.08643	0.5
395.11212	0.6
425.12445	0.5
443.13141	0.4
563.15161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01859	15.2
55.05504	30.3
57.03425	14.4
61.02878	3.2
61.15539	2.3
67.05494	35.0
69.03414	15.2
69.07058	34.8
69.93578	2.3
71.05001	3.2
72.72448	2.5
75.47421	2.4
79.05486	41.0
81.03403	12.6
81.07034	32.8
82.52422	2.3
83.04958	31.0
83.08610	14.0
85.02896	6.3
85.06503	3.7
91.05455	24.3
93.07029	27.4
95.04924	13.5
95.08586	20.3
95.73470	2.4
97.02898	5.3
97.06516	16.5
97.10149	13.1
99.04448	4.3
105.07002	23.3
107.04951	13.4
107.08568	23.8
109.10117	19.6
111.04423	42.1
111.08061	21.1
117.07037	3.2
119.08546	23.6
121.06460	6.5
121.10122	23.6
123.08046	3.4
125.09605	12.9
129.07021	5.6
131.08557	11.4
133.06465	4.9
133.10106	5.2
135.08052	4.2
135.11691	17.7
137.09621	3.2
145.10109	19.1
147.08028	10.4
147.11736	4.9
149.09645	5.8
153.12711	23.9
155.08647	2.9
163.11150	39.0
167.70294	2.5
173.09657	4.8
181.12222	40.6
189.11159	5.5
191.10651	26.1
193.12279	3.0
207.03026	3.3
223.13249	15.3
227.12764	27.9
273.18503	11.0
283.15359	49.7
285.16873	4.0
291.19489	92.9
301.16354	16.4
315.13248	2.8
347.22180	4.5
365.23166	100.0
495.16129	3.0
509.27341	27.5
527.28094	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.1
53.03936	1.5
55.01861	1.1
57.03423	0.9
61.02900	0.7
64.52415	0.1
67.01843	0.2
68.99789	0.8
69.03416	6.1
71.01324	0.2
71.04961	0.6
73.02898	1.1
73.72620	0.1
75.68628	0.1
77.45767	0.1
81.03397	6.8
85.02892	5.9
85.03334	0.1
87.00812	4.5
89.03881	0.1
91.03929	0.3
95.01345	0.2
97.02871	3.3
99.04435	1.7
105.01874	1.2
109.02863	3.9
111.04383	0.1
117.01845	0.8
121.02808	0.1
121.06482	0.2
122.53668	0.1
123.04416	0.1
124.07588	0.2
125.02348	0.2
127.03889	4.0
129.01820	0.5
129.03331	0.5
134.03607	3.1
135.04419	0.2
137.02306	1.2
137.05977	0.5
138.03070	1.6
145.04919	0.6
147.02866	0.2
149.05956	0.3
151.03836	0.3
154.02608	0.2
155.03366	0.5
159.02855	1.8
161.02310	0.6
163.03868	2.5
166.02574	1.7
167.03365	15.3
169.06490	0.1
171.08000	0.1
175.03867	1.3
184.03651	3.1
184.05124	0.3
185.05983	0.1
189.05446	0.5
193.04939	0.5
195.32199	0.1
196.05235	0.1
197.05913	0.2
198.06755	0.2
199.07507	0.8
201.05428	0.2
211.07457	0.2
212.04668	0.5
213.05418	0.1
214.06323	0.1
215.07039	0.2
216.07791	0.2
217.04984	0.2
225.05345	0.1
226.06195	0.5
227.06978	3.0
229.04932	0.5
229.10593	0.1
231.04922	0.4
240.04143	2.0
241.08597	0.2
242.05687	0.5
243.06465	2.4
244.07291	1.3
253.04982	0.1
254.05746	0.6
255.06459	8.9
257.04395	1.2
259.09628	3.5
261.12476	0.1
268.03568	1.1
269.04169	0.2
269.08099	0.4
270.04984	0.9
271.05942	4.0
272.06711	2.4
272.35046	0.1
279.15726	0.1
282.05139	0.2
283.05957	6.5
285.03845	0.8
285.07495	0.5
287.09158	0.6
297.07483	0.2
299.05441	9.5
300.06226	16.8
315.08569	100.0
316.08823	0.9
333.57062	0.1
395.11359	0.2
413.12308	0.1
425.12329	0.2
443.13226	0.1
510.34204	0.1
533.73511	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.3
53.03931	1.1
55.01867	8.3
55.05506	29.2
57.03430	8.1
60.16692	0.5
60.32530	0.6
61.02909	3.2
66.11275	0.6
67.05145	0.9
67.05497	24.0
69.03415	10.0
69.07056	30.3
69.18674	0.7
71.04984	1.4
73.02901	1.2
79.05476	26.6
81.03400	16.9
81.07041	24.0
83.04969	5.3
83.08611	13.8
85.02904	4.0
91.03970	0.9
91.05463	18.6
91.05995	1.0
93.07027	21.0
95.04945	10.5
95.08590	8.8
97.02872	12.0
97.06514	4.3
97.10152	19.2
105.07011	12.9
107.04949	10.5
107.08582	15.9
109.06501	3.6
109.10138	8.1
111.04455	1.1
111.08056	3.3
115.05433	0.8
117.07001	8.4
119.04971	1.1
119.08553	14.4
121.06457	4.7
121.10134	5.7
123.08055	2.7
125.09591	11.9
128.06181	0.7
129.06998	3.3
131.08546	10.5
133.06490	3.5
133.10124	5.9
135.08017	4.9
135.11691	1.3
137.09595	2.6
142.07774	0.8
143.08585	4.6
145.10124	6.9
147.08032	8.1
147.11671	4.8
149.09602	1.6
149.13235	1.0
153.09175	1.0
156.09505	0.7
157.10117	3.4
159.08037	0.7
159.11679	1.6
161.09576	3.0
161.13249	0.8
162.10312	1.0
163.11208	1.4
165.09042	1.2
171.11609	1.3
173.09502	0.8
175.11166	3.6
177.12721	1.0
189.11206	4.8
193.12213	6.0
195.13809	0.9
203.10480	0.8
205.12207	1.0
211.13309	3.0
223.13266	25.9
227.12766	4.3
245.18869	0.8
249.14865	3.3
255.17276	1.0
267.15833	4.9
273.09888	0.7
273.18454	10.0
285.17029	7.9
290.57449	0.7
291.19495	97.6
347.22296	3.4
365.23181	100.0
366.23590	1.2
382.64264	0.9
477.28360	1.1
527.28723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41180	1.4
53.03946	2.0
55.01877	3.2
55.05513	13.9
57.03422	3.1
59.42933	1.3
61.02926	1.8
63.59832	1.3
67.05491	92.4
69.03412	8.6
69.07050	14.4
70.86303	1.5
71.04954	1.4
75.08559	1.4
79.05474	17.6
81.03424	3.4
81.07038	100.0
83.08627	3.3
85.02910	14.1
87.00835	3.9
91.05458	12.9
92.08574	3.4
93.07023	22.6
95.08581	74.1
97.02889	6.1
97.06522	2.8
105.01820	11.2
105.07026	11.6
107.08578	19.4
109.02840	2.4
109.10149	28.3
114.83356	1.6
117.07003	3.6
119.08591	6.5
121.10116	10.8
123.11687	8.0
127.03906	6.9
131.08562	10.7
133.10130	8.9
135.08101	2.6
135.11691	9.5
137.13245	4.0
145.10196	3.1
149.13228	1.9
151.60535	1.8
159.11647	3.1
173.13211	3.6
181.12314	2.2
195.13815	2.3
197.27228	1.6
231.04985	2.9
240.17004	1.9
243.21107	3.1
253.14319	9.0
261.22043	1.7
271.15186	2.1
277.45700	1.6
279.23199	28.1
343.06686	1.8
347.25632	1.8
365.23181	3.1
368.50967	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.0
54.19355	0.9
55.01864	7.0
55.05507	22.0
57.03427	6.9
59.04995	2.1
61.02919	1.8
64.59691	0.9
64.71291	1.0
66.45842	1.0
67.05492	20.6
67.11703	0.9
69.03418	10.1
69.07056	23.4
70.64492	1.0
71.04973	1.8
75.42983	1.1
79.05482	18.5
79.46562	1.1
81.03407	10.8
81.07047	15.3
81.36692	1.0
83.04976	2.8
83.08610	8.6
85.02914	5.0
86.79786	1.0
87.04452	1.0
91.05451	17.8
93.07019	17.1
95.04972	8.0
95.08596	7.1
97.02892	7.7
97.06488	1.0
97.10136	12.6
105.07041	14.4
107.04934	7.7
107.08556	9.8
108.05728	1.1
109.02854	1.2
109.10160	4.7
109.91068	1.0
115.96129	1.2
117.07023	7.4
119.08547	11.0
120.05679	1.2
121.06505	5.6
121.10155	2.2
123.08047	2.7
125.09618	9.6
127.03910	1.9
129.07050	2.2
130.07805	1.6
131.08551	7.5
133.06487	1.4
133.10120	4.4
135.08034	2.0
135.11690	1.5
143.08551	2.5
145.10126	6.6
147.08063	5.7
147.11729	1.6
149.13266	1.3
157.10133	2.5
159.11642	1.7
161.09596	2.1
171.11652	2.3
175.11221	2.3
189.11238	2.0
193.12129	2.5
215.61507	1.3
223.13272	15.4
227.12807	2.4
249.14902	2.6
250.82710	1.2
273.18427	12.4
285.16873	2.4
291.19507	100.0
347.22299	2.0
365.23148	60.9
435.23593	2.6
586.17249	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63573	1.4
52.65752	1.7
53.03932	3.3
54.02464	1.8
54.79055	1.6
55.01862	12.2
55.05512	20.4
57.03427	14.9
60.08146	4.3
61.02922	2.4
67.05493	70.4
69.03435	7.3
69.07050	18.5
71.04977	7.6
71.07343	1.8
72.61037	1.6
73.02885	2.4
78.89713	1.7
79.05476	43.6
80.72754	1.9
81.03407	8.9
81.07035	76.2
83.04982	14.2
83.08611	4.5
85.02882	9.8
85.06538	8.7
86.09685	31.5
87.10020	9.0
89.49683	1.7
91.03898	2.0
91.05453	60.3
93.07027	40.7
95.04948	13.1
95.08584	20.0
97.06524	7.7
103.05444	2.7
105.07014	58.2
107.04934	9.8
107.08578	48.5
109.06493	12.1
109.10138	77.1
109.10847	3.2
111.08096	2.1
117.07023	8.6
119.08547	16.1
121.06461	7.0
121.10162	8.2
123.08102	3.2
123.11678	11.7
124.99976	26.1
127.00394	2.4
128.06219	2.2
129.06990	2.0
131.08562	11.9
133.06454	4.8
133.10106	76.6
135.08037	8.2
143.08534	3.9
145.10091	3.3
147.08037	2.6
149.09595	7.5
151.11174	30.0
157.10042	2.1
159.11649	2.8
161.09618	4.6
169.12306	4.6
184.07318	53.7
185.07683	20.6
186.07726	7.2
211.89206	2.0
215.12730	2.5
234.47453	1.8
245.18878	3.0
253.14288	81.6
269.13763	2.3
271.15356	13.2
273.18478	13.4
291.19540	15.7
347.21741	2.7
365.23209	100.0
370.55341	2.2
444.27686	2.1
507.67584	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03931	4.2
54.53786	2.2
55.01869	15.0
55.05261	4.3
55.05507	72.2
57.03430	16.4
58.09351	2.7
59.04988	4.0
64.34022	2.7
64.47353	2.4
67.05497	99.7
69.03399	3.3
69.07069	31.8
69.35311	2.4
71.04975	5.0
72.86454	2.7
75.51043	2.5
79.05482	76.0
81.03397	16.5
81.06591	5.3
81.07046	100.0
82.77022	3.1
83.04969	18.9
83.08623	28.3
91.05470	63.0
93.07034	77.3
95.04944	18.7
95.08592	61.3
97.06523	10.8
97.10137	25.3
105.06451	3.8
105.07032	55.7
107.04951	5.0
107.08575	47.8
109.06507	5.2
109.10152	30.1
111.04437	11.6
111.08070	4.0
117.07001	34.0
119.08570	45.4
121.10138	24.3
123.08090	3.9
123.11716	5.0
125.09624	22.3
126.31493	3.1
129.06990	18.0
131.08549	39.7
133.10104	22.8
135.07965	4.2
135.11665	21.4
137.13239	3.1
141.06955	5.5
142.07724	3.8
143.08568	18.7
145.10121	39.5
147.08063	3.0
147.11682	16.7
149.13277	5.3
155.08591	11.6
157.10164	11.1
159.11696	18.6
159.75792	2.8
161.13269	4.2
163.11160	13.7
169.10085	6.6
171.11678	11.9
173.13222	6.8
175.14819	4.8
183.11757	4.6
185.13237	4.3
187.14838	3.6
195.11702	3.1
197.13263	3.3
227.12740	13.7
261.22012	5.5
268.74951	3.4
269.96759	2.6
277.67096	2.9
283.15393	15.8
299.23590	11.0
317.24579	5.3
335.25876	18.1
433.30963	5.5
451.32220	12.2
469.33084	11.3
510.69205	3.4
525.35596	20.6
535.96625	3.1
543.36786	94.7
561.37921	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83276	3.2
53.03925	4.2
54.00092	3.2
55.01868	6.2
55.05505	54.5
56.96888	3.2
57.03420	7.7
62.99007	2.8
67.05493	92.5
67.73875	2.9
69.07058	26.5
71.04973	4.0
79.05476	70.6
81.03400	12.5
81.07036	100.0
83.04970	19.5
83.08602	29.5
91.05459	49.0
92.09355	6.1
93.07027	57.5
95.04939	6.4
95.08592	50.9
96.98823	3.4
97.06507	6.3
97.10164	24.1
98.98436	7.4
105.07008	49.0
107.04953	7.5
107.08590	38.0
109.06499	16.5
109.10153	22.2
111.04401	4.3
111.08078	3.7
117.06998	16.1
119.08554	35.5
121.10119	19.9
122.60511	3.2
123.08066	4.3
123.11690	12.5
125.09618	16.4
129.06978	17.1
131.08525	28.0
133.06494	4.5
133.10117	19.3
135.08038	5.6
135.11702	17.5
143.08536	18.0
145.10083	25.9
147.11655	7.4
149.09584	5.4
149.13272	3.6
153.12733	3.1
155.08525	5.3
157.10088	15.0
159.11681	21.7
161.13222	5.0
163.11180	13.6
164.46721	3.2
169.10068	4.7
171.11658	5.3
173.13245	3.9
185.13354	5.4
189.11151	5.0
197.13258	4.4
199.14822	4.0
209.13324	5.6
227.12732	19.6
283.15356	4.5
299.23557	6.6
335.25949	13.3
365.89987	3.4
399.47214	3.3
445.33267	5.8
451.31796	6.5
469.32550	4.9
525.35962	7.4
543.36658	77.8
547.93750	4.1
551.47180	4.0
561.38062	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.0
55.05506	50.9
57.03424	15.4
57.07066	3.7
66.46577	3.0
67.05497	86.8
69.03407	3.7
69.07053	20.8
69.98490	3.7
79.05481	61.4
81.03416	16.7
81.07037	65.5
83.04971	16.1
83.08611	24.1
91.05463	57.3
91.47108	3.6
91.97099	3.8
92.64277	3.7
93.07029	60.8
95.04959	22.7
95.08599	45.9
97.10150	35.3
105.07023	39.2
106.74490	3.9
107.04935	5.7
107.08590	41.7
109.10141	27.0
111.04454	5.7
117.07008	29.2
119.04965	3.5
119.08575	34.5
121.06489	7.2
121.10151	27.2
123.08073	4.0
123.11718	5.0
125.09621	22.2
129.07002	15.2
131.08522	38.5
133.10109	21.5
135.08034	8.3
135.11700	22.2
137.09659	4.6
143.08528	14.2
145.10103	38.5
147.11681	20.8
153.12729	4.0
155.08583	6.7
157.10085	7.4
159.11684	16.5
161.13161	4.1
163.11209	6.8
169.10060	4.8
171.11667	7.2
173.13200	5.7
187.14783	5.1
189.11261	6.2
215.14346	4.0
227.12791	20.7
233.19032	4.0
245.03333	3.5
246.99367	3.7
261.21957	4.3
262.50317	3.4
283.15460	8.4
285.30148	3.9
299.23666	6.7
306.07632	4.3
335.25766	5.6
426.17386	4.1
451.31857	14.3
469.32913	6.1
525.35510	18.6
543.29022	5.9
543.36780	100.0
561.38275	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81675	0.2
55.66699	0.2
56.04999	0.2
60.07864	0.4
60.08154	10.2
67.05485	1.1
71.07026	0.3
71.07360	4.0
73.53886	0.2
79.05485	1.0
81.07034	1.3
85.02876	0.3
86.09692	49.2
91.05447	0.4
93.07042	0.3
98.98449	3.7
104.10735	4.5
105.07022	0.5
107.08535	0.3
109.06487	0.3
113.32700	0.3
116.38307	0.2
124.73650	0.3
124.99985	35.3
131.08562	0.3
133.10068	0.3
133.36597	0.2
139.83145	0.2
143.01024	0.5
184.07312	100.0
185.07495	0.3
204.43408	0.3
214.90439	0.3
277.21515	0.3
298.18765	0.3
299.58691	0.3
302.85895	0.3
372.77414	0.3
506.33658	0.4
524.30750	0.5
542.32410	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	560.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.8
57.03423	10.2
57.07072	53.7
59.05025	2.2
60.42634	1.9
63.55506	1.7
67.05493	89.8
69.07066	12.6
71.02495	1.7
71.04987	30.6
71.08613	28.4
79.05486	8.5
81.07042	31.5
83.04963	2.6
83.08614	15.0
85.06519	4.2
85.10170	16.9
89.91571	2.2
91.05486	15.0
93.07025	18.4
95.04911	2.7
95.08586	37.0
95.83828	2.3
97.10165	4.5
103.97212	1.9
107.08588	4.9
109.10146	81.3
111.08050	3.2
114.37755	2.1
119.08587	11.9
135.11702	10.3
137.09613	10.2
155.10710	3.4
173.11749	10.9
199.14717	2.2
213.42325	2.3
255.16113	2.4
287.18607	14.4
306.32678	2.3
313.27383	28.5
467.37302	100.0
525.41370	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	2.5
79.05484	2.2
81.07030	2.2
83.10183	0.9
91.05468	1.6
93.07055	1.7
95.04944	1.2
95.08577	1.9
102.27368	1.1
105.07033	4.1
107.08547	1.7
122.77354	1.2
156.44641	1.2
336.92545	1.2
384.27771	1.3
503.31577	1.3
561.30237	100.0
562.30786	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	561.3033
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
58.55320	0.9
60.88857	0.9
67.05485	2.3
68.74798	0.9
71.65591	1.0
75.84900	0.9
79.05482	2.2
80.31256	1.1
80.72892	0.9
81.07040	2.0
89.06031	1.0
91.05507	1.0
105.07025	8.0
197.80000	1.2
391.10922	1.1
419.64478	1.5
512.77454	1.1
561.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01857	13.5
55.05508	70.7
57.03437	22.0
57.07042	3.8
64.39394	3.0
64.94006	2.6
66.59404	2.6
67.05496	100.0
69.07063	25.3
71.04969	4.0
76.56365	2.9
79.05478	74.4
81.03389	17.6
81.07040	91.0
82.60566	3.0
83.04955	22.7
83.08606	37.7
85.02913	4.2
85.06561	4.7
91.05460	59.8
92.09349	6.6
93.07036	70.7
95.04968	27.0
95.08585	52.4
97.06521	4.4
97.10152	32.9
100.10310	4.2
105.07030	46.3
107.04955	6.9
107.08581	45.7
109.06517	6.8
109.10143	27.2
111.04402	7.7
111.08102	5.7
117.06998	35.1
119.08575	40.6
121.06463	4.4
121.10114	22.9
123.08091	5.2
123.11684	5.0
125.09673	24.4
129.06989	15.7
131.08545	40.8
133.10109	23.7
135.08070	4.6
135.11685	22.5
141.06978	5.1
142.07761	3.5
143.08533	17.3
145.10110	41.7
147.11655	19.8
149.13249	4.9
153.00365	3.2
153.12762	5.2
155.08519	7.1
157.10097	13.9
159.11681	18.5
161.13193	11.8
163.11169	15.2
167.46408	3.1
169.10056	5.4
171.11642	12.1
173.13231	15.3
181.12230	4.9
183.11665	6.7
185.13248	5.6
187.14755	4.8
189.11177	4.5
191.10574	3.9
197.13214	4.2
199.14690	3.1
225.16432	3.6
227.12764	17.5
261.22055	5.8
267.15952	4.2
269.22424	3.5
283.15329	13.2
299.23706	14.1
317.24829	5.0
324.45529	3.6
335.25684	16.3
359.09268	4.0
365.24982	3.4
433.30774	4.7
451.31918	6.3
469.33279	6.1
491.51376	3.2
525.35693	12.8
543.36694	97.2
561.38086	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	560.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01864	2.6
55.05506	31.4
55.09617	1.0
57.03429	2.6
57.07064	2.6
58.68184	0.9
61.02919	2.6
65.03912	4.1
67.05493	54.3
69.03412	11.7
69.07049	24.9
71.04980	5.9
73.02883	1.5
74.90226	1.2
79.05478	78.2
81.03411	6.9
81.07043	68.5
83.04962	6.2
83.08603	15.9
85.02893	31.0
85.06535	2.1
87.00812	16.4
88.62880	1.0
91.04884	1.5
91.05466	52.6
93.07027	100.0
95.04955	10.6
95.08592	47.9
97.02879	10.9
97.06521	5.0
97.10153	5.4
97.11654	1.2
99.04416	2.0
105.01860	15.7
105.04498	1.9
105.06496	1.0
105.07017	46.8
107.08584	52.2
108.23503	1.1
109.02879	7.9
109.06501	2.7
109.10139	21.0
111.08057	1.0
115.05439	1.2
117.07000	20.0
119.08562	21.8
121.10127	40.8
123.08053	1.8
123.11691	2.2
125.09578	1.3
127.03910	16.6
129.06960	13.2
131.08548	23.2
133.10114	72.3
135.11676	30.9
137.09601	1.9
139.11150	1.4
143.08536	9.6
145.04971	7.7
145.10081	8.3
147.11632	11.2
149.09607	2.0
149.13246	28.3
157.10170	5.4
157.99692	1.1
159.02884	4.8
159.11671	28.4
161.13246	6.7
163.14813	7.6
165.01895	1.9
171.11674	5.8
173.13225	18.0
175.14709	8.3
181.12303	1.5
183.11588	1.5
185.13239	6.8
193.15891	2.4
195.13742	1.2
199.14813	4.5
207.13957	1.6
213.03957	1.3
213.16420	2.4
217.15729	1.3
221.15292	2.2
231.04947	4.9
231.17406	1.3
235.17023	3.8
241.19463	10.0
249.06061	1.8
259.20554	15.0
277.21585	43.9
341.97571	1.3
434.90854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.86609	1.9
55.01862	3.3
55.05505	25.7
55.77842	1.7
57.03435	2.1
57.07062	3.2
58.08581	1.9
59.04988	15.2
60.05326	1.8
63.75633	1.6
66.49236	1.8
67.05492	40.5
69.03420	3.8
69.07052	23.7
71.04968	3.1
74.18907	1.9
77.55132	1.8
77.55612	1.8
79.05475	72.1
81.03379	3.2
81.07040	52.2
83.04931	2.6
83.08607	11.9
85.02886	13.0
87.00807	2.6
88.10732	1.9
91.05466	37.3
93.07024	100.0
95.04922	8.5
95.08589	33.9
97.02847	4.1
98.57978	2.4
105.01843	4.5
105.06997	25.4
107.08583	45.7
109.02834	3.0
109.10155	20.0
117.07001	12.7
119.08582	14.1
121.10125	31.4
123.11623	2.9
127.03886	6.9
129.06953	3.5
131.08553	13.1
133.10103	29.7
135.11664	32.7
143.08563	3.6
145.10114	8.9
147.11646	9.0
149.13248	14.9
151.61641	2.1
157.10168	2.2
159.11630	10.7
161.13177	4.2
171.11630	2.8
173.13229	7.7
184.07330	2.2
192.16617	2.1
199.14662	2.0
224.89406	2.0
235.16971	3.0
259.20474	3.1
277.21576	64.8
302.13074	1.9
342.30756	1.8
360.90930	2.9
480.50467	2.3
491.66422	2.5
499.55740	2.4
536.88641	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63107	3.7
53.03922	5.1
53.40902	3.3
54.81838	4.8
55.05502	33.2
57.03419	9.8
57.07066	5.3
60.01491	3.4
65.48849	3.7
67.05495	95.4
69.01978	3.2
69.07046	25.1
73.15571	3.3
79.05474	100.0
79.05898	5.5
81.03395	7.8
81.07038	91.7
83.04964	17.7
83.08588	7.6
85.06573	5.0
86.51853	3.8
86.73791	3.8
91.05458	80.8
93.07021	98.2
95.04954	25.9
95.08592	48.1
105.07026	53.0
107.08578	37.5
109.10136	21.8
110.10413	4.5
117.07023	16.5
119.08565	31.1
121.06487	3.9
121.10143	15.6
129.07007	16.7
131.08553	6.1
133.10159	16.2
135.11710	4.8
143.08528	17.4
145.10118	5.9
147.11693	25.2
161.13159	5.6
161.45671	3.8
171.11694	15.9
198.99210	3.9
207.13855	17.6
239.67633	5.6
281.14740	4.0
281.17401	34.0
335.25699	43.0
398.06790	4.6
459.65390	5.0
541.38788	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72574	2.2
53.03948	4.5
55.05513	34.3
57.03424	16.2
57.07069	3.2
64.70341	2.1
65.03947	3.9
67.05499	96.9
69.07056	22.0
75.15891	2.3
76.65791	2.7
79.05482	100.0
81.07047	67.3
83.04955	13.2
83.08605	6.2
89.05975	3.1
91.05473	56.9
93.06492	4.0
93.07035	75.4
93.07577	5.4
95.04955	20.0
95.08597	45.3
98.53142	2.9
105.07033	44.9
107.08591	24.7
107.17715	2.6
108.23878	3.1
109.06480	4.9
109.10142	16.6
111.08057	3.1
117.06996	11.1
119.08537	23.7
121.10114	15.5
128.06204	3.9
129.06946	6.1
131.08516	7.1
133.10110	13.2
142.32016	2.7
143.08565	5.2
145.10136	6.8
146.88548	3.0
147.11671	23.5
161.13261	3.3
171.11673	11.8
175.14691	3.1
207.13795	11.1
259.59067	2.9
261.22003	3.3
281.17407	16.2
335.25784	40.9
461.32947	4.5
541.38782	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
54.81639	2.4
55.05510	33.4
55.67157	2.3
57.03434	15.6
57.07059	2.0
63.17476	2.0
67.05496	84.2
69.07069	19.2
69.49890	2.4
71.08595	2.4
79.05053	3.6
79.05483	100.0
81.03387	10.4
81.07041	83.0
83.04966	12.8
83.08598	8.7
91.04895	3.0
91.05466	66.0
92.75304	2.1
93.07029	84.5
95.04956	25.9
95.08593	58.9
97.06532	3.2
97.10158	3.3
105.04472	2.8
105.07021	50.6
107.04926	4.7
107.08593	30.5
109.06516	3.7
109.10134	14.6
117.07005	8.3
119.08577	31.4
121.10112	13.8
129.06985	13.2
131.08540	11.2
133.10109	15.2
135.11690	5.3
143.08524	4.2
145.10075	13.3
147.11708	25.5
161.09685	2.5
161.13211	11.1
171.11703	12.7
173.13242	3.9
189.12704	4.0
207.13834	11.6
223.92970	2.3
252.53394	2.4
261.22162	2.5
267.04926	2.4
281.17560	26.7
335.25772	52.7
541.38892	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	17.6
55.05271	3.7
55.05509	61.0
57.03432	16.1
59.23811	3.4
59.42718	3.7
65.68693	3.6
67.05491	63.7
69.07040	24.1
79.05475	70.5
81.03394	19.1
81.07041	55.2
83.01324	6.5
83.04977	8.5
83.08603	30.2
85.02846	4.1
86.09689	4.8
91.05458	66.6
93.07026	68.4
95.04983	12.2
95.08582	46.8
97.06506	8.4
97.10160	37.3
99.90758	3.5
105.07024	77.8
107.04959	7.2
107.08562	33.4
109.06496	5.3
109.10136	24.0
117.06996	35.7
119.08565	40.6
121.06539	4.8
121.10123	16.9
123.08034	6.9
125.09621	24.3
128.06186	6.0
129.06979	32.5
131.08569	49.9
133.10112	28.8
135.08026	7.4
135.11658	19.9
143.08519	30.4
145.06453	6.4
145.10179	30.7
147.11699	9.3
153.12772	4.7
155.08592	6.9
157.10066	29.4
159.08070	4.2
159.11684	15.4
161.13257	6.0
163.11179	8.7
163.14903	4.2
167.08652	5.0
169.10078	9.0
171.07973	4.9
171.11691	25.8
173.13194	9.2
181.10126	5.5
183.11646	15.3
185.13162	8.9
189.11189	8.4
193.10129	6.1
195.11684	5.6
197.13190	6.5
227.12770	22.5
241.19525	5.2
257.19095	5.8
259.20486	18.2
283.15497	5.7
297.21948	5.3
315.22998	5.1
333.24026	5.4
449.29999	6.7
467.31375	5.5
485.32495	8.1
523.33929	7.8
541.35150	100.0
559.36096	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	559.243
Annotation	Scutebarbatine A
Peak:m/z	Relative Intensity
55.01866	0.5
55.05503	2.3
65.03915	0.6
67.05489	2.1
69.03407	1.0
70.99543	0.5
74.00630	0.9
76.03986	3.7
79.05452	1.6
80.05002	2.0
81.03403	0.4
81.07044	5.8
82.06575	0.6
83.06075	0.8
84.04485	9.0
85.02883	0.6
85.04004	4.2
87.02682	0.5
91.05450	0.7
92.01697	2.4
93.07010	1.0
94.06575	4.9
95.04935	0.5
95.07316	2.3
95.08584	4.7
96.08150	0.8
97.01094	2.2
99.02675	2.3
99.05566	2.1
101.04210	0.5
105.07027	0.6
107.08623	0.9
111.02654	1.1
112.02178	5.8
112.03940	0.8
112.07635	0.5
113.02884	1.9
113.03548	0.8
113.04153	0.5
122.06002	17.7
123.02624	0.6
123.06789	7.8
123.08025	2.0
124.07578	10.4
125.02927	0.6
126.01485	0.5
126.03709	3.5
128.05275	4.4
129.06577	0.8
130.05003	7.8
131.04471	4.3
135.04393	0.6
136.07568	0.7
137.02307	2.4
138.03714	19.2
139.03203	0.6
140.05327	0.5
142.03197	0.6
144.04739	2.9
145.06078	0.7
148.04982	0.5
148.31985	0.5
150.03712	0.7
150.09134	3.6
150.94815	0.5
151.04567	0.5
151.05685	1.1
153.06572	0.5
154.03255	0.7
156.04759	100.0
158.90387	0.5
160.00583	0.8
162.09071	0.5
163.03902	2.2
164.01677	0.7
164.10680	5.8
165.02371	1.0
167.07034	1.0
168.04787	3.1
168.07420	0.6
170.06328	0.8
177.03262	8.7
177.11433	0.9
178.03163	2.3
178.12317	0.8
180.04744	1.1
181.06116	1.9
182.06349	3.6
185.03772	6.5
188.10640	0.6
190.03122	0.7
191.03745	0.7
192.13863	2.0
195.06554	1.1
196.04167	0.9
196.07822	0.5
204.13786	3.1
205.14635	0.6
208.04263	2.8
210.09512	0.6
215.13031	1.1
222.09415	2.6
231.04306	10.0
232.13242	0.7
232.39676	0.5
236.16664	0.6
238.12628	5.2
248.10999	7.2
251.15117	7.2
252.15869	9.8
254.17410	2.1
266.12021	19.0
268.13489	1.8
274.12631	0.8
284.13095	97.8
285.13632	0.6
286.14664	1.2
288.06396	2.3
292.13470	3.7
302.12219	0.9
306.07544	0.6
309.16263	3.6
310.14642	17.9
320.13098	18.8
327.17264	0.9
337.15771	6.1
338.14145	11.8
355.16730	6.9
359.19659	0.7
375.17471	1.1
393.18134	0.7
430.19983	24.6
484.21133	0.8
541.23102	0.6
559.24054	7.0
559.31360	0.7
562.56000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79732	0.1
55.01839	0.2
55.05488	0.6
67.01818	0.8
67.05458	0.9
68.99757	1.0
69.03391	0.6
73.51791	0.2
79.05444	0.2
81.03372	0.3
81.07022	0.2
87.00753	0.2
91.05417	0.8
93.06995	0.2
95.08594	2.1
96.08903	0.3
97.02828	0.7
97.06496	0.2
97.79572	0.2
103.05434	0.2
105.07004	0.3
107.08537	0.2
117.06991	0.2
119.04911	2.7
119.08585	0.2
123.04390	0.9
125.09610	0.2
127.03819	0.2
130.31786	0.2
131.04855	0.7
131.08424	0.3
132.93427	0.1
135.04376	0.2
137.02296	0.7
141.03267	0.2
147.04387	7.2
148.04686	0.2
149.02287	0.9
149.05934	0.7
153.01811	30.1
154.02090	0.3
159.04388	0.2
159.11627	0.2
161.05896	0.2
163.03822	0.3
171.04262	0.2
171.31966	0.2
175.03873	5.1
178.66916	0.2
179.03406	1.3
187.03847	3.2
188.04161	0.2
191.06926	0.3
193.04749	0.2
199.03871	0.6
201.01747	0.3
203.03386	5.2
215.03354	4.4
227.03372	4.2
229.01305	2.5
234.49554	0.2
243.02832	3.9
245.04443	0.3
247.02269	1.5
261.03870	1.2
268.37143	0.2
271.02319	100.0
272.02573	0.7
275.19965	0.4
279.27438	0.2
286.04333	0.3
287.05426	2.7
289.03375	15.7
297.03729	0.2
301.22787	0.2
330.20355	0.2
349.06940	1.6
381.09619	1.4
391.08054	47.9
392.08450	0.3
407.11258	0.3
433.09116	0.2
438.05405	0.3
439.06259	0.4
544.23944	0.2
559.10553	0.3
559.27350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01850	0.3
55.05507	14.7
57.10839	0.1
65.03910	0.3
69.03403	1.0
73.02869	0.2
73.06539	7.5
81.03397	1.1
85.02876	1.0
87.00813	0.9
91.05458	0.6
97.02858	1.0
99.04400	0.2
105.01833	0.2
109.02853	0.6
116.47572	0.1
121.02861	3.3
121.03797	0.2
127.03918	0.6
129.06985	1.2
131.08537	1.2
137.02290	0.7
143.04887	0.2
145.02827	0.2
145.04999	0.2
149.02325	100.0
150.02698	0.2
157.06462	0.2
161.05948	2.8
163.03860	0.9
163.34009	0.2
167.03413	1.5
175.07521	11.1
177.96753	0.1
185.05956	0.6
193.47687	0.1
203.07001	9.3
221.08054	3.2
275.12729	4.3
293.13773	19.6
345.63455	0.2
406.48190	0.2
450.95197	0.2
488.23077	0.2
526.23010	0.2
576.74921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10470	0.3
59.65019	0.4
63.17020	0.5
64.26844	0.5
67.05484	1.1
69.03432	1.6
69.07072	0.5
72.71453	0.5
79.05463	0.9
81.07021	0.8
83.04957	0.5
85.02909	0.6
91.05460	1.8
91.55487	0.4
93.07039	0.6
95.08568	0.9
97.02878	1.8
97.06467	0.7
107.08584	0.6
119.04904	1.9
123.04411	0.7
127.03891	0.7
131.04897	0.5
133.06589	0.5
137.02364	1.0
145.04922	0.5
147.04399	7.2
153.00575	1.1
153.01810	32.3
157.09940	0.4
163.03934	0.7
175.03891	5.2
179.03386	2.2
187.03851	4.1
197.95316	0.5
203.03340	3.7
215.03395	4.0
227.03345	4.7
229.01259	0.7
243.00571	0.5
243.02902	4.6
247.02283	1.8
254.55663	0.5
261.03806	0.9
271.02322	100.0
282.44016	0.6
287.05499	3.9
289.03375	18.2
349.07153	0.8
381.09225	0.6
391.08047	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53087	0.1
55.01857	0.1
55.05482	0.3
56.90638	0.1
67.01835	0.8
67.05482	0.3
68.99767	0.9
69.03401	0.7
81.03375	0.3
81.07021	0.2
85.02876	0.3
91.05460	1.3
93.07015	0.5
95.04949	0.3
95.08585	0.9
97.02856	0.3
99.08115	0.2
105.26173	0.1
107.04890	0.2
107.08589	0.1
109.02895	0.3
109.03786	0.1
109.10137	0.2
119.04923	2.1
119.08568	0.2
121.10121	0.1
123.04401	0.8
127.03871	0.2
131.04904	0.3
131.08586	0.3
137.02359	0.1
147.04391	6.8
149.02263	0.2
149.05952	0.3
151.03941	0.2
153.01805	34.7
159.04343	0.3
163.03873	0.3
171.04413	0.2
173.05983	0.2
175.03857	4.7
177.05446	0.2
179.03346	1.8
187.03857	3.8
191.06990	0.5
199.03932	0.3
199.14848	0.2
201.01796	0.2
203.03360	4.4
205.01279	0.2
213.05385	0.2
215.03378	4.2
219.02890	0.2
227.01088	0.2
227.03345	5.0
229.01299	2.3
233.74217	0.2
237.03897	0.2
243.02840	4.0
245.04454	0.6
247.02348	1.8
261.03897	1.5
269.04343	0.2
271.02316	100.0
272.02625	0.2
275.20071	0.2
287.05402	3.3
289.03372	16.6
297.03983	0.3
330.03641	0.2
349.06995	1.6
381.09592	1.6
391.08041	57.6
392.08395	0.2
407.11148	0.8
439.06656	0.5
490.75986	0.2
518.38470	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98984	2.8
55.01857	3.9
55.05508	8.4
57.03424	13.0
57.07067	49.3
59.94060	3.4
67.05492	25.7
69.07069	8.4
71.04983	14.4
71.08620	32.7
76.88429	3.1
79.05476	34.8
79.78590	3.1
81.07037	29.9
83.04980	4.7
83.08620	13.4
85.10183	19.4
88.07601	3.6
91.05466	43.3
91.68230	3.2
92.08589	6.2
93.07035	18.2
93.28663	3.5
95.04958	7.6
95.08581	25.4
97.06499	3.3
97.61338	3.3
105.07014	14.7
107.08592	16.8
109.06490	5.2
109.10141	6.3
111.08081	4.3
117.07002	22.4
119.08517	23.6
133.10135	21.2
135.08035	19.8
143.33862	3.5
143.42976	3.4
161.09607	20.0
194.90833	3.2
235.13368	13.4
256.26141	5.2
285.16867	4.2
313.27325	100.0
465.35678	33.6
523.39618	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	559.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79732	0.1
55.01839	0.2
55.05488	0.6
67.01818	0.8
67.05458	0.9
68.99757	1.0
69.03391	0.6
73.51791	0.2
79.05444	0.2
81.03372	0.3
81.07022	0.2
87.00753	0.2
91.05417	0.8
93.06995	0.2
95.08594	2.1
96.08903	0.3
97.02828	0.7
97.06496	0.2
97.79572	0.2
103.05434	0.2
105.07004	0.3
107.08537	0.2
117.06991	0.2
119.04911	2.7
119.08585	0.2
123.04390	0.9
125.09610	0.2
127.03819	0.2
130.31786	0.2
131.04855	0.7
131.08424	0.3
132.93427	0.1
135.04376	0.2
137.02296	0.7
141.03267	0.2
147.04387	7.2
148.04686	0.2
149.02287	0.9
149.05934	0.7
153.01811	30.1
154.02090	0.3
159.04388	0.2
159.11627	0.2
161.05896	0.2
163.03822	0.3
171.04262	0.2
171.31966	0.2
175.03873	5.1
178.66916	0.2
179.03406	1.3
187.03847	3.2
188.04161	0.2
191.06926	0.3
193.04749	0.2
199.03871	0.6
201.01747	0.3
203.03386	5.2
215.03354	4.4
227.03372	4.2
229.01305	2.5
234.49554	0.2
243.02832	3.9
245.04443	0.3
247.02269	1.5
261.03870	1.2
268.37143	0.2
271.02319	100.0
272.02573	0.7
275.19965	0.4
279.27438	0.2
286.04333	0.3
287.05426	2.7
289.03375	15.7
297.03729	0.2
301.22787	0.2
330.20355	0.2
349.06940	1.6
381.09619	1.4
391.08054	47.9
392.08450	0.3
407.11258	0.3
433.09116	0.2
438.05405	0.3
439.06259	0.4
544.23944	0.2
559.10553	0.3
559.27350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.6
53.03934	3.0
55.01865	3.1
55.05510	34.8
57.03432	35.4
57.06812	3.1
57.07072	68.2
67.05496	56.6
69.03405	3.8
69.07060	23.3
71.04977	3.1
71.08620	47.9
79.05481	43.4
81.03402	77.9
81.07037	59.4
83.04962	27.0
83.08604	31.3
85.02898	39.9
85.06536	2.4
85.10168	18.5
89.06020	9.8
91.05473	46.5
93.07042	26.8
95.04942	34.8
95.08591	47.9
97.02885	2.4
97.06516	4.4
97.10148	10.3
105.07014	36.7
107.04964	7.0
107.08587	8.7
109.06509	8.6
109.10129	15.6
111.04447	2.4
111.08082	10.9
119.08564	30.0
121.10131	11.0
123.08050	2.0
123.11664	2.5
125.09506	1.8
129.06990	18.3
131.08530	14.7
133.06487	2.7
133.10107	20.4
147.11684	19.1
149.09605	9.4
157.10112	19.0
175.11168	11.9
193.12199	47.1
211.13254	56.0
257.24689	3.3
267.15771	16.8
285.16913	65.3
313.27301	100.0
323.33337	2.3
363.64755	1.8
505.38855	16.1
515.28894	2.4
523.39886	84.4
558.51849	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	558.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.0
57.03438	19.2
57.03661	2.0
57.07071	42.5
67.05502	19.3
67.44159	2.1
69.07066	12.5
71.04982	3.7
71.08615	23.5
79.05467	15.7
81.03400	58.3
81.07043	30.8
83.04971	16.5
83.08597	28.8
85.02894	15.7
85.10174	16.7
89.05976	3.7
91.05465	18.5
93.07027	15.4
95.04945	22.7
95.08577	19.4
97.10126	5.2
105.07024	20.9
107.04949	3.1
107.08614	3.5
109.10159	11.1
111.08084	6.3
119.08536	5.7
121.10130	10.0
123.11744	3.0
129.07007	6.4
131.08556	4.6
133.10094	11.5
147.11691	6.3
149.09612	4.3
157.10094	6.1
175.11198	6.0
193.12180	36.9
211.13286	32.5
256.26404	2.7
267.15826	4.9
285.16913	34.6
313.27322	51.8
452.10782	3.1
505.39188	3.5
522.86481	2.8
523.32251	5.0
523.39795	100.0
558.43005	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	558.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.1
53.03935	1.7
55.01858	5.0
55.05268	1.0
55.05509	21.1
57.03421	4.9
57.07072	16.1
61.02915	13.8
64.34216	0.9
65.03933	1.7
67.05497	77.4
68.67780	0.7
69.03406	3.6
69.07056	20.5
71.04980	1.5
71.08614	7.9
73.02889	3.9
75.04454	1.5
79.05478	64.0
80.72394	0.9
81.03422	1.0
81.07044	70.3
82.98219	1.0
83.04942	3.9
83.08607	10.9
85.01160	0.9
85.02892	12.7
85.06543	10.1
85.10163	4.8
91.03947	3.4
91.05464	100.0
92.09291	1.4
93.07028	70.6
95.04946	6.1
95.08590	54.9
97.02860	6.6
97.06504	6.3
97.10134	2.3
99.08064	3.9
103.05460	1.6
105.07018	82.8
107.08585	34.3
109.06506	1.9
109.10138	21.3
111.08063	3.3
113.09585	1.0
114.58094	0.8
115.05444	3.5
115.68486	0.9
116.07485	0.8
117.06995	35.1
119.08568	67.5
121.06500	2.0
121.10131	35.7
122.26965	0.9
123.08048	3.7
123.11684	5.7
125.09579	1.7
125.16157	0.8
128.06229	4.1
129.06995	26.4
130.07745	1.7
131.08548	51.2
133.10115	50.0
135.08022	11.8
135.11664	14.2
137.09538	3.3
137.13217	4.1
142.07780	5.5
143.08556	29.5
145.10103	28.9
147.08051	4.6
147.11659	28.5
147.12846	0.9
149.09599	13.9
149.13239	5.4
151.11198	1.7
151.14812	1.3
156.09303	1.1
157.10124	26.6
159.11678	13.7
161.09622	9.6
161.13205	20.0
163.11166	5.2
163.14786	6.5
165.16336	1.1
169.10112	1.3
171.11667	33.4
173.13200	11.2
175.11118	9.4
175.14847	14.5
177.12744	1.3
177.16341	6.3
185.13242	25.5
187.14807	8.5
189.12756	7.0
189.16360	17.6
191.14249	1.1
191.17923	4.5
199.14815	11.7
201.16385	6.0
203.14207	6.8
203.17929	33.5
213.16412	7.1
215.18010	1.3
217.15813	1.3
217.19533	1.1
219.17383	1.1
227.17926	1.9
229.14232	1.5
231.17340	1.1
241.19514	2.1
243.21037	4.9
245.22604	8.9
259.20612	9.4
259.24097	8.4
269.22592	51.2
287.23651	73.7
305.24753	1.4
351.24945	1.0
361.27289	5.9
362.90649	1.0
379.28387	30.1
423.27274	1.3
558.31189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18019	0.9
53.03927	2.5
53.46795	0.9
55.01852	6.3
55.05259	1.9
55.05502	25.3
55.78115	1.0
57.03426	9.1
57.06852	1.1
57.07068	17.8
57.36041	1.0
61.02665	1.1
61.02913	15.7
64.32857	1.2
65.03925	2.4
67.05491	90.2
69.03407	2.3
69.07055	22.0
71.04968	2.8
71.08603	6.9
73.02901	2.9
73.60159	0.9
73.73933	1.1
74.09666	1.4
79.05471	75.2
81.03376	2.0
81.07040	82.1
83.04963	5.6
83.08601	12.8
85.02873	12.6
85.06526	8.9
85.10201	3.6
91.03931	2.7
91.05459	100.0
92.62877	1.2
93.07022	88.0
95.04933	8.3
95.08586	60.3
97.02858	5.8
97.06508	9.7
97.10133	2.1
98.08521	1.3
99.08068	2.2
103.03933	1.5
105.04517	1.7
105.07014	75.9
107.04953	1.5
107.08568	44.3
109.06489	5.2
109.10139	22.8
111.08053	2.0
115.05407	2.2
117.06993	35.1
119.08559	70.5
121.06482	2.6
121.10126	41.1
123.07999	1.7
123.11657	7.5
125.09610	1.6
128.06207	4.5
129.05504	2.5
129.06972	24.6
130.07770	1.4
131.08539	49.9
133.10100	47.1
135.08029	8.6
135.11656	17.1
137.09544	4.4
137.13211	5.1
142.07780	1.4
143.08548	27.0
143.11938	1.2
145.10097	28.9
147.08023	4.3
147.11679	26.2
149.09587	12.0
149.13222	6.4
151.11113	1.5
151.14789	2.0
157.10118	26.5
159.11662	14.3
161.09590	9.8
161.13199	22.5
163.11166	2.5
163.14760	5.6
169.10120	1.8
171.11650	31.2
173.13203	8.4
175.11139	7.4
175.14798	12.3
177.12703	1.9
177.16391	5.9
181.10236	1.3
183.11691	2.0
184.12285	1.2
185.13257	21.8
187.14810	8.7
189.12709	5.4
189.16353	13.7
189.32724	1.4
191.17914	4.7
199.14799	14.7
201.16367	6.3
203.14304	7.5
203.17914	24.4
213.16389	7.9
215.17908	2.0
221.15405	1.6
227.17921	2.0
241.19464	2.5
243.05862	1.2
243.21066	4.9
245.22514	9.9
259.20541	6.6
259.24152	7.7
269.19980	2.0
269.22604	39.2
281.17676	1.5
287.23639	52.2
305.24680	8.4
317.91907	1.4
361.27090	6.9
379.28305	24.0
447.19464	1.3
523.32306	1.6
578.07068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55719	0.2
56.05034	0.3
58.06576	0.3
60.08152	9.4
63.80757	0.2
66.53254	0.2
71.07349	4.6
79.05458	0.3
81.07055	0.4
86.09692	49.9
86.77130	0.2
87.31087	0.2
90.39615	0.2
91.05443	0.3
93.07034	0.3
98.98449	3.7
100.19292	0.3
104.10725	3.9
105.07011	0.5
115.07333	0.2
124.99984	35.8
143.01031	0.5
163.03854	0.3
184.07312	100.0
188.92300	0.2
214.13635	0.3
258.11081	0.3
268.91086	0.3
293.20850	0.2
335.99344	0.2
540.30566	0.4
558.31732	5.4
559.00458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.8
53.03919	2.6
55.01858	6.0
55.05503	30.0
57.03424	8.2
57.07065	15.9
59.04951	1.5
61.02912	13.9
66.05135	1.1
67.05493	83.1
69.03411	2.0
69.07054	30.6
71.04975	6.8
71.08619	8.6
73.02901	6.1
79.05480	77.7
81.03379	1.8
81.07043	82.2
81.07536	2.7
83.04955	5.7
83.08603	11.5
85.02892	11.1
85.06516	9.6
85.10154	3.0
87.04465	1.3
91.03912	2.8
91.05461	100.0
93.07030	82.1
95.04949	9.3
95.08585	59.5
97.02870	6.7
97.06503	8.0
97.10129	2.7
105.04433	1.4
105.07020	79.6
107.08582	38.6
107.64830	1.4
109.06511	1.6
109.10144	26.3
111.08075	2.6
115.05456	1.5
117.06998	32.4
119.07233	1.6
119.08564	65.1
121.06498	1.9
121.10127	43.4
123.11692	5.7
128.06216	3.1
129.05441	2.4
129.06978	23.9
131.08542	49.8
133.10109	42.7
135.08038	9.8
135.11665	15.1
137.09604	2.6
143.08549	23.1
145.10106	28.8
147.11684	29.8
149.09650	12.4
149.13252	6.7
151.11110	1.4
155.08554	1.8
157.10117	26.3
159.11685	13.4
161.09619	8.8
161.13228	21.1
163.11137	5.8
163.14780	6.3
169.10103	2.9
171.11662	28.7
173.13211	15.2
175.11111	5.4
175.14810	18.0
175.79169	1.6
177.16313	3.2
183.11632	2.4
183.26627	1.4
185.13251	21.4
187.14754	7.9
189.12741	7.1
189.14757	1.4
189.16301	12.5
191.17911	2.7
199.14742	11.0
201.16316	2.9
203.14215	2.0
203.17867	19.3
209.97791	1.5
213.16331	5.9
227.17793	2.2
245.22705	10.5
259.20474	8.1
259.24155	8.1
269.19913	2.8
269.22598	36.9
287.23627	38.4
305.24646	6.5
361.27316	8.8
379.28333	24.5
523.32471	2.5
539.36932	2.1
540.37036	3.6
558.38373	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50670	1.0
55.01865	1.8
57.03438	1.3
58.76922	1.2
64.91972	1.1
74.08170	1.3
79.05468	6.1
81.07060	1.3
83.04997	2.0
83.80260	1.2
85.02898	9.8
91.05463	20.8
93.07037	1.5
95.04925	2.4
103.05449	16.8
105.07037	12.9
107.04963	33.5
111.04445	2.2
114.37872	1.7
115.05424	3.4
117.07019	2.1
119.04923	20.4
121.06508	9.3
122.03658	4.9
125.59167	1.4
129.06976	7.0
131.04922	26.6
133.02893	4.9
133.06476	11.6
135.07976	10.7
137.05966	89.7
145.06435	2.2
146.07262	1.7
147.04422	13.0
148.05147	1.8
149.05978	12.6
151.07530	42.1
157.06480	7.3
161.05960	100.0
161.09602	23.7
162.06747	5.9
163.03851	2.4
163.07532	50.6
163.08897	1.6
165.07106	1.3
167.08539	2.4
174.06715	5.8
175.07507	10.3
177.09114	2.7
181.08577	8.1
189.09099	58.8
193.06464	2.3
193.10132	1.7
195.08014	6.5
207.08195	3.3
207.10147	51.6
209.09464	1.4
219.10179	5.6
221.05920	2.4
221.09598	1.7
223.07527	3.3
225.09093	6.4
225.11398	1.2
227.10733	12.1
243.97466	1.3
249.09079	1.8
253.08620	2.4
253.12083	3.4
255.10114	10.4
269.08017	1.6
270.04730	1.7
270.11975	1.5
285.11115	11.1
287.12741	18.1
297.11029	2.4
299.12628	2.3
311.12756	9.3
313.14221	15.7
325.14371	1.9
331.15363	57.2
343.15231	5.8
546.07220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51526	0.3
53.03948	0.4
55.01861	0.4
55.05512	4.4
57.07063	1.6
59.04994	0.7
65.29285	0.3
67.05494	22.8
67.23006	0.3
69.03413	1.9
69.07056	0.6
79.05474	0.7
80.06268	0.4
81.03397	0.5
81.07025	1.9
83.04971	0.4
85.02907	1.6
85.06506	0.6
91.05447	1.6
93.07030	6.4
95.04943	0.9
95.08587	100.0
97.02888	0.5
97.06510	1.9
97.10138	0.4
105.07024	2.0
107.04942	0.7
107.08564	0.5
109.06516	0.5
117.06969	0.5
119.08533	3.0
121.10151	0.7
123.08038	0.5
131.08574	1.4
133.10191	0.7
135.08055	0.5
137.02380	2.6
137.03331	0.3
137.09653	0.7
142.07724	0.4
145.02908	0.4
145.10104	1.5
147.11665	2.8
151.07518	1.6
157.10101	0.6
159.11699	1.3
161.20844	0.4
163.03862	3.2
169.10094	0.4
171.11688	0.6
173.13278	0.4
174.96153	0.3
175.11119	4.8
189.12634	0.5
201.12904	0.4
215.07045	0.6
217.73196	0.4
219.13797	2.6
257.18939	1.8
259.09671	0.8
275.20016	40.8
314.16302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
54.05915	1.4
55.01860	2.7
55.05513	13.7
55.05737	1.5
57.03404	2.4
63.94066	1.7
66.25920	1.6
66.97421	1.4
67.05497	32.9
68.99769	3.6
69.03422	18.7
69.07047	7.2
71.04967	3.5
79.05482	7.4
81.03410	15.4
81.07048	7.5
83.04948	2.1
85.02905	19.6
85.06516	9.6
87.00815	9.7
91.05462	25.2
92.05801	2.5
93.07038	15.7
95.04944	7.0
95.08594	93.8
97.02901	4.1
97.06501	10.9
99.04432	12.9
99.08064	2.6
99.63338	1.6
105.01859	3.6
105.07002	9.3
107.08579	9.1
109.02883	12.3
109.06502	2.6
109.10134	2.7
113.06007	2.2
116.63120	1.9
119.04929	35.8
119.08572	12.1
120.05254	13.7
121.02894	1.7
121.10117	7.7
123.11699	2.0
127.03841	12.0
129.01830	1.6
129.07042	2.7
131.08498	2.9
133.10112	7.2
135.04379	1.6
135.11501	1.6
137.02318	8.2
137.06018	1.7
138.64120	1.7
140.34613	1.6
143.08530	3.0
145.04916	2.8
145.10135	6.3
147.04393	100.0
147.11667	3.2
148.03606	2.2
148.04739	40.4
149.09615	2.1
151.07507	2.1
153.01810	25.8
154.02185	6.9
155.10680	2.2
157.10062	1.9
159.04475	1.7
159.11681	2.6
163.03851	14.1
163.11171	2.5
173.02251	2.8
173.13315	3.0
175.03889	11.0
175.11214	1.8
176.04094	4.8
187.03853	11.5
187.14738	2.1
188.04140	3.0
199.14864	2.3
203.03337	8.4
204.03732	3.5
213.05537	1.8
215.03365	7.7
215.06966	3.0
216.03682	2.7
221.04439	1.7
227.03258	2.5
228.03694	2.2
229.04965	1.9
243.02924	2.2
244.03142	3.8
253.04871	10.8
254.05235	6.6
257.04401	13.2
257.18973	12.0
258.04727	8.4
259.09616	6.3
271.02313	50.0
271.05515	2.7
272.02628	40.6
272.05826	2.5
273.02884	2.0
275.20062	7.3
276.05722	2.2
281.04437	7.2
286.04306	2.1
289.03317	19.4
290.03726	13.2
293.21094	3.4
296.06400	2.1
298.04388	1.8
299.05344	8.9
300.05872	10.0
309.03909	15.5
310.04150	19.2
323.05057	2.6
324.05719	2.6
349.03076	2.5
350.03705	3.6
355.15384	7.1
377.02835	7.6
378.03253	13.2
391.07959	1.9
392.08426	10.7
435.85403	1.9
437.05032	16.5
438.05347	57.9
439.05634	3.8
523.25348	26.7
533.59827	1.9
558.10742	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	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
54.64151	0.4
55.01621	0.4
55.01859	3.7
55.83962	0.5
57.03418	3.2
59.08633	0.5
60.57566	0.4
61.02920	3.4
65.03936	0.7
67.05438	0.5
68.06879	0.4
69.03416	9.8
71.04977	0.7
73.02882	1.0
79.05472	5.0
81.03394	7.8
81.52582	0.5
83.04945	0.5
85.02892	20.1
91.05459	13.7
93.07047	1.1
94.04166	1.1
95.04956	4.9
97.02865	7.6
99.04442	2.3
103.03921	1.1
103.05446	14.3
105.07008	19.1
105.83707	0.5
106.04285	0.5
106.66286	0.5
107.04941	34.8
109.02859	2.1
109.06495	0.8
111.04435	0.8
115.03877	0.9
115.05400	4.0
117.06988	2.4
119.04932	15.4
119.08514	0.5
121.06488	12.2
122.03635	3.6
123.04427	0.6
127.03899	6.1
128.06174	0.5
129.05498	0.6
129.06978	6.2
130.04128	1.2
131.03947	0.7
131.04907	16.3
131.08591	2.3
133.02832	20.3
133.05542	0.9
133.06465	18.7
135.04395	2.3
135.08044	8.1
137.05956	100.0
141.07001	0.9
143.04874	0.9
144.05704	0.7
145.04945	1.8
145.06464	2.7
145.07498	0.7
146.07254	2.8
147.04398	19.6
147.08034	0.9
148.05159	3.6
149.05959	21.4
149.09615	0.7
150.06714	4.2
151.03937	1.0
151.07518	28.5
153.06979	0.7
157.06474	5.9
158.07254	0.6
159.04443	0.9
159.07996	0.9
160.05173	0.9
161.05948	82.9
161.09579	19.0
161.10863	1.0
162.06697	5.8
163.07510	57.2
165.05461	3.8
165.06927	1.1
165.09097	5.2
167.07025	3.6
167.08533	2.2
169.06471	1.2
171.07999	0.8
171.91850	0.5
172.05093	0.6
173.05997	1.0
174.06721	3.6
175.07503	12.6
177.05457	4.3
177.06856	0.5
177.09055	3.0
179.07011	16.7
181.06891	0.7
181.08563	9.6
187.07587	3.4
189.09073	40.6
191.07036	8.0
193.06522	0.7
193.08554	2.4
193.10097	1.1
195.08020	4.2
195.09995	0.5
197.05983	1.1
199.07480	1.1
201.09084	2.6
203.07002	5.0
203.10667	0.8
205.06546	0.6
207.10135	44.9
211.07523	0.8
212.08217	0.6
213.09027	0.7
215.06985	2.7
217.08595	1.9
219.10161	3.6
221.05977	2.7
221.07838	0.6
221.09746	0.6
223.07637	3.3
223.09373	0.5
225.09009	3.0
225.11134	1.1
227.10657	5.2
229.08560	2.3
231.10139	0.6
237.09021	1.1
238.06320	0.7
241.08443	0.7
245.07857	0.8
247.09596	0.7
249.08911	0.6
249.11336	1.5
251.07080	0.6
252.07631	0.8
253.08568	3.0
253.12224	2.2
255.10143	4.4
257.08115	0.9
265.08536	0.9
267.10159	1.2
272.10272	1.0
273.11182	5.3
275.09085	0.9
284.10303	0.5
285.11261	5.3
287.12744	5.1
291.12283	6.7
293.10046	0.7
297.11246	2.8
299.12759	2.3
305.10220	0.7
309.13278	2.4
311.11435	2.3
313.14310	7.7
323.11365	0.9
325.14362	1.0
331.15356	24.6
332.15891	0.5
343.15332	6.8
439.86285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87272	0.7
62.89896	0.7
64.50286	0.8
69.03406	3.7
76.48493	0.7
80.74361	0.7
85.02904	5.6
89.02480	0.7
92.39235	0.7
97.02908	1.6
115.05464	0.9
130.06506	11.6
142.06508	4.3
158.05974	10.9
163.03874	1.7
170.05972	3.7
186.05472	93.8
188.07016	1.7
198.05472	100.0
216.06526	77.2
234.07561	59.9
238.20905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17012	0.5
53.03944	4.2
55.01865	1.2
55.05505	100.0
57.03425	0.9
61.02892	0.6
66.94169	0.5
67.05494	5.1
68.99757	0.7
69.03417	6.7
69.07046	2.7
71.05006	0.8
72.35575	0.6
73.02871	0.8
73.06531	2.6
79.05462	2.7
81.03397	5.0
81.07036	3.5
84.87386	0.6
85.02889	11.6
85.06534	1.1
87.00791	5.7
91.05447	3.5
93.07039	4.6
95.08585	12.6
97.02902	5.1
97.06499	3.5
99.04416	1.4
105.01838	2.9
105.07010	1.5
107.08557	1.0
109.02872	6.0
109.10132	2.6
117.01819	1.1
119.04927	1.1
119.08557	2.4
121.02825	1.0
121.10091	3.9
124.27254	0.7
127.03898	5.6
129.07002	2.4
131.08572	3.5
132.51671	0.6
133.10074	1.5
137.02315	3.3
137.09554	2.2
138.02745	0.7
139.11209	0.8
145.04924	0.8
145.10101	1.0
147.04417	4.9
148.04652	0.7
149.02319	47.2
149.09612	5.8
153.01781	5.9
157.06450	0.9
157.10085	1.3
159.02850	3.7
161.05934	4.4
161.18684	0.6
163.03876	3.4
175.07529	13.1
179.03433	1.0
183.11705	0.8
197.13249	1.0
199.14845	1.3
203.07008	40.2
221.08076	2.3
257.18979	1.3
259.09500	2.6
271.02393	6.5
275.12729	52.1
275.19943	3.3
276.13129	0.9
285.03790	0.6
286.04086	1.1
289.03329	0.9
293.13809	4.1
391.08124	2.6
392.40097	0.6
402.40521	0.8
405.09070	0.7
406.09998	0.7
438.05005	1.0
455.59094	0.6
523.25037	4.5
540.28809	0.6
558.10565	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.4
53.03930	5.9
54.81514	1.2
54.89682	1.0
55.01853	6.0
55.05268	1.8
55.05508	38.3
57.03434	13.5
57.07063	5.2
63.88733	1.0
64.33106	1.3
65.03925	1.3
67.05139	2.6
67.05493	68.1
69.07058	26.4
71.04968	2.5
79.05479	62.4
81.03384	2.8
81.07041	68.8
83.04973	9.8
83.08598	13.6
85.06519	3.0
91.05464	71.3
93.07027	65.6
95.04944	16.3
95.07999	2.1
95.08593	38.6
97.06507	3.0
97.10158	5.8
99.08028	1.2
103.03901	1.4
105.07018	75.1
107.04927	6.6
107.08592	26.0
108.38268	1.2
109.06503	5.5
109.10147	15.6
111.08045	2.5
115.05440	1.4
116.06220	1.3
117.07006	29.7
119.07726	1.7
119.08566	50.2
121.06473	1.8
121.10148	14.9
123.08025	5.6
123.11669	2.3
128.06190	8.5
129.06973	31.7
130.80931	1.3
131.07637	2.2
131.08553	42.8
133.06448	1.5
133.10115	33.9
135.07996	1.3
135.11673	8.5
141.06966	12.5
141.24063	1.3
142.07759	8.0
143.08553	34.5
145.10104	37.8
147.07996	1.6
147.11659	28.7
149.09593	1.5
149.13260	5.0
153.06873	1.7
154.07787	2.5
155.08534	27.9
156.09344	2.6
157.10114	31.2
159.11679	23.3
161.09561	1.5
161.13245	14.1
163.11157	1.2
165.07018	2.5
166.07779	2.4
167.08528	12.4
168.09290	4.5
169.10095	33.1
170.10875	1.8
171.11664	36.4
173.13203	18.5
175.14796	4.9
177.12704	1.5
179.08554	5.2
180.09331	2.1
181.10072	22.1
182.10878	4.7
183.11678	26.3
185.09683	1.5
185.13211	17.2
187.11115	1.4
187.13326	1.4
187.14737	9.9
189.12779	2.0
191.08455	1.5
193.10109	7.9
195.11656	16.9
197.13226	18.3
199.14801	11.6
201.16443	1.8
207.11661	6.1
207.13553	2.0
209.13177	12.3
211.14732	9.9
213.16339	6.1
219.11769	1.5
223.14824	6.7
225.16383	5.1
227.17973	1.6
234.32368	1.3
235.14781	2.8
237.16377	2.5
239.17870	2.8
241.19438	7.7
251.17949	2.2
258.66373	1.4
259.20532	18.3
277.21643	1.4
279.15732	1.7
281.17401	14.0
283.20590	2.0
295.20486	1.4
297.22226	1.5
311.20041	1.5
315.23120	1.9
321.21765	1.6
323.23453	2.7
333.24319	9.9
335.23761	2.7
339.23309	2.0
341.24582	1.3
419.32602	3.5
429.31424	2.3
437.34055	9.1
447.32480	22.0
465.33640	17.8
483.35025	10.2
501.35318	2.3
503.35095	1.8
511.38095	2.2
521.36096	7.9
529.38727	6.4
539.37256	100.0
557.30847	2.4
557.38312	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26175	1.0
53.00303	1.6
53.03923	6.3
53.45081	0.9
54.47295	0.9
55.01858	6.1
55.05503	49.3
57.03425	13.2
57.07055	6.8
59.04985	1.5
65.03909	2.6
66.56646	1.3
67.05488	70.2
69.03385	1.3
69.06712	1.6
69.07051	30.4
71.04964	2.5
79.05471	69.8
81.03392	5.7
81.07036	64.6
83.04961	6.9
83.08599	13.4
85.06518	2.7
91.05458	86.3
93.07016	68.0
95.04943	14.6
95.08578	47.2
95.09195	1.5
97.06493	7.0
97.10131	8.3
105.04473	1.1
105.07008	76.4
106.38744	1.1
107.04925	6.4
107.08572	30.2
109.06483	7.0
109.10151	15.8
111.08048	1.7
115.05412	4.5
117.06987	35.5
119.08553	62.1
121.06508	2.1
121.10120	17.2
123.08021	6.4
123.11681	1.5
127.07479	1.5
128.06189	7.7
129.06978	35.1
130.07748	1.3
131.08534	48.7
133.06480	2.1
133.10098	26.3
135.08037	4.3
135.11679	11.0
137.09590	1.3
141.06944	12.6
142.07747	8.0
143.08546	35.4
145.06490	2.1
145.10104	43.4
147.08014	2.0
147.11671	32.8
149.09624	1.7
149.13306	4.0
153.06940	2.3
154.07654	1.5
155.08534	35.2
156.09300	4.4
157.10101	31.8
158.10834	1.6
159.11646	25.0
161.09709	1.9
161.13222	14.1
162.88214	1.2
165.06990	2.1
166.07782	1.8
167.08534	12.6
168.09341	2.5
169.10081	35.8
170.10886	1.6
171.07919	1.3
171.11647	32.7
173.09546	1.3
173.13194	12.5
175.14827	4.8
179.08540	4.8
180.09285	2.4
181.10100	17.9
182.10875	2.5
183.11655	30.4
185.13226	17.2
187.11191	2.2
187.14772	7.9
189.12642	2.8
193.10115	9.4
194.10872	1.3
195.11690	18.0
197.13210	16.9
199.14792	10.9
201.16348	2.5
207.11633	5.8
207.13695	4.6
209.13275	12.9
211.14793	12.3
213.12733	2.0
213.16353	5.2
219.11607	2.0
221.13162	7.2
223.14793	11.0
225.16335	5.6
227.14351	1.5
227.18021	1.8
235.14751	4.9
237.16373	1.8
241.19516	9.4
249.16277	1.7
251.17851	2.5
259.20551	14.6
279.15771	2.5
281.17258	10.0
309.22116	2.0
313.21628	2.1
323.23761	4.3
333.24319	8.7
339.22903	1.2
353.24710	1.9
367.26324	1.5
419.32953	5.1
429.31308	1.9
435.59860	1.3
437.34052	6.5
447.32446	21.6
465.33505	23.4
483.34619	11.5
501.35876	2.1
503.35110	2.2
511.37079	1.5
521.36377	8.8
529.38635	6.7
539.37183	100.0
557.30450	4.0
557.38251	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3475
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
51.83227	6.6
55.01877	7.0
55.05506	99.3
57.03429	9.2
62.73451	7.3
67.05499	72.3
67.20920	6.7
69.07058	34.2
79.05476	71.6
81.07048	79.1
83.04964	9.3
83.08611	29.9
88.13794	7.2
91.02317	7.3
91.05463	78.0
93.07033	56.2
95.04906	14.3
95.08593	45.4
97.10159	51.4
105.07011	60.6
107.08582	36.4
109.06481	9.8
109.10162	18.3
110.82916	8.4
115.05373	8.2
117.07002	16.9
119.08569	48.2
125.09641	17.8
129.06972	18.3
131.08565	49.5
133.10127	41.8
135.11717	10.6
142.07782	10.4
143.08549	32.5
145.10101	37.2
147.11702	9.3
155.08492	12.2
157.10135	18.5
159.11696	26.8
169.10158	12.9
171.11713	18.6
183.11673	28.6
185.13255	9.0
209.13170	9.2
211.14696	10.1
239.89153	8.2
419.29187	14.2
437.30673	11.9
447.79767	8.5
465.30093	37.0
483.30887	14.4
511.33746	13.5
529.35236	56.9
539.33655	67.9
539.82465	7.9
557.34692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1079
Annotation	Sulcatone A
Peak:m/z	Relative Intensity
54.81782	0.5
55.48001	0.5
59.63461	0.5
68.99773	5.2
69.08619	0.4
70.52897	0.4
75.33886	0.5
91.05459	12.5
92.09359	1.0
100.21361	0.5
107.04939	0.6
111.00750	0.5
119.04919	32.1
121.02839	0.6
136.16275	0.5
137.02338	2.2
139.03900	0.8
147.04395	100.0
153.01799	27.5
153.03000	1.0
159.04356	0.7
163.03922	1.3
165.01762	0.9
171.02908	0.7
171.04294	1.8
173.02362	0.7
175.03876	8.9
177.05478	1.0
177.13257	0.5
183.04469	0.6
185.06050	0.5
187.03772	7.4
187.05301	0.5
191.03368	0.9
193.01237	0.9
201.01805	0.7
203.03378	8.5
215.03377	9.2
215.06944	1.2
221.04533	0.6
225.05428	2.3
227.03314	5.2
229.01288	3.4
229.04913	2.8
239.03265	0.7
243.02835	8.5
243.06561	2.3
247.02310	3.5
253.04901	13.7
257.04388	18.7
269.00833	1.0
269.04416	2.1
271.02335	73.0
271.05740	5.0
275.05392	2.6
281.04346	8.9
283.05862	2.7
285.03888	2.5
289.03351	17.3
293.04425	2.1
295.06015	3.3
297.03918	2.5
299.05472	11.9
305.04462	0.7
309.03906	25.4
321.03860	1.1
323.05399	5.4
325.03485	1.0
327.04941	2.7
349.03348	6.1
349.06967	1.3
351.04834	1.1
353.02814	3.0
377.02908	12.4
391.08179	12.4
395.03833	0.7
411.07373	0.6
419.04019	2.4
437.04993	61.0
464.91409	0.6
539.09460	1.1
557.10315	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	557.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56118	0.4
65.03912	1.6
67.01858	0.6
68.99782	5.6
69.03373	0.6
69.07024	0.4
75.09852	0.4
81.03373	0.4
81.07051	0.5
85.51849	0.4
91.05463	15.0
96.10363	0.4
97.06512	2.1
103.05421	0.9
107.04931	0.7
109.76349	0.4
111.00764	2.0
114.37399	0.4
119.04925	37.7
121.02828	0.8
123.08016	0.4
128.89049	0.4
131.04912	1.5
135.04416	1.0
137.02338	2.6
137.03288	0.4
137.05965	5.1
138.06274	0.8
147.04393	100.0
151.07504	2.2
152.07803	0.4
153.01814	31.3
159.04382	1.8
161.05875	1.4
163.03886	1.7
165.01689	0.5
171.02939	0.7
171.04358	0.9
173.02322	1.0
173.05939	0.6
174.93515	0.4
175.03853	10.4
175.07544	0.6
177.05466	1.6
177.09093	0.5
179.03348	0.8
187.03787	8.9
189.05446	0.5
191.03354	0.6
193.01230	1.4
195.10159	0.8
197.05962	0.8
199.03931	2.0
201.01799	1.9
201.05420	0.6
203.03358	10.5
213.05449	0.5
215.03369	11.2
215.06723	1.0
221.04384	1.5
225.05444	1.6
227.03378	6.5
229.01312	4.3
229.04924	2.6
237.05325	0.8
241.01286	0.8
243.02870	9.7
243.06454	2.4
245.04384	0.9
247.02299	4.6
253.04938	12.3
255.02859	0.9
255.06433	0.5
257.04413	19.9
259.09625	0.8
261.04074	0.5
265.04929	0.7
265.08331	0.6
267.06421	0.9
269.00839	0.9
269.04327	2.3
269.07016	0.5
271.02335	70.6
271.05765	4.5
275.05499	2.7
277.05072	0.8
281.04385	9.5
282.05252	0.5
283.02499	0.4
283.05917	2.5
283.08951	0.4
285.03934	2.5
285.07053	0.5
285.11255	0.5
289.03375	18.7
293.04370	2.1
295.02988	0.5
295.05936	3.1
297.03894	2.2
297.11118	0.8
299.05441	13.1
305.04263	0.6
309.03900	23.3
311.01959	0.5
311.05362	1.6
311.12991	0.5
321.03705	3.3
323.05408	5.6
325.03207	1.6
327.04926	3.0
349.03342	7.1
349.07126	0.7
350.82355	0.4
351.04977	2.3
353.02908	3.0
353.06897	0.6
367.04306	0.5
377.02911	12.9
391.03729	0.6
391.08136	12.1
395.03894	1.7
408.10239	0.5
419.03940	2.7
434.59177	0.5
437.04974	65.5
455.06519	0.5
462.88000	0.4
539.09521	2.1
557.10645	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	557.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31665	0.5
53.71910	0.5
54.82080	0.6
65.03920	0.6
66.32455	0.5
66.65527	0.5
67.01844	2.8
68.99776	8.0
69.03400	0.8
91.05460	21.4
111.00791	3.5
119.04917	45.9
121.36049	0.5
133.73285	0.5
147.03529	1.7
147.04390	95.1
153.01810	100.0
155.04915	1.1
161.05986	0.9
171.02885	2.8
171.04324	1.8
173.06035	1.2
175.03886	0.9
183.04425	1.3
187.03827	6.3
189.05435	6.1
195.02925	0.7
199.03902	3.3
201.05437	5.4
201.07132	0.6
207.02849	0.7
211.03914	2.6
213.01828	1.3
213.05367	1.0
215.03366	11.1
217.04964	2.7
225.05447	0.7
227.03374	2.2
229.04897	6.9
235.24922	0.6
237.05324	1.0
239.03406	3.4
241.01324	1.0
241.04883	6.8
243.02846	9.6
243.06525	0.8
248.81906	0.6
253.04831	4.2
255.02859	11.4
257.04465	3.8
259.06085	2.7
261.03964	3.3
262.13968	0.6
267.02768	7.2
269.01019	0.6
269.04257	1.0
271.05872	0.7
281.04443	4.4
283.02548	4.2
285.03882	80.3
286.04572	0.8
287.01926	1.3
293.04401	1.1
297.03857	12.6
298.04764	2.5
299.05472	6.3
303.04932	21.0
309.03931	5.9
311.01837	21.3
311.05255	1.5
323.05597	3.5
327.04922	36.9
329.02869	17.0
335.05344	1.1
349.03485	0.7
351.04663	0.8
353.02847	25.6
353.07034	1.0
363.08945	0.9
367.04437	2.6
369.05981	1.0
377.02942	4.9
385.19672	0.6
395.03766	4.3
405.09595	30.3
411.07050	5.4
419.04095	0.7
431.07498	16.4
437.04932	57.9
455.05960	7.3
463.06528	0.8
557.10675	81.4
560.91974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
67.01856	2.3
68.99769	1.2
69.03422	1.4
69.07040	0.2
79.01837	0.2
81.03367	0.2
81.07042	0.2
83.01334	0.3
85.02868	0.2
91.05449	0.2
95.27633	0.2
97.02885	1.2
97.64156	0.2
111.00809	0.2
119.04906	0.8
147.04424	2.3
153.01811	100.0
159.04347	0.2
171.02853	0.8
173.05919	0.4
183.04344	0.3
187.03925	0.7
189.05446	2.6
199.03848	0.2
201.05469	2.4
211.03931	0.8
215.03352	0.8
217.04938	1.3
229.04959	1.5
239.03310	0.8
241.04970	0.3
243.02826	0.4
255.02826	0.6
257.04440	2.5
267.02896	0.9
283.02304	0.8
285.03882	48.0
286.04434	0.2
297.03824	0.4
299.05780	0.2
303.04877	0.4
307.02249	0.2
309.03854	0.3
311.01767	3.1
327.04907	1.6
329.02905	0.3
353.02905	1.1
363.08560	0.6
377.02963	0.3
395.03842	0.3
405.09604	20.8
431.07474	0.4
437.04877	3.3
455.06256	0.3
459.32056	0.2
459.92822	0.2
546.92108	0.2
557.10699	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	557.1078
Annotation	Garcinianin
Peak:m/z	Relative Intensity
59.93457	0.2
67.01844	2.3
67.57909	0.2
68.99765	1.5
69.03422	1.6
77.39329	0.2
81.03419	0.2
91.05460	0.3
97.02846	1.1
98.27019	0.2
119.04922	0.4
134.75539	0.2
147.04408	2.5
153.01810	100.0
171.02933	0.4
173.06038	0.4
183.04425	0.4
187.03905	0.5
189.05415	1.8
199.03905	0.2
201.05399	2.0
205.58165	0.2
211.03859	1.0
215.03397	0.5
217.04973	1.5
218.18204	0.3
229.04921	1.2
239.03207	0.4
241.04846	0.5
243.02983	0.3
255.03122	0.3
257.04474	1.9
267.02777	0.4
283.02371	0.9
285.03879	48.3
297.03894	0.4
303.04999	0.3
307.02377	1.0
311.01862	3.7
327.04984	2.1
334.22574	0.2
348.02481	0.2
353.02921	1.2
363.08609	0.5
368.00925	0.3
395.03769	0.3
405.09622	23.0
431.07983	0.4
437.05060	3.4
462.62338	0.2
557.10736	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1078
Annotation	Garcinianin
Peak:m/z	Relative Intensity
53.31108	0.5
58.44886	0.5
65.03928	1.2
67.01857	2.5
68.99780	8.7
69.03432	0.7
91.05465	19.8
97.02859	1.1
107.05033	0.6
111.00801	2.8
119.04926	47.2
131.04967	0.7
137.02344	0.8
147.04398	93.5
148.04895	0.8
153.01817	100.0
161.05962	0.9
171.02917	2.3
171.04379	0.7
173.05998	1.0
175.78534	0.6
178.41878	0.6
183.04428	2.9
185.05923	0.7
187.03847	7.4
189.01866	0.8
189.05528	7.0
195.02946	0.7
199.03955	3.9
201.05493	5.5
207.02896	0.8
211.03905	3.8
213.01826	1.0
213.05495	2.1
215.03401	11.6
216.87241	0.6
217.04996	2.4
227.03267	2.1
229.04950	6.1
231.02879	0.7
239.03369	2.5
241.01523	0.8
241.02577	0.9
241.04872	10.6
243.02875	11.2
253.05005	4.7
255.02867	10.0
257.04425	4.9
259.06046	1.2
261.04001	3.4
267.02798	6.6
269.00851	1.1
270.01755	0.8
271.06107	1.3
281.04385	4.3
283.02292	5.4
285.03909	76.2
286.04636	0.9
287.02026	1.4
293.04556	1.3
297.03891	10.9
298.04794	3.4
299.05457	6.0
303.04993	21.6
309.03922	6.2
311.01855	20.9
311.05411	1.2
321.03906	0.9
323.05548	2.5
325.03378	1.5
327.04956	35.8
329.02802	15.7
335.05627	1.0
349.03543	1.2
351.05038	0.9
353.02850	26.6
363.04837	0.9
367.04492	2.9
369.05914	0.7
377.02774	5.3
395.03891	5.7
405.04214	1.4
405.09622	32.4
411.07108	6.3
419.03870	1.3
431.07495	16.8
437.04984	60.3
437.45441	0.7
455.05960	7.9
463.06613	1.2
516.02045	0.7
557.10712	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.7
53.03945	3.0
54.81588	1.6
55.01863	4.2
55.05505	23.0
57.03431	19.7
57.07070	68.3
67.05496	29.5
69.07059	18.0
71.04979	4.2
71.08621	40.4
79.05479	34.6
81.03413	3.1
81.07044	41.6
83.04946	6.7
83.08604	20.9
85.06530	2.8
85.10180	21.4
89.06038	14.0
91.05461	9.0
92.08637	4.1
93.07030	50.5
95.04950	10.1
95.08588	70.6
97.02869	2.9
97.06489	2.9
97.10153	4.0
99.04429	7.0
105.07019	6.8
107.04965	12.9
107.08591	36.3
109.06528	2.6
109.10148	12.0
117.07020	10.4
119.08587	18.3
120.77323	1.7
121.06502	8.2
121.10119	17.8
125.05995	2.4
126.96951	1.8
130.07776	2.4
133.10083	2.9
134.33226	1.8
135.08015	2.5
135.11676	69.0
137.13200	2.4
145.10121	47.0
152.16293	1.9
163.11163	79.6
172.95441	2.1
181.12253	11.7
227.12767	76.9
283.15375	51.1
283.26334	14.2
300.28912	4.0
313.27353	100.0
371.22574	2.8
446.49100	2.0
492.47556	2.0
521.38306	70.4
556.52899	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22564	1.7
53.03932	3.1
53.16530	2.1
55.01863	18.0
55.05510	42.8
57.03431	36.3
57.07071	91.6
57.31451	1.6
59.04993	2.5
65.03912	2.0
65.64540	2.0
67.05495	33.8
68.86121	1.5
69.07055	17.4
70.06570	3.2
71.01351	1.9
71.04971	9.7
71.08619	48.0
77.75158	1.7
79.05476	31.0
80.78828	1.6
81.03407	12.1
81.07037	50.2
81.26569	1.6
82.99755	2.2
83.01334	17.8
83.04960	21.1
83.08609	36.1
85.02903	3.4
85.10168	25.6
89.06011	23.6
91.05441	20.2
92.09264	2.4
93.07038	40.5
95.04957	11.5
95.08588	39.8
97.02879	2.2
97.06496	8.8
97.10122	9.0
99.04418	4.2
101.73002	2.0
105.07001	12.4
107.04948	14.6
107.08600	25.0
109.06521	11.1
109.10143	18.3
111.04443	2.8
117.07011	13.1
119.08571	11.7
121.06490	3.6
121.10120	11.1
123.08051	15.5
123.11708	3.9
125.83006	2.1
128.46140	2.0
131.08513	4.1
133.08603	3.9
133.10103	2.7
135.11678	14.3
145.10127	26.5
147.08080	2.3
158.03764	2.2
163.11169	33.5
172.63773	2.3
181.12219	3.6
191.10654	2.7
209.11737	4.0
211.13113	2.3
238.57686	2.0
256.26303	3.2
283.15341	88.2
283.26254	18.1
300.28909	7.9
311.29404	12.9
313.27328	100.0
371.22769	3.6
456.10529	2.1
521.38367	61.9
556.53223	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	556.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81612	1.2
55.05481	1.2
58.06517	1.0
62.32526	1.0
67.05495	2.5
70.45446	1.0
71.08579	0.9
79.05476	5.2
81.07055	2.6
89.06017	12.2
93.07015	2.4
95.04948	2.6
95.08573	2.0
103.05437	2.3
105.07014	100.0
119.08521	1.2
119.84402	1.4
121.06516	9.3
129.06964	1.5
133.08583	2.6
142.45097	1.1
146.63315	1.2
153.00778	1.2
153.27324	1.1
165.09129	2.9
227.12761	16.7
313.27133	1.5
331.18909	6.9
371.22690	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	556.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62713	0.5
51.10188	0.5
53.03930	0.8
56.40385	0.6
67.05482	1.3
68.28126	0.5
71.04902	0.6
79.05477	3.9
81.07040	1.3
89.06007	9.9
91.05447	1.0
93.07037	1.3
95.04954	0.9
95.08540	0.8
103.05466	2.6
105.07013	100.0
121.06490	8.8
121.09991	0.5
133.08597	3.6
142.09496	0.6
153.96152	0.6
165.09096	4.7
170.32401	0.6
209.13264	2.5
227.12746	18.2
235.16730	0.6
254.97250	0.7
331.18918	6.7
371.22610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21194	1.0
53.03923	3.0
54.82288	1.2
55.01850	5.6
55.05507	24.1
57.03424	9.7
57.07056	6.7
58.59784	1.1
61.02921	15.0
64.21445	1.1
65.03920	1.8
67.05492	86.8
69.03408	2.2
69.07054	20.0
71.04979	2.8
72.10818	1.1
73.02886	5.7
79.05473	78.9
81.03379	1.3
81.07036	79.5
83.04960	2.7
83.08606	7.8
85.02888	11.2
85.06517	5.8
85.91193	1.1
91.03925	2.6
91.05459	100.0
93.07021	71.6
95.04942	10.0
95.08582	48.9
97.02877	5.9
97.06503	5.9
99.08072	1.6
102.57751	1.2
103.05432	2.1
105.07007	78.2
107.08578	42.9
109.06530	4.2
109.10143	22.2
111.08097	2.5
115.05434	6.5
116.06171	1.7
117.06995	56.3
119.08553	65.1
121.06511	1.5
121.10117	29.8
123.08040	2.8
123.11710	8.7
123.40730	1.3
128.06151	5.3
129.05443	1.3
129.06964	32.3
130.07794	2.8
131.08540	74.0
133.10103	40.1
135.08011	7.0
135.11685	18.4
141.06953	19.7
142.07770	3.0
143.08539	25.3
145.10104	46.0
147.08115	2.6
147.11673	23.6
149.09567	9.2
149.13246	10.3
154.07761	1.5
155.08510	14.2
156.09279	1.6
157.10109	22.2
159.11667	30.3
161.09572	6.2
161.13229	21.0
163.11165	4.4
163.14781	2.7
168.09297	4.2
169.10066	15.6
171.11658	22.2
173.09459	1.2
173.13213	23.9
175.11209	4.9
175.14815	16.9
181.10158	1.5
181.65819	1.1
183.11665	17.6
183.28777	1.2
185.13225	14.5
187.11166	2.4
187.14824	14.6
189.12727	3.0
189.16380	6.3
191.14212	1.2
197.13220	11.7
198.14331	1.2
199.14803	7.2
201.12717	5.9
201.16319	19.9
203.14127	1.6
205.15840	1.4
211.14754	10.2
213.16347	5.0
215.14279	5.2
225.16386	6.6
239.17854	4.5
241.19472	2.3
243.17397	1.6
243.21083	6.0
257.18979	6.1
257.22626	1.6
267.21017	25.8
285.22086	23.5
303.23157	5.5
359.25638	2.8
362.20731	1.5
377.26746	14.5
521.30646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.0
53.03926	1.1
55.01861	5.1
55.05502	1.1
57.03421	1.3
61.02889	0.6
61.05793	0.5
63.76984	0.7
65.03923	1.0
67.05511	0.9
69.03429	5.2
71.01350	6.3
71.15460	0.6
73.70439	0.7
79.05475	9.5
81.03402	2.4
83.04961	0.7
85.02892	15.3
89.42220	0.6
91.05473	7.0
93.07026	3.8
95.04964	6.2
97.02866	3.7
97.06563	1.0
99.04465	1.1
103.05451	31.0
104.05779	4.3
105.07030	11.2
106.07322	0.9
107.04944	63.9
107.08603	1.4
109.02882	1.1
109.10239	0.8
110.03580	0.7
111.04422	4.0
115.05460	5.3
117.03333	0.9
117.06997	2.7
119.04930	4.4
120.05684	1.1
121.06467	8.8
122.07321	0.7
123.04433	6.2
125.05968	6.7
127.03876	1.0
131.04907	28.9
132.05222	7.5
133.02814	5.8
133.06488	6.7
134.06844	0.7
135.04399	11.5
135.08043	17.0
137.05962	27.1
138.06721	3.5
141.05421	1.6
145.07539	0.9
146.03621	2.7
147.04416	7.1
147.07994	0.8
148.05186	1.0
149.05972	12.3
150.06783	4.8
151.03891	88.2
151.04961	5.2
151.07532	3.2
153.05444	9.2
161.05980	18.8
161.09592	3.6
162.06317	0.8
163.03880	7.4
163.07516	100.0
164.08012	1.5
165.05464	5.4
165.09065	0.9
167.07028	7.3
174.06691	0.9
174.40337	0.7
175.07571	3.7
177.05443	5.6
178.06216	23.7
178.26953	0.7
179.07019	5.6
181.08569	26.1
182.09370	4.6
189.05377	1.6
189.09087	8.1
191.06979	2.9
192.70746	0.7
195.06512	10.9
196.07315	8.9
203.07175	0.7
207.10136	9.9
215.07239	0.8
235.09624	0.8
269.04541	0.8
283.09641	2.6
283.13229	1.6
297.11069	1.1
309.11087	1.2
311.12677	1.7
327.12274	8.9
329.13770	6.7
341.13757	1.3
347.15091	0.9
359.14841	11.1
377.15900	76.6
400.25842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05495	0.7
57.03407	0.4
57.66910	0.3
64.33265	0.3
65.03931	0.5
69.03398	1.7
71.04961	0.4
72.58267	0.3
74.95526	0.3
77.44704	0.3
79.05472	1.5
81.03400	0.8
81.07018	0.8
83.04958	0.7
85.02896	4.3
91.05463	2.2
93.03380	0.4
94.04150	1.4
95.04940	0.6
97.02867	1.9
103.05454	6.2
105.07027	0.5
107.04941	7.5
109.06500	2.2
111.04433	2.1
115.05389	3.6
117.07001	1.4
119.04938	0.8
122.03629	6.6
123.04401	0.8
125.05987	2.9
126.02404	0.3
127.03835	0.5
128.06171	3.5
129.06985	22.6
131.04916	16.7
131.08577	0.8
133.06526	0.6
134.77194	0.4
135.04419	0.7
137.02405	1.4
137.05960	100.0
138.06262	0.3
143.04909	3.5
144.05676	0.5
145.04907	0.4
145.06429	2.5
146.03622	0.8
147.04405	0.6
147.08058	0.5
149.05986	2.0
151.03873	1.3
151.07547	1.5
153.05461	4.8
157.06465	18.8
158.07269	1.4
159.08046	0.4
160.05162	6.9
161.05968	3.4
162.06712	0.4
163.03870	0.6
163.07521	7.4
165.06914	0.5
169.87962	0.4
171.08090	0.4
172.05182	4.0
174.06738	8.3
175.07521	30.8
177.09131	1.4
179.07018	0.5
183.08034	0.5
185.05951	0.7
187.07515	33.7
189.09076	23.1
191.08522	1.9
199.07521	0.8
202.07805	0.5
203.08553	3.2
205.08504	2.5
207.10175	1.8
211.07539	3.1
217.08549	6.6
217.10446	0.4
219.08051	5.0
219.10039	0.5
220.08797	0.5
221.05931	0.5
227.06866	0.7
231.08018	4.7
232.08856	0.5
233.06004	0.4
234.98149	0.4
235.07495	0.6
235.09657	0.7
236.08264	1.2
237.09181	0.4
239.07083	2.1
240.07800	0.7
247.07465	3.9
248.08267	4.3
251.10602	2.7
253.08459	0.4
255.06558	1.6
256.07251	0.4
259.07492	1.4
260.08356	0.4
263.07086	0.4
263.07864	0.5
263.10654	4.3
264.07819	1.3
265.08627	0.8
266.09143	0.4
267.06299	0.5
270.08817	3.2
271.09659	2.0
276.07834	1.4
277.08469	0.6
279.10092	6.1
280.10883	0.6
281.08133	0.6
283.09607	2.7
291.10077	8.0
292.10764	0.5
293.08044	1.3
294.08688	0.3
296.10455	2.6
299.09229	0.5
308.10178	0.5
311.09152	0.7
311.12674	11.0
323.09076	0.8
323.12714	11.0
329.10272	0.8
329.13733	2.1
338.18951	0.4
341.10095	2.5
341.13760	19.4
359.15063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03931	1.2
55.01870	4.6
57.03441	0.8
57.86171	0.5
59.33828	0.6
61.02904	3.3
63.52311	0.7
63.87626	0.5
65.03915	1.2
69.03424	7.3
71.04974	0.9
73.02895	0.9
74.83352	0.6
79.05492	4.5
81.03394	3.6
85.02894	20.8
91.05465	51.1
94.04182	0.7
95.04919	3.4
97.02865	5.5
99.04390	0.6
103.05456	50.4
105.03371	2.6
105.07015	37.7
107.04932	3.6
108.34669	0.7
109.02876	1.0
109.06519	1.3
115.05420	6.5
117.07003	1.4
118.04135	0.7
119.04923	80.6
119.08604	0.9
122.03633	4.6
127.03897	3.4
128.06262	0.8
129.06947	2.3
130.04149	1.1
131.04912	100.0
132.05640	0.9
133.02838	39.1
133.06471	36.0
135.04419	1.1
136.05215	1.1
137.05959	74.4
143.06003	1.4
144.05667	1.0
145.04947	2.4
146.07243	5.7
147.04405	27.6
147.08000	3.5
149.05980	3.1
150.06744	1.2
151.07524	30.4
157.06493	1.1
159.08076	6.0
161.05956	60.5
162.06700	5.0
163.07524	19.9
165.05473	9.8
165.06889	1.0
172.05183	6.7
175.07542	16.4
177.05409	3.0
177.09155	0.9
179.07010	42.0
187.07520	19.1
189.09206	1.0
190.07767	2.5
191.08548	5.1
196.06078	2.6
197.06287	0.7
199.07533	2.8
203.08649	1.3
217.08586	6.0
219.08015	7.6
231.07983	2.9
236.08345	0.8
247.07550	2.7
251.10591	10.6
259.07516	2.6
263.10593	1.0
263.40894	0.7
264.07938	0.9
279.10056	8.1
291.10080	3.6
293.11826	0.7
297.11346	0.9
311.12729	30.7
313.14270	1.4
323.12787	3.3
323.36398	0.9
341.13831	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	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01856	1.9
62.36771	0.4
63.73811	0.4
65.03930	0.7
69.03411	2.1
71.11674	0.5
77.20776	0.5
79.05467	2.3
81.03390	0.9
81.07041	0.9
85.02882	6.9
89.03903	0.7
91.05463	18.9
93.07037	0.7
94.04166	1.2
95.04932	1.9
97.02864	2.5
102.04646	0.7
103.05452	28.3
105.03362	3.1
105.07014	11.0
107.04951	4.0
108.05704	0.7
109.02849	1.9
109.06524	5.1
111.04421	2.4
115.05420	4.1
117.03341	0.5
117.06999	2.2
119.04920	21.9
119.08584	0.8
121.06493	2.9
122.03648	4.0
123.04396	3.1
123.08072	1.9
124.05187	2.5
125.05981	1.9
127.03861	1.8
128.06189	2.5
129.06987	10.1
130.04135	3.4
131.04909	72.9
133.02840	7.4
133.06465	9.6
135.04401	4.1
137.05960	100.0
139.03888	11.9
143.04904	0.8
143.05977	0.6
145.06462	2.3
146.03629	0.7
146.07210	0.9
147.04402	16.3
147.08035	2.0
149.05951	6.5
150.06729	8.0
151.03944	0.7
151.07532	9.6
152.08281	0.7
153.01884	0.7
153.05460	3.2
154.36177	0.5
157.06471	10.2
158.07294	0.6
159.04410	3.7
159.08052	2.3
160.05161	3.5
161.05951	24.0
162.06721	13.5
163.03880	3.9
163.07513	26.2
165.05458	3.3
165.06807	0.6
172.05191	2.6
172.16940	0.5
174.06747	3.9
174.48210	0.5
175.07532	21.6
177.05399	1.9
177.09154	0.8
179.07027	7.1
179.08485	1.4
180.07787	2.4
187.03902	13.4
187.07510	19.9
189.09065	13.8
191.03371	0.8
191.08531	1.0
193.08562	0.9
199.07495	0.8
203.08540	2.0
205.04890	4.3
205.06561	1.6
205.08633	3.3
207.08058	2.2
207.10045	0.9
211.07611	0.7
217.04991	0.7
217.08444	3.7
219.08051	5.3
219.10008	0.8
223.07442	0.8
231.07991	2.0
233.06042	1.0
234.06789	0.7
235.07539	1.0
235.09595	0.7
236.08260	0.5
237.09035	0.5
247.07562	3.2
248.08316	2.9
251.07018	0.9
251.10645	3.1
255.06644	0.6
259.07574	0.6
261.05383	0.7
263.06830	0.9
263.10669	2.1
264.07748	0.7
265.08545	1.2
270.08792	1.9
271.09631	0.8
277.08414	0.7
279.06815	0.8
279.10147	4.0
283.09671	1.9
291.06766	0.9
291.10117	6.2
293.08014	1.9
296.10391	1.0
305.08051	1.1
309.07590	2.5
309.11163	3.1
311.09070	3.9
311.12772	9.4
323.09164	1.7
323.12714	5.5
329.10291	0.6
329.13892	2.5
332.01572	0.5
341.10077	6.1
341.13828	11.8
359.15228	0.6
527.77362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01877	4.9
56.05944	0.5
57.03431	1.1
59.89394	0.5
61.02912	3.5
61.55823	0.6
63.46494	0.6
65.03929	1.0
68.78295	0.6
69.03408	4.5
73.02881	0.8
79.05470	4.1
79.98260	0.6
81.03392	2.6
81.07031	1.1
83.04931	0.6
85.02897	18.2
91.05466	43.7
92.08749	0.7
93.06988	0.8
94.04185	0.9
95.04923	2.4
97.02869	5.4
102.04676	1.2
103.05453	49.7
105.03360	3.4
105.07017	29.0
105.07529	0.8
107.04945	4.8
109.02872	1.1
109.06531	4.6
115.05444	6.6
117.06996	1.4
118.04111	0.7
119.04926	69.0
119.08567	1.2
121.06496	1.6
122.03626	4.8
123.04419	1.4
127.03889	1.6
128.06239	0.7
129.06970	2.9
130.04121	1.2
131.04909	100.0
133.02838	29.5
133.06471	28.1
135.08038	0.8
136.05148	1.4
137.05962	75.4
143.06035	2.6
144.05606	0.8
145.04924	1.5
146.07265	3.5
147.04388	27.5
147.08008	1.5
149.05969	5.9
150.06752	1.3
151.07532	31.8
157.06554	0.7
159.08063	6.1
160.05168	1.4
161.05956	57.2
161.09566	0.8
162.06749	6.3
163.03815	1.0
163.07523	26.0
165.05450	10.2
172.05190	5.1
175.07501	15.2
177.05418	3.2
177.09006	0.8
179.07013	40.5
187.07509	19.7
189.09148	1.5
190.07797	1.0
191.08488	5.1
193.08568	1.4
199.07501	1.1
203.08614	1.0
205.08559	3.1
217.08614	5.9
218.07306	0.7
219.08066	7.2
231.07967	1.5
235.07532	0.7
235.09656	2.7
247.07497	3.5
251.10649	8.7
259.07388	0.9
265.08505	0.8
279.10144	7.9
283.13345	0.7
288.50421	0.6
291.10098	5.6
296.10306	1.3
297.11118	1.1
301.28113	0.7
309.11108	3.8
311.12708	26.7
313.14236	1.1
323.12628	3.8
327.12195	0.7
341.13696	5.3
359.15085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01862	1.6
61.02915	0.8
65.03907	0.8
69.03417	2.9
79.05473	1.6
81.03409	1.2
81.07021	0.7
83.04981	0.7
85.02883	4.3
87.00809	0.8
89.03918	0.8
91.05457	16.8
94.04174	1.1
95.04942	2.5
97.02881	0.9
99.00066	0.7
99.04414	0.8
102.04586	0.9
103.05446	29.2
105.03378	2.5
105.07009	7.4
107.04929	3.8
109.06509	4.7
111.04408	1.5
115.05418	2.8
117.07010	0.7
119.04917	21.3
121.06492	3.3
122.03612	4.5
123.04395	3.1
124.05211	5.9
125.05941	2.6
127.03922	1.4
128.06230	1.5
129.06981	9.7
130.04118	5.1
131.04904	92.6
132.58949	0.6
133.02834	10.9
133.06470	5.6
135.04375	5.3
137.05956	100.0
139.03894	11.7
143.04863	2.3
143.05913	0.7
144.05695	0.8
145.02809	0.8
145.06444	2.2
146.03644	1.0
147.04388	17.1
149.05954	9.0
150.06743	11.7
151.03899	1.2
151.07550	8.0
152.08372	0.8
153.05434	2.5
157.06468	11.4
159.04347	5.9
159.07985	1.1
160.05161	3.3
161.02286	0.9
161.05933	14.7
162.06732	19.6
163.03914	6.8
163.07510	29.4
165.05473	1.3
172.05188	2.9
174.06750	5.3
175.07516	18.1
177.05458	2.8
177.06862	0.7
179.03409	0.8
179.07085	4.5
180.07808	3.1
181.04897	1.2
187.03864	27.3
187.07487	18.7
189.07278	1.2
189.09044	13.2
191.03355	2.4
191.08472	1.3
193.08569	0.9
199.03809	1.0
203.08527	0.8
205.04832	6.6
205.06476	1.8
205.08598	2.8
207.08133	1.3
208.92534	0.6
217.04849	1.1
217.08568	3.5
218.07034	0.6
219.08076	3.4
221.06001	0.9
231.08017	2.7
233.05930	3.3
235.07544	2.4
247.07469	2.9
248.08289	1.3
249.09251	0.7
250.05988	0.7
251.06859	0.9
251.10680	3.1
259.07468	1.0
263.07016	2.8
263.10529	2.3
265.08533	1.2
270.08774	1.2
271.09552	1.2
279.06638	1.2
279.10117	4.8
283.09601	1.5
291.06540	2.3
291.10141	5.0
293.08032	4.1
305.08032	3.3
308.10352	0.8
309.07483	2.8
309.11172	2.6
311.09061	9.0
311.12762	7.0
323.09015	4.5
323.12750	5.8
329.10089	0.8
341.10086	11.6
341.13824	8.4
349.05319	0.7
359.11194	0.7
368.80472	0.7
491.44205	0.7
506.17154	0.7
530.52313	0.6
553.49194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05627	4.3
55.01843	5.5
55.05499	8.7
57.03427	5.4
60.64340	4.4
61.02912	6.6
67.05495	21.4
67.90505	4.0
71.08614	71.8
79.05475	30.5
81.03359	5.2
81.07047	9.9
83.04942	4.3
83.08606	4.7
91.05454	56.6
92.08856	35.0
93.07005	25.0
95.04930	6.6
95.52302	4.9
97.06489	5.3
99.08088	41.9
99.70854	5.6
105.07011	33.1
117.06988	37.8
119.08544	26.7
129.05493	6.7
129.07002	21.4
131.08551	10.8
141.07008	7.2
143.08536	11.8
150.76134	4.5
151.11137	28.2
153.12669	5.2
157.10114	6.1
169.10091	22.2
174.29721	5.0
217.15898	19.1
217.86839	4.8
375.25296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12677	1.3
53.03943	12.5
54.81635	1.6
55.01870	13.4
55.05500	7.1
56.69526	1.8
57.03427	7.7
57.22815	1.6
58.06586	2.2
58.79274	1.2
59.04987	4.0
61.02906	10.8
63.23751	1.5
65.92984	1.9
67.05481	3.1
68.99784	2.0
69.03423	48.4
69.07073	5.6
71.04968	4.3
73.02895	9.0
74.89563	1.6
79.05455	8.3
81.03404	41.0
81.07014	8.0
83.04961	11.8
85.02893	100.0
87.00815	44.0
91.05465	2.4
91.60481	1.7
93.07028	7.2
95.04949	3.5
95.08587	3.1
95.39494	1.8
97.02870	41.2
97.06532	17.7
99.04431	16.8
105.01846	31.0
106.06535	19.6
107.04964	2.0
109.02874	36.4
109.10152	2.3
111.04380	2.2
115.34637	1.7
117.01842	2.8
118.03241	11.8
121.10151	2.4
123.07985	2.1
127.03908	65.9
129.01804	2.6
133.10150	2.1
135.04340	2.4
137.02379	2.5
137.05966	4.0
137.93855	1.7
143.11766	3.4
145.04965	23.5
145.10001	2.1
147.02805	2.7
147.11761	1.6
151.03917	8.2
151.07550	2.1
154.56407	1.6
159.02896	20.2
159.04115	2.5
161.05978	3.1
163.03891	14.0
164.33130	2.0
173.02284	3.4
201.78204	1.6
213.03943	2.9
215.07021	10.4
231.04935	21.8
249.05913	9.9
259.09604	19.0
260.10123	2.7
266.09512	3.5
329.13992	2.4
348.07327	2.2
366.08319	7.5
389.49384	1.8
451.13440	10.4
465.57468	1.8
556.19202	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	555.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77811	0.4
57.66153	0.5
59.49146	0.5
60.23383	0.4
62.18325	0.4
69.03406	0.9
78.86834	0.5
83.04918	0.6
84.69077	0.5
85.02876	0.6
85.06538	2.1
92.85147	0.4
94.97676	0.5
97.02868	1.2
100.02184	3.4
101.00870	1.0
109.37608	0.5
115.03934	0.8
116.98661	0.5
119.01913	7.2
129.05450	0.7
133.03500	1.9
137.02989	0.9
140.81369	0.4
140.82623	0.5
145.03436	2.9
145.04648	0.9
146.02657	5.0
153.78314	0.5
155.67487	0.6
157.03427	1.1
159.05031	1.0
161.02930	5.4
163.03009	0.5
163.04475	3.4
173.06564	2.9
175.04512	4.5
181.05582	3.3
203.07710	0.5
205.05562	46.5
219.07027	0.7
227.08885	3.6
229.06812	2.2
245.08720	5.3
245.10822	0.7
247.06543	0.9
251.95065	0.5
259.07559	1.8
267.09198	5.4
270.43396	0.5
289.08902	100.0
290.09149	0.9
351.11368	0.8
402.96997	0.5
411.13525	4.6
418.88089	0.6
428.24240	0.5
546.55792	0.5
555.17676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.8
54.48295	1.7
55.01857	2.3
55.05491	5.5
57.03421	4.8
57.07067	2.5
57.12458	1.7
61.68404	1.9
67.05495	18.0
69.07043	10.1
71.08244	3.7
71.08622	75.8
72.50792	2.2
73.02880	2.6
75.42725	1.9
79.05498	17.4
81.07034	15.9
83.04973	10.3
83.72109	2.1
86.90394	2.3
91.05468	40.5
91.53183	2.1
93.07014	14.6
94.17632	2.3
95.04945	5.8
95.08569	10.2
97.06532	4.0
99.08086	36.8
102.70863	2.2
103.05405	2.9
105.07011	20.4
107.08607	4.6
109.06565	2.5
117.07021	31.4
119.08549	26.0
121.06424	4.8
123.07995	3.9
128.06203	9.4
129.06978	17.1
131.08522	12.3
131.89890	2.5
133.10135	4.0
135.08006	4.8
135.11507	2.1
141.06979	9.3
142.07817	2.9
143.08568	19.7
145.10124	9.7
151.11151	35.0
154.07764	2.9
155.08574	3.9
157.10152	4.8
159.11703	4.3
161.09615	4.0
169.10091	16.7
175.11395	2.1
181.10104	2.6
183.11665	2.4
185.13194	10.4
187.11185	15.0
203.14279	4.6
217.15878	15.3
235.17018	2.7
241.19525	2.9
255.35930	2.4
283.20410	4.0
375.25262	100.0
444.91721	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	554.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65420	7.0
51.25293	7.7
53.12471	7.4
55.05510	22.3
57.07083	8.4
67.05489	61.1
69.07054	39.9
77.14395	8.9
77.32742	8.5
79.05464	22.7
81.07047	100.0
83.08617	17.3
91.05828	18.9
93.07016	51.7
95.08581	45.5
105.07016	63.5
107.08591	14.4
109.10206	13.1
119.08575	51.0
122.44444	8.5
131.08568	12.1
133.10136	13.2
142.07785	10.3
143.08540	12.9
145.10149	17.0
147.11652	18.8
159.11668	9.5
225.04236	15.6
337.27344	40.1
381.10010	10.2
439.34668	13.0
471.83957	10.3
504.58902	12.6
519.40082	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	554.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	40.0
64.78988	3.0
65.09653	3.9
67.09971	3.1
69.07045	5.1
71.08622	38.9
73.06474	4.0
83.08621	5.6
85.10159	20.4
89.06020	100.0
91.05770	25.0
103.65818	3.6
133.08604	39.7
177.11203	5.1
223.06253	3.8
225.04256	9.4
228.57112	3.8
293.37775	4.3
299.06107	5.2
327.20081	7.7
355.07056	4.1
359.17599	3.9
371.09796	4.7
432.98734	3.9
537.43286	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	554.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.8
55.05514	37.9
67.05494	38.8
69.07072	8.3
72.28472	4.1
79.05476	59.0
81.03407	21.6
81.07046	77.3
83.04979	10.3
83.08614	29.7
91.05477	37.4
92.54587	4.0
93.07034	30.4
94.53633	5.0
95.04962	22.8
95.08587	17.5
97.10155	28.9
105.07021	26.5
107.04936	17.7
107.08617	22.1
109.06544	9.2
109.10148	7.1
111.04443	18.3
111.08034	4.6
113.21426	4.5
114.89446	3.9
117.06986	20.0
119.08546	45.0
121.06508	5.7
121.10095	7.7
123.08076	6.5
125.09638	16.3
131.08553	26.4
133.10147	10.6
135.08047	9.9
145.10109	19.3
147.08057	18.5
149.09624	5.5
150.71793	5.3
153.09094	6.1
153.12750	5.6
157.10117	10.1
161.09622	8.0
163.11153	6.8
181.31029	4.3
189.11235	9.1
193.12285	18.1
211.13304	24.4
245.18880	5.6
273.18466	25.9
291.19507	100.0
359.82980	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	554.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01850	1.2
55.05270	1.2
55.05510	30.1
57.03424	1.8
57.07057	5.7
61.03644	1.0
65.03931	2.2
67.05491	20.4
69.03407	9.2
69.07057	23.1
71.04964	4.2
76.15233	0.9
79.05468	8.5
81.03410	4.0
81.07042	32.0
81.07524	1.3
83.04975	8.4
83.08596	6.6
85.02891	7.4
85.06521	2.5
85.52061	0.9
91.05463	5.8
93.07021	13.9
93.48780	1.0
95.04954	100.0
95.08590	29.3
97.02872	4.3
97.06523	16.2
97.09525	2.3
97.10152	70.5
101.06019	1.1
103.25900	1.1
105.07020	10.8
107.04947	1.4
107.08578	11.3
109.06498	4.2
109.10142	18.3
111.04413	5.1
111.11710	1.4
117.06981	2.2
119.08559	8.4
121.10126	10.2
123.08057	5.7
123.11668	12.1
124.07555	1.1
125.06011	1.5
125.09619	14.5
126.09122	5.1
131.08522	1.7
133.10109	6.2
135.08040	4.7
135.11682	7.0
137.05991	1.2
137.09610	1.5
139.11168	1.1
143.10660	18.5
145.10098	5.9
147.11647	5.3
149.09584	2.1
149.13234	4.0
151.07497	1.2
159.08035	1.8
159.11699	1.6
160.76791	1.1
161.02390	2.4
161.09627	1.4
161.13187	1.7
163.03879	5.2
173.02306	2.0
173.13297	1.3
179.17896	1.1
189.11194	6.1
198.04494	0.9
215.06978	5.1
220.75510	1.1
241.08490	1.4
259.09668	7.7
260.09848	1.5
285.22092	1.1
291.22983	3.5
303.23160	13.8
309.24289	9.1
321.24207	33.8
339.25253	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	554.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57541	2.0
55.01875	3.0
55.05264	3.1
55.05508	50.9
57.03425	4.8
57.07067	4.4
63.83126	1.7
67.05492	20.6
69.03412	15.2
69.07053	52.2
71.04968	8.2
71.08617	2.2
71.85310	1.9
75.86150	1.8
79.05468	13.9
81.03410	7.6
81.07040	78.3
83.04972	9.1
83.08632	14.7
85.02903	14.9
85.06542	2.4
91.05471	10.2
92.88699	1.9
93.07022	34.2
95.04950	27.6
95.08594	64.8
97.02888	3.9
97.06519	26.8
97.10149	100.0
99.04418	2.7
105.07004	23.8
107.08579	34.9
109.06531	5.1
109.10152	36.5
111.08085	3.3
111.11701	3.7
117.07011	2.9
119.08578	24.1
121.06506	2.9
121.10122	26.2
123.08034	7.5
123.11698	36.0
125.09607	20.7
126.09119	11.6
126.14208	2.2
127.03899	3.0
127.07527	2.2
127.11075	2.1
131.08531	4.2
133.06529	2.3
133.10103	13.6
135.08038	3.3
135.11647	16.1
137.02339	13.8
137.05928	2.7
137.09659	3.6
137.13235	4.2
139.11151	3.6
143.10654	25.5
145.10101	11.7
147.04437	2.5
147.11652	16.5
149.09613	3.6
149.13264	12.1
151.11192	2.6
151.14818	3.5
159.11676	9.3
161.02325	3.5
161.05995	2.8
161.13210	10.8
163.03879	11.9
163.11211	2.7
164.04213	3.8
165.12708	2.2
167.14294	3.5
173.02499	3.6
173.13214	3.7
175.14813	2.4
177.16396	3.2
179.14313	3.9
187.14735	2.8
189.11237	3.5
189.16345	3.4
195.17444	2.8
201.16364	3.9
207.02681	2.6
209.08038	4.4
215.06961	9.4
259.09653	16.4
271.02332	4.8
272.02637	4.4
275.23853	2.4
293.24600	3.2
303.23135	43.8
309.24069	14.8
321.24200	83.1
327.25070	3.7
339.25214	39.0
357.25946	3.6
448.56998	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	554.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.6
53.03915	2.5
55.01873	2.3
55.05505	41.7
57.03424	3.3
57.07063	9.6
61.02942	1.5
64.73300	1.7
67.05499	31.8
69.03422	15.2
69.07055	70.8
71.04974	9.8
71.08604	3.3
79.05485	23.6
81.03401	9.5
81.07037	100.0
82.86533	1.4
83.04967	17.5
83.08617	28.8
85.02889	8.0
85.06525	2.7
86.96122	1.6
91.05455	17.2
93.07024	52.1
95.04947	23.7
95.08588	78.5
97.02843	6.7
97.06509	37.5
97.10150	39.6
99.04446	2.1
99.08092	3.9
105.07010	35.9
107.08583	54.0
109.06495	9.7
109.10150	58.5
111.08077	9.9
111.11710	8.8
111.53973	1.6
111.88213	1.5
113.09595	2.4
115.11152	2.6
115.48385	1.9
117.03341	2.0
117.07001	2.9
119.08571	33.7
121.06480	3.5
121.10128	47.6
123.08021	7.1
123.11688	24.6
125.09621	9.7
127.03873	1.9
129.07047	2.2
131.08545	12.8
133.10098	21.9
135.08070	6.0
135.11656	22.4
137.09634	9.9
137.13220	4.1
137.37865	1.8
139.11172	7.0
141.09105	1.8
143.08534	1.9
143.10625	2.4
145.10118	17.6
147.04434	2.1
147.11650	26.0
149.09578	4.1
149.13225	18.5
151.11168	6.9
153.12682	3.1
159.11642	12.3
161.13248	16.2
163.03882	7.1
163.11143	7.5
163.14760	6.9
164.04156	2.0
165.09122	8.9
165.12718	7.9
165.16336	2.0
173.02292	3.1
173.05916	2.0
174.02617	1.9
175.14848	3.1
177.12761	2.7
177.16370	13.6
187.07542	1.7
187.14801	8.2
195.17540	14.1
201.16432	2.8
203.18001	2.2
207.02863	2.2
211.18806	1.8
213.18471	10.3
215.06978	8.6
223.16890	2.0
237.00122	1.8
241.08659	2.7
255.01735	2.2
257.22598	8.7
259.09662	8.2
259.18921	4.0
264.24268	1.9
267.21201	2.1
271.02335	9.5
272.02631	10.0
275.23691	18.4
285.22012	3.9
291.23004	2.7
293.24728	12.4
303.23148	97.1
309.24274	3.7
315.93973	1.6
321.24185	68.9
339.25262	44.5
392.08292	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	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01857	14.7
55.05505	46.6
57.03429	9.8
57.07068	17.5
61.02909	5.2
67.05503	47.8
69.03416	57.0
69.07056	94.2
71.04967	15.1
72.84100	2.2
73.02931	3.3
75.16740	2.4
75.87653	2.3
77.23704	2.6
79.05478	27.0
81.03398	39.8
81.07037	82.4
83.04942	4.1
83.08608	59.2
85.02893	100.0
85.06520	5.9
85.10126	3.0
87.00817	45.6
91.03931	2.8
91.05459	22.5
93.07026	36.2
95.04929	2.8
95.08589	67.0
97.02864	37.9
97.06509	45.5
97.10155	51.3
99.04441	16.7
99.08072	4.2
105.01845	28.8
105.06992	22.1
107.08591	24.8
109.02863	32.8
109.06467	4.0
109.10144	38.9
111.08080	4.1
111.11713	18.9
115.03908	2.8
117.07017	2.8
119.04945	4.5
119.08561	17.0
121.10115	38.7
122.06021	13.1
123.08025	2.6
123.11662	18.3
124.07566	3.8
125.13245	4.5
127.03892	58.7
133.10120	21.7
135.04381	5.4
135.11681	31.2
137.05992	16.8
137.09572	4.0
137.13242	6.3
139.11176	6.1
145.02884	3.5
145.05016	4.7
147.04393	11.8
147.11647	25.1
148.06815	3.0
149.13281	3.2
151.11203	4.2
153.01830	2.8
153.12701	12.2
157.12224	3.3
159.02861	9.9
159.04387	2.9
159.70390	2.7
161.13293	24.0
163.03860	40.2
165.12688	3.3
173.02283	9.7
175.07475	5.5
175.14944	3.7
177.16449	3.7
179.14311	4.9
193.19493	6.1
215.07068	12.9
217.19481	40.5
231.04953	10.4
235.20555	56.8
253.21600	94.7
259.09592	37.5
269.04453	2.8
271.02383	16.4
271.22626	90.8
272.02667	15.3
289.23669	16.3
297.03830	4.0
297.11096	4.3
306.18143	4.2
339.21170	2.8
375.01410	3.5
389.02942	3.6
392.08725	3.4
435.03333	6.1
459.17761	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	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.12778	0.6
59.26930	0.6
67.01865	1.0
67.04995	0.7
67.05474	0.7
68.99780	0.7
69.03416	4.0
69.07056	0.6
71.04945	0.6
79.05464	0.9
81.03406	2.7
81.07015	1.4
85.02893	5.9
85.06526	0.7
87.00799	0.8
91.05471	2.4
93.07029	1.1
94.04166	1.4
95.04929	2.1
95.08604	0.9
97.02887	1.4
97.68001	0.6
98.11758	0.6
99.04450	0.7
100.56983	0.6
103.05460	9.1
105.07014	3.9
107.04953	5.2
107.08569	1.1
109.02879	2.9
109.06499	2.4
115.05449	2.3
115.07642	0.7
117.07021	1.2
119.04961	2.6
119.08558	1.4
121.02843	1.4
122.03625	4.5
123.04417	1.3
124.07570	1.5
127.03894	7.6
128.06221	1.2
128.44081	0.6
129.06992	7.0
131.04915	18.2
131.08496	1.0
133.06502	2.5
135.04407	3.1
135.07967	0.7
137.05963	100.0
137.09534	2.2
137.95457	0.6
139.03874	0.7
141.06996	0.7
144.05672	0.7
145.06561	1.1
147.04405	2.6
149.02361	7.0
151.03879	15.6
151.04921	0.9
151.07507	0.8
153.01823	32.8
153.05463	0.8
155.04915	11.0
157.06471	3.6
159.04456	0.7
161.05962	3.7
163.07530	17.1
167.03386	1.4
171.02873	8.4
172.05148	4.5
173.05983	1.0
183.04366	7.5
187.07538	10.1
189.05516	5.0
200.04649	11.7
203.07076	0.7
207.06514	23.8
215.07014	46.7
218.07254	1.2
219.08032	0.8
229.06430	2.9
231.05025	0.8
233.08018	19.6
237.09079	0.7
243.06549	4.0
246.06706	1.1
247.07565	0.9
251.83177	0.6
257.05981	2.3
261.08948	4.4
265.08514	1.3
271.05920	2.8
274.06134	1.4
278.09341	0.9
279.10028	1.1
289.07077	7.6
297.11099	1.4
306.08856	2.8
307.09705	1.0
311.12692	0.9
313.14310	0.9
321.11203	15.1
339.12231	39.1
339.16290	1.5
357.13202	3.6
375.14429	1.2
380.69373	0.7
401.07040	1.2
432.21097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51287	0.3
53.03917	0.8
55.01856	1.6
57.03404	0.8
61.02876	1.6
61.50787	0.3
69.03409	4.2
71.04953	0.5
73.02846	0.5
77.98894	0.4
81.03393	1.5
81.07014	0.6
83.04932	0.4
85.02428	0.6
85.02891	13.1
91.05428	1.7
95.04966	0.5
97.02858	4.3
99.04404	0.5
103.05450	0.7
104.99815	0.4
105.07015	0.7
106.07370	0.3
107.04910	0.9
107.08575	0.4
109.02832	0.5
109.06487	0.8
111.04359	0.9
115.05424	1.0
121.06445	2.3
122.03618	1.7
123.04325	0.4
125.05940	0.6
125.08265	0.5
127.03842	1.9
131.04892	0.8
133.06433	0.8
134.03616	0.5
135.04362	0.4
135.07980	0.6
137.05959	48.3
143.04890	2.9
145.04933	1.0
146.03607	0.8
147.04375	0.5
147.07991	0.4
149.05986	4.6
151.03789	1.0
151.07498	0.9
153.01785	5.2
153.05412	2.7
160.05110	0.8
161.05954	25.2
163.03860	1.9
163.07530	3.3
165.06970	4.3
167.08492	1.0
171.02850	2.0
175.07501	8.4
177.05447	0.8
179.06981	2.8
179.08513	2.0
180.08656	0.6
182.07234	1.7
183.08191	0.6
188.04657	5.3
191.07036	4.6
193.06491	11.7
194.07178	0.8
197.09535	2.8
203.07005	15.7
205.08549	3.3
207.07959	5.3
209.08067	0.5
210.06718	7.4
211.07487	2.1
221.05952	25.0
221.07936	1.4
222.06668	2.4
223.07375	0.7
224.08298	4.3
225.05664	0.8
225.09071	27.6
227.06998	0.5
233.07971	0.7
234.06757	0.9
235.07503	4.4
235.09586	1.6
237.05608	0.5
237.08945	0.6
238.06250	7.0
239.06967	1.7
239.10666	3.1
240.07487	0.5
241.08359	0.5
242.09340	1.0
249.09009	3.0
251.06976	1.9
252.07793	3.8
253.08556	50.6
254.09282	1.9
255.06595	3.6
257.11804	0.5
262.06271	0.7
263.06955	0.6
265.08572	2.5
266.09280	1.6
267.10120	15.7
269.07925	0.6
270.08737	5.3
272.10336	0.9
277.08560	8.0
280.07254	1.7
281.11554	0.5
282.08911	0.6
285.11163	100.0
289.07019	5.6
294.08902	3.3
295.09579	9.7
297.07904	0.8
297.11005	5.8
299.12650	1.0
309.11169	14.0
312.09970	1.0
313.10635	0.8
325.10645	0.6
327.12216	82.9
328.12421	0.5
339.12286	0.5
345.13269	79.6
357.13269	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	553.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35132	0.7
52.97898	0.7
53.00302	0.8
53.03947	1.2
53.47731	0.7
55.01869	1.1
55.05501	11.7
56.89295	0.7
57.03424	2.0
57.07059	5.5
57.07302	0.8
64.33803	1.0
65.03923	1.6
67.05495	26.5
69.03407	10.1
69.07058	11.3
70.29262	0.8
71.04984	13.1
79.05474	8.1
80.04999	62.6
81.03392	3.5
81.06588	1.8
81.07038	29.1
82.78871	0.7
83.04967	63.6
83.08604	5.3
85.02891	53.1
85.06542	7.4
91.05453	7.4
93.07027	26.6
95.04948	57.4
95.08588	22.0
97.02882	1.4
97.06518	10.5
97.10143	12.3
99.04459	3.8
99.08081	5.1
103.03893	0.9
103.05444	1.4
105.07003	16.9
106.06533	3.1
107.04929	1.2
107.08572	16.1
109.06485	9.5
109.10139	16.2
111.08079	5.5
113.05991	22.1
115.07546	1.1
117.06989	3.6
119.08561	17.5
121.10117	13.3
122.03600	1.3
123.08047	1.9
123.11660	7.7
125.05989	1.1
125.09608	1.8
127.07513	1.0
129.06996	2.0
131.03381	4.7
131.04915	1.3
131.08542	10.2
133.10121	16.7
135.07968	1.3
135.11659	9.0
136.07550	5.2
137.05956	20.9
137.09573	2.1
137.13385	1.1
139.11208	1.0
143.08554	2.0
143.10728	3.7
145.10117	13.3
147.11676	9.5
149.09608	1.7
149.13234	7.6
150.05455	1.6
151.03952	1.2
151.11168	6.6
156.09331	0.9
157.10117	4.0
159.04411	0.8
159.11667	7.5
161.05931	1.5
161.13243	3.4
163.03925	2.1
163.07497	1.5
163.11179	3.5
163.14833	7.3
164.07042	3.3
171.11684	3.6
173.13223	8.9
175.03964	1.1
175.07597	1.0
175.11241	1.7
175.14752	1.8
177.12714	1.6
182.08121	1.4
185.13243	1.6
187.07523	1.4
187.14783	0.8
189.05365	1.2
189.16379	4.7
191.14262	16.8
193.15837	1.5
199.14815	1.3
200.04671	1.2
201.05461	1.9
205.06525	1.9
206.06749	1.0
207.17424	8.4
209.13469	1.1
209.15326	34.7
210.07594	100.0
211.07838	1.4
215.06970	9.5
217.08583	1.1
225.18388	3.3
227.16336	22.3
233.08057	3.2
234.06155	1.7
237.08975	1.1
243.19467	2.1
255.20987	1.1
259.09607	2.1
265.08612	2.0
266.08960	5.3
277.00500	0.8
277.10785	1.2
292.35004	0.9
293.07846	3.8
294.08386	3.3
301.21619	7.6
306.97003	0.9
307.09592	2.1
308.09973	4.5
319.22739	9.3
321.11188	1.9
325.10602	5.0
326.10931	10.5
337.23633	8.0
339.12207	5.9
343.11755	1.9
344.11954	6.3
355.24728	10.2
373.25769	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	553.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76973	1.1
53.03935	1.3
55.01863	12.2
55.05501	9.8
57.03430	9.2
61.02904	3.0
63.93822	1.0
66.12730	1.2
67.05487	22.5
69.03423	2.7
69.07051	7.7
73.02905	1.8
77.49924	1.1
79.05477	36.7
81.03401	2.9
81.07035	21.3
83.04963	6.3
83.08624	1.7
85.02917	3.0
90.23451	1.4
91.05463	42.0
93.07023	32.0
95.04955	8.3
95.08582	16.5
97.02872	1.8
97.06513	6.2
103.05460	2.8
105.07020	30.9
107.04926	12.6
107.08599	13.3
109.06506	1.9
109.10130	2.8
115.05420	2.0
116.06284	1.9
117.06999	24.2
119.08537	16.4
121.06483	8.2
121.10111	14.9
123.08064	5.4
128.06178	2.3
129.06966	20.6
129.73534	1.4
130.07784	1.5
131.08542	31.7
133.06525	9.0
133.10089	15.9
135.08003	5.3
141.06967	8.2
142.07759	2.2
143.08534	11.5
145.06450	8.4
145.10126	12.9
147.07994	10.7
147.11662	4.9
149.09607	7.4
149.84715	1.3
153.06993	2.7
155.08537	13.5
157.10103	9.0
159.08052	7.9
159.11690	6.3
163.11151	2.6
166.63846	1.3
167.08527	1.6
169.10074	9.1
171.07957	1.3
171.11687	10.0
173.09644	7.8
173.13211	3.1
175.11150	2.2
179.08540	2.0
181.83673	1.2
183.11650	3.1
185.13190	1.4
187.11198	2.7
187.13179	1.6
187.14830	5.8
189.12759	2.5
194.79230	1.3
197.13228	7.5
199.14705	1.7
201.12721	2.4
215.14326	8.8
253.19531	2.4
281.18964	2.9
299.20044	6.8
317.21088	2.0
373.23645	100.0
391.24881	1.4
553.29730	9.1
566.17902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56403	0.4
55.01866	3.3
55.05511	2.5
57.03421	1.2
57.07096	0.4
61.02915	0.6
67.05497	7.0
67.51345	0.4
69.07058	2.1
71.04994	0.5
79.05475	11.4
81.03431	0.6
81.07047	6.5
83.01103	0.9
83.04978	1.0
83.08624	0.6
85.02905	1.0
85.07342	0.5
86.17869	0.5
91.05470	11.3
93.07027	11.1
95.01070	0.5
95.04970	2.7
95.08582	5.7
97.06526	0.6
105.07024	10.7
107.04942	2.0
107.08605	4.4
109.06499	1.9
109.10162	0.9
115.05444	0.8
117.06981	6.4
119.08568	5.6
121.06510	2.9
121.10137	2.8
123.08047	2.0
128.06192	1.1
129.06975	5.4
131.08549	11.6
133.06479	2.1
133.10112	3.8
135.08054	1.1
135.11659	0.6
141.06955	3.7
142.07793	0.6
143.08525	4.5
145.06485	1.1
145.10149	4.8
147.08060	2.7
147.11659	1.2
149.09633	2.9
155.08568	4.6
157.10121	3.4
159.08064	3.1
159.11714	2.1
161.09598	0.8
161.13310	0.8
163.11206	0.9
167.08563	0.9
169.10141	3.7
171.11665	4.5
173.09666	2.2
173.13261	1.2
175.11198	0.8
177.12746	0.6
181.10049	0.8
183.11737	2.2
185.04121	3.7
187.11116	0.6
187.14839	3.0
189.12766	1.1
197.13231	2.4
201.03671	1.7
203.05247	3.0
203.14398	0.6
207.11586	0.5
215.14201	3.4
253.19539	0.8
259.07910	3.0
271.20609	0.7
281.18958	2.6
299.20065	4.0
331.10092	3.3
359.12949	0.7
373.23663	28.4
391.24570	5.1
406.66153	0.5
415.19388	1.0
455.22763	0.8
483.22009	3.0
489.53241	0.6
503.93845	0.5
535.29114	0.6
553.29767	100.0
554.30365	2.1
574.28766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49578	8.3
52.93216	7.1
55.05497	17.7
57.03433	14.4
67.05505	68.5
69.07054	21.8
76.91824	8.1
79.05488	69.3
81.07042	100.0
83.04962	14.1
91.05421	15.3
93.07027	64.4
95.08574	55.5
97.06519	22.1
106.72809	9.5
107.08570	35.4
109.10152	22.1
126.06966	8.9
135.11691	39.3
138.74023	8.6
150.95085	9.4
205.22522	10.1
255.15912	40.1
269.08469	10.6
270.36301	9.1
313.89935	11.1
337.27313	71.1
517.39050	80.1
564.83325	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	553.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
56.96564	0.2
60.92187	0.3
61.02908	0.6
69.03421	15.8
71.04974	0.3
73.02897	0.4
73.68906	0.3
81.03404	1.2
85.02894	5.2
86.79042	0.3
97.02876	45.6
98.97575	0.4
109.02866	0.5
115.03915	100.0
116.98583	0.5
120.91081	0.3
127.03890	0.7
145.04897	0.3
158.02370	0.3
163.05994	0.3
167.02806	0.6
170.99637	0.5
237.02705	0.5
296.06537	0.4
296.57147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08960	2.0
53.03936	3.0
53.90918	2.3
55.01865	5.4
55.05507	36.0
67.05495	32.2
69.07063	14.9
79.05485	37.5
81.03401	10.1
81.07043	38.8
83.04959	4.1
83.08606	28.9
91.05462	41.1
93.07027	38.0
95.04941	45.6
95.08583	25.9
97.06526	4.0
97.10139	4.8
105.07016	55.0
107.04952	15.6
107.08569	24.5
109.10132	11.7
110.26645	2.6
111.08096	2.9
117.06990	18.5
119.08559	36.9
121.06495	3.5
121.10101	19.4
123.08048	5.0
124.24466	2.8
125.09603	4.4
129.06972	3.9
131.08524	19.9
133.10109	29.7
135.08028	5.9
135.11705	3.4
137.09637	4.0
143.08517	3.5
145.10107	22.8
147.11652	18.8
149.09604	31.1
151.11191	2.7
155.08493	3.1
159.11725	15.3
161.13301	2.2
163.11177	33.9
165.12689	2.4
169.10109	4.0
173.09666	3.1
173.13179	4.4
189.11101	3.4
223.13348	20.1
239.17975	11.3
243.12291	3.0
257.18948	15.9
257.66843	2.4
275.20032	100.0
293.21042	47.5
375.58096	2.5
385.59216	2.3
452.52478	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	552.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.99468	0.8
54.81900	0.8
54.89716	0.8
55.01858	4.6
55.05256	1.4
55.05500	16.8
57.03424	3.8
57.07051	4.0
61.02907	1.6
61.44033	0.8
67.05493	19.8
69.03418	8.1
69.07055	23.9
71.04958	3.7
71.08614	1.5
75.92793	0.9
75.98886	0.8
77.20615	0.9
79.05046	1.6
79.05473	29.9
81.03392	5.4
81.07037	44.5
83.04950	1.6
83.08604	16.5
85.02887	13.3
85.06521	1.9
89.03905	0.9
89.20181	0.8
91.05465	15.1
93.06421	1.5
93.07022	38.4
95.04945	8.6
95.08584	44.7
97.02877	8.0
97.06512	62.7
97.10146	11.8
98.06875	6.8
99.08074	1.3
105.07009	24.8
107.04950	1.6
107.08573	28.4
109.02848	1.8
109.06508	6.5
109.10155	17.5
111.08070	5.1
111.11714	0.8
115.11191	5.1
117.03352	2.1
117.07011	4.8
117.83719	0.9
119.08553	19.9
120.81193	0.8
121.06526	4.0
121.10126	20.4
123.08013	4.7
123.11677	7.9
125.09615	3.5
127.03899	1.4
129.06952	2.2
131.08542	12.0
133.06458	5.2
133.10112	17.0
134.07265	4.4
135.04424	7.7
135.08032	6.2
135.11667	20.2
137.02328	2.1
137.03378	1.1
137.05908	1.0
137.09540	1.8
137.13216	4.9
143.08540	5.4
145.02832	5.5
145.10080	8.5
147.08015	3.3
147.11690	12.4
149.09601	3.4
149.13232	12.5
151.11157	4.5
151.14845	2.1
157.10083	6.2
159.04350	2.3
159.11685	9.6
161.02376	10.4
161.09657	4.4
161.13261	8.0
162.02823	1.3
163.03874	34.5
163.11145	2.1
163.14766	5.7
164.04202	5.2
165.09106	1.4
165.16324	1.1
171.11684	4.4
173.02277	14.3
173.13228	4.4
175.11160	5.9
175.14703	6.6
177.12732	4.1
177.16367	1.0
179.10715	1.0
180.02313	1.0
185.05843	1.2
185.13187	5.8
187.14676	1.3
189.05464	1.0
189.12781	1.0
189.16351	1.6
193.15837	1.6
199.14777	2.2
200.04776	0.9
203.14197	1.4
203.17979	1.2
203.95264	0.9
213.09033	1.0
215.07007	22.9
215.17894	1.2
216.07347	4.9
217.05031	1.0
229.19495	5.2
242.10576	1.0
243.21019	1.0
245.22559	5.9
255.21008	9.6
259.09604	46.0
260.09848	11.9
263.23608	4.2
269.21201	3.7
271.02307	4.6
273.22150	12.6
291.23123	36.4
301.21561	17.1
307.22598	4.3
309.24118	8.8
319.22632	100.0
337.23691	52.4
355.15396	4.9
355.24612	6.9
421.14868	2.2
422.15149	1.5
563.76660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46829	0.6
55.01865	1.2
55.05492	1.3
57.03426	1.0
60.08151	8.0
67.05482	4.3
69.03411	1.1
69.07056	17.1
71.04978	1.0
71.07345	3.1
74.24543	0.7
79.05472	3.8
81.03410	1.2
81.07033	1.6
83.04939	1.0
85.02894	1.0
86.09692	42.5
89.03903	3.4
91.05485	1.1
95.01302	0.7
95.04958	1.1
95.08595	3.3
97.06512	17.3
98.98431	1.9
104.10725	5.8
109.10134	1.0
117.03365	4.4
123.11694	0.9
124.99980	27.5
127.03851	1.1
134.03592	1.2
135.04401	13.0
145.02820	11.4
151.50182	1.0
156.09335	0.9
161.02376	1.3
163.03880	73.2
184.07309	100.0
241.08580	3.7
259.09601	34.5
355.15332	1.8
421.14752	1.4
521.09424	1.0
552.33197	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	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
60.08157	9.0
67.05479	1.1
69.03393	0.7
69.07044	2.4
71.07362	4.1
75.91778	0.5
79.05465	2.3
80.27068	0.5
81.03399	0.9
81.07040	4.2
83.08604	0.8
85.02878	1.1
85.06520	0.8
85.71923	0.5
86.09694	45.9
91.05463	0.9
93.07030	0.9
95.08595	1.2
97.02866	0.5
97.06525	2.3
98.98447	3.6
104.10731	5.2
105.01846	0.5
107.08572	1.0
109.10136	2.3
111.83202	0.5
112.18329	0.5
124.99993	34.6
127.03899	0.5
131.08527	0.8
139.75783	0.5
152.61281	0.5
184.07315	100.0
206.04491	0.5
231.14955	0.5
244.70242	0.6
256.45462	0.5
293.70682	0.5
338.36636	0.6
355.15366	2.0
414.29700	0.6
452.23825	1.2
534.31970	2.1
552.32635	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	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
60.08157	9.0
67.05479	1.1
69.03393	0.7
69.07044	2.4
71.07362	4.1
75.91778	0.5
79.05465	2.3
80.27068	0.5
81.03399	0.9
81.07040	4.2
83.08604	0.8
85.02878	1.1
85.06520	0.8
85.71923	0.5
86.09694	45.9
91.05463	0.9
93.07030	0.9
95.08595	1.2
97.02866	0.5
97.06525	2.3
98.98447	3.6
104.10731	5.2
105.01846	0.5
107.08572	1.0
109.10136	2.3
111.83202	0.5
112.18329	0.5
124.99993	34.6
127.03899	0.5
131.08527	0.8
139.75783	0.5
152.61281	0.5
184.07315	100.0
206.04491	0.5
231.14955	0.5
244.70242	0.6
256.45462	0.5
293.70682	0.5
338.36636	0.6
355.15366	2.0
414.29700	0.6
452.23825	1.2
534.31970	2.1
552.32635	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	552.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01865	11.5
55.05505	18.3
57.03429	8.7
57.07057	2.4
59.04995	1.9
59.18081	1.6
60.26447	1.5
61.02906	2.2
62.83524	1.7
67.05496	43.4
69.03421	24.0
69.07063	31.5
69.74158	1.7
71.04987	4.1
73.02913	2.6
79.05476	28.6
80.05815	2.2
81.03399	20.6
81.07047	51.1
81.07526	2.1
83.04948	6.4
83.08611	9.4
85.02888	37.1
86.09730	2.4
87.00825	12.3
89.03900	3.7
91.05453	13.1
92.05790	2.5
93.07030	22.0
95.04965	4.3
95.08588	43.1
97.02893	16.9
97.06513	100.0
97.10143	15.6
98.06850	7.8
99.04419	3.8
105.01851	2.8
105.07026	8.6
107.04957	2.5
107.08583	19.7
109.02877	10.8
109.06555	2.9
109.10149	36.8
111.08070	2.9
117.03379	4.2
117.07014	2.0
119.08572	7.7
121.06461	1.8
121.10131	11.2
123.08102	2.2
123.11699	14.5
125.09580	4.3
127.03885	19.9
129.06985	2.6
131.08557	8.4
133.10135	11.3
135.04382	13.4
135.08069	1.9
135.11659	10.7
136.04730	2.8
137.13293	2.3
145.02843	10.5
145.04913	3.4
145.10127	4.1
146.03183	2.8
147.04362	2.6
149.06078	1.8
149.09653	2.8
149.13286	2.4
151.11205	2.6
157.10110	2.1
159.02953	3.8
159.04404	7.6
159.11621	3.7
161.02299	19.5
163.03882	84.2
163.11133	2.2
164.04202	15.7
173.02293	31.4
173.13298	1.9
181.12248	2.2
183.02164	1.9
184.07314	3.8
205.19371	2.8
213.05330	2.1
215.07005	39.5
215.17937	10.6
216.07428	4.2
233.18985	13.2
241.08488	2.3
251.20000	46.2
259.09622	93.1
260.10010	18.7
269.21054	65.4
287.12875	2.4
287.22131	43.7
319.22525	3.2
337.14240	2.4
337.23816	2.8
338.14526	3.5
355.15256	7.2
376.14999	2.3
421.14682	9.0
422.15701	2.4
433.93533	2.4
498.02985	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	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53591	0.6
52.14373	0.6
52.85133	0.6
53.03931	3.6
55.01857	4.3
55.05501	6.0
56.96553	0.7
57.03422	3.8
63.62427	0.6
67.05502	6.0
69.03414	5.8
69.07055	12.0
71.01332	6.4
71.04974	1.3
71.95420	0.7
79.05485	10.5
79.97083	0.7
81.03384	5.5
81.07030	4.4
83.04955	5.0
83.08607	0.8
85.02892	6.3
91.05457	4.7
93.07006	3.7
95.04945	10.6
95.08567	1.7
97.02881	5.0
97.06512	47.3
97.10151	1.7
99.04435	1.3
105.07008	3.4
107.04920	0.9
107.08575	1.8
109.02870	5.9
109.10143	3.0
115.05402	2.9
117.03350	1.6
117.06996	1.6
119.04907	1.1
119.08530	1.0
121.10139	1.7
123.04417	3.3
123.07975	0.9
123.11716	0.9
123.29821	0.8
124.09418	0.8
125.76510	0.7
127.03910	6.0
128.06238	1.7
129.06990	4.0
131.04924	1.4
131.08531	6.3
133.02721	0.9
133.06444	3.0
133.10114	1.9
135.04375	5.9
137.02347	1.5
137.05963	3.5
140.63690	0.7
141.06999	10.5
143.04964	1.3
143.08562	4.5
145.02853	3.2
145.06505	0.9
145.10136	1.6
147.04364	4.5
149.05928	1.2
152.06178	1.3
157.06497	1.5
157.10126	4.9
159.08023	3.1
160.05177	19.3
161.02319	1.8
161.04547	1.0
161.05954	60.6
163.03882	86.6
165.05504	1.0
165.06989	1.1
167.08533	8.7
169.06494	7.6
171.08020	4.3
173.05972	13.2
175.03889	8.3
175.07538	5.8
176.04704	0.8
177.05434	3.2
180.05470	0.8
181.06476	0.9
184.05197	3.4
185.05980	3.5
185.09529	5.4
186.06624	1.0
187.07509	6.6
189.01813	1.9
189.05495	6.4
189.09077	71.4
195.08005	14.2
197.05981	4.2
198.06723	1.6
200.04688	1.3
201.09081	3.1
202.06190	0.9
203.06944	3.0
203.10687	4.2
205.08534	1.3
207.02863	5.0
213.05499	1.0
213.09064	14.9
215.06993	68.3
215.10617	3.7
217.04941	1.5
217.08557	12.9
223.07587	1.8
226.06117	1.2
231.10138	9.5
233.08046	6.5
237.00432	0.9
237.07901	1.0
241.08582	6.3
255.09065	1.0
259.09610	100.0
260.09906	1.2
271.02286	1.3
277.10693	8.7
325.10504	1.0
337.23547	1.8
355.24759	3.2
369.56702	0.9
403.13742	5.0
421.14795	14.5
552.21436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61871	0.5
54.48420	0.5
68.88082	0.5
69.03400	0.7
97.02870	0.8
98.97552	0.7
106.82236	0.5
146.02742	1.1
287.10953	100.0
451.44080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.29203	0.5
65.88629	0.5
67.05495	0.9
70.85743	0.6
73.53984	0.5
79.05508	1.0
81.07060	0.7
86.09702	2.4
91.05466	0.7
124.99966	0.8
162.10115	0.6
184.07399	3.6
191.03377	0.6
342.11517	0.6
357.49954	0.7
389.22958	2.5
402.35089	0.6
551.28186	100.0
552.28363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05504	0.7
55.08148	0.8
57.09127	0.7
60.32344	0.6
61.02931	0.7
65.03944	0.6
65.05753	0.8
67.05499	0.8
69.03419	4.6
71.04993	3.1
79.05474	1.1
79.18794	0.6
81.03404	3.5
81.07043	1.1
85.02883	9.5
87.00817	1.7
90.86665	0.7
91.05486	3.1
93.07037	1.0
93.56307	0.7
95.04954	1.2
95.08568	0.9
97.02873	4.3
97.06562	1.0
103.05489	1.5
105.00244	0.8
105.07021	1.7
107.08615	1.1
109.02839	1.2
111.04468	1.0
111.09390	0.7
113.05975	0.9
115.05441	4.9
117.07008	1.5
119.02153	0.7
119.04938	3.1
119.08556	1.5
119.69508	0.8
122.03636	3.6
123.04423	1.1
127.03893	2.7
131.04866	1.2
135.04362	1.0
137.05965	71.9
138.06300	10.2
141.03400	1.1
143.04967	3.1
145.06473	1.5
147.04420	1.8
149.06001	1.9
150.06818	2.9
151.03888	1.9
158.03619	1.4
159.04420	4.0
160.05199	5.1
161.05991	4.1
163.11127	0.8
165.06949	1.1
171.04298	1.0
173.05957	5.2
174.06714	1.0
175.03889	1.7
175.07574	6.0
177.07042	3.7
178.07803	1.1
186.03125	7.5
187.03964	1.7
189.05344	0.8
191.06946	1.0
194.07260	4.1
195.08104	0.9
201.05435	28.0
203.07040	3.6
204.05772	0.9
205.06464	24.5
207.06584	3.1
211.07544	0.9
215.07022	3.4
217.06532	1.5
219.08067	3.6
219.09982	0.8
221.05968	2.9
222.06705	12.7
223.07553	1.2
227.07030	1.1
233.05942	23.8
233.07951	0.9
233.15259	1.2
234.06754	8.2
237.09047	20.9
239.06961	3.6
247.07645	3.2
248.08435	1.0
249.05447	4.4
250.06221	20.3
251.07053	4.0
251.16457	1.4
259.09647	1.1
261.05417	5.2
262.06274	1.6
263.07013	1.4
264.07797	7.1
265.08560	52.8
266.09296	4.8
267.06500	5.3
269.17487	1.5
275.06903	1.0
277.05017	3.4
277.08585	1.4
278.05615	10.4
279.06525	1.7
279.09915	2.3
282.08975	4.3
283.09586	1.9
290.05667	1.1
292.07254	19.0
293.08041	45.1
294.08759	1.8
295.06033	1.6
297.11252	14.0
303.08676	1.0
304.08829	2.8
305.08182	4.2
306.97574	0.9
307.06525	1.0
307.09592	42.4
310.08307	8.2
325.10660	100.0
337.10773	3.1
343.11713	42.7
347.07190	0.8
355.11813	3.6
368.92746	0.9
400.51483	0.9
480.53882	0.8
539.85712	0.8
574.21716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58589	0.8
55.01865	2.3
55.05505	5.3
57.03424	1.7
59.16614	1.0
59.29103	1.0
67.05496	4.5
69.03418	6.1
69.07056	4.7
71.04971	1.5
75.49509	1.1
78.35200	1.0
79.05463	6.2
81.03394	5.2
81.07050	5.9
83.04971	2.1
85.02896	5.3
91.05464	8.6
93.07043	5.2
95.04959	7.5
95.08594	6.2
97.02897	2.0
97.06521	15.1
97.10159	1.7
97.40342	1.0
105.07027	5.5
107.08549	2.8
109.06475	2.1
109.10156	4.8
115.05427	5.8
117.07017	2.2
119.08574	8.4
121.10158	2.3
123.08122	1.8
125.09663	1.4
128.06232	1.3
128.36092	1.2
129.06989	1.3
131.08562	5.9
133.06467	5.1
133.10132	2.1
135.04437	2.4
135.08052	1.9
137.05989	4.9
137.09660	1.7
141.06955	13.9
143.08556	6.2
145.02814	2.2
145.10168	1.9
147.04373	1.5
147.11684	1.9
149.09566	1.8
159.04398	1.3
159.08037	2.1
159.11620	1.5
160.05174	32.4
161.02339	1.6
161.05945	100.0
161.09595	2.1
163.03891	18.5
167.08563	2.4
169.06482	7.3
171.07996	2.1
173.05969	6.3
174.08920	1.2
175.03859	1.8
175.07516	2.6
185.05994	2.4
187.07500	8.6
189.05469	1.8
189.09077	92.1
195.08067	2.2
197.06017	5.4
199.27484	1.2
200.04669	5.8
201.05469	2.8
213.09151	5.1
215.06989	87.6
217.08589	22.1
223.07533	2.3
227.06955	1.5
233.08086	6.1
259.09595	67.5
259.12280	2.5
277.10773	1.6
301.52979	1.2
302.07578	1.6
302.41904	1.2
303.04715	1.7
335.22134	4.4
353.23032	1.2
355.15332	2.1
367.35812	1.8
403.13892	1.8
421.14795	2.5
430.41742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1035
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03943	3.0
55.01656	0.2
55.01872	2.4
57.03436	1.8
57.79034	0.1
61.02911	1.6
63.14469	0.1
64.55173	0.2
68.99776	2.1
69.03419	9.3
70.03564	0.2
71.01336	0.2
71.04967	1.0
71.60478	0.2
73.02901	1.9
75.12935	0.2
81.03402	11.4
83.01328	0.2
85.02894	12.8
87.00816	7.2
91.03939	0.6
95.04950	0.4
97.02875	4.8
97.29932	0.2
99.04443	3.1
104.05032	0.2
105.01848	2.4
107.04963	0.3
109.02130	0.3
109.02860	7.2
111.00788	1.0
115.05421	0.2
117.01875	1.5
121.02829	1.3
127.03899	9.3
129.01830	1.3
131.04869	0.2
133.06424	0.2
135.04347	0.3
137.02316	4.6
137.05943	1.1
140.98668	0.2
143.08490	0.2
145.04942	2.2
145.06422	0.3
149.02336	0.4
151.03857	0.2
152.07027	1.0
153.01814	5.6
154.08208	0.2
155.04964	0.3
159.02863	4.3
161.05952	0.9
163.03877	1.0
165.01802	2.5
166.02585	0.3
166.40558	0.2
169.06482	0.3
173.05952	1.1
178.04970	3.0
183.02838	1.3
183.04384	0.2
187.03873	0.2
187.07462	0.2
191.06909	0.3
195.02888	0.2
197.02904	0.2
201.05457	5.0
213.05560	0.3
215.07040	0.3
218.19531	0.2
219.06404	0.4
229.04903	5.5
231.04837	1.4
239.03326	0.3
247.06010	1.0
257.04395	3.7
257.08926	0.2
259.09662	0.3
265.08334	0.2
270.16510	0.2
274.04727	1.4
275.05331	0.3
285.03867	1.8
285.12314	4.7
297.11252	0.3
303.04947	100.0
303.13327	3.6
304.05286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
57.03439	1.0
61.02907	0.9
69.03436	2.6
76.38353	0.7
81.03390	1.0
85.02900	7.9
89.03890	1.3
95.01327	1.5
95.04942	0.9
97.02889	3.0
101.18078	0.8
107.04926	0.8
117.03347	1.7
123.04408	0.8
127.03861	1.2
135.04416	11.6
137.02339	0.8
139.03886	3.4
141.01817	0.8
145.02834	9.9
147.04428	5.7
149.02316	1.8
153.05450	100.0
159.04384	1.5
163.03876	98.8
164.04131	0.8
175.03831	1.5
177.01863	4.8
177.04008	1.1
177.05458	1.2
181.04987	1.6
187.03937	3.1
189.05458	1.4
191.03365	1.0
195.06502	26.8
198.29756	0.8
201.05428	1.1
203.03375	45.9
205.04901	5.9
213.05377	1.8
215.03339	9.6
219.02972	1.0
221.04495	0.9
229.05042	1.0
231.02908	6.5
233.04402	6.3
249.14973	1.3
261.03836	3.1
275.05362	1.7
279.04935	8.7
291.04913	7.9
321.05951	5.3
339.07080	34.3
371.09689	6.5
375.98642	0.9
550.16614	0.9
553.37341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33512	0.6
55.01873	0.8
55.05488	2.2
60.08156	9.1
67.05486	2.8
69.03420	1.5
69.07043	3.0
70.28883	0.5
71.07348	4.0
79.05473	3.8
81.03386	1.3
81.07027	4.4
83.04978	0.9
85.02885	2.5
86.09692	50.7
91.05444	1.5
93.07008	3.1
95.04968	1.0
95.08571	3.8
95.71872	0.6
97.02843	0.7
97.06502	11.6
97.10133	0.9
98.98450	4.0
104.10712	5.2
105.07004	3.1
107.08558	3.1
109.10136	1.2
117.03311	0.6
119.08540	2.6
120.04782	0.5
121.06529	0.9
121.10111	3.3
123.07999	1.0
123.11645	0.6
124.99986	35.2
126.22109	0.6
133.10097	1.5
135.04405	0.9
135.11642	1.0
137.40630	0.6
149.09523	0.6
157.10101	0.8
159.11810	0.7
161.13326	0.7
163.03830	6.2
173.02376	1.1
173.09676	0.8
175.11101	0.9
179.92886	0.6
184.07310	100.0
191.14436	0.7
196.85876	0.7
201.47523	0.6
209.15480	0.7
215.07024	2.5
259.09558	8.2
291.43585	0.6
299.19739	0.9
317.20978	1.4
335.22128	4.8
337.14468	0.9
353.23129	3.4
532.30774	0.8
550.31635	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	549.124
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
51.78363	0.2
53.03932	2.1
55.01866	1.9
55.05497	0.3
57.03419	1.2
61.02900	1.0
68.99763	1.1
69.03066	0.3
69.03417	7.5
71.04948	0.4
73.02908	1.8
81.03400	9.6
81.07021	0.5
82.91969	0.2
83.01330	0.2
85.02895	8.1
85.98689	0.2
87.00813	5.5
91.03937	0.3
91.05469	0.3
92.08549	0.2
93.07015	0.4
95.04967	0.5
95.08576	0.3
97.02864	3.6
99.04436	2.0
105.01833	1.8
105.03416	0.3
105.07044	0.3
107.04902	0.2
107.08481	0.2
109.02873	6.2
109.10104	0.3
111.04410	0.3
115.05438	0.2
117.01833	1.1
119.08574	0.2
121.10126	0.2
123.04434	0.4
124.01530	1.0
127.03892	4.9
129.01820	0.5
129.07071	0.4
134.03618	4.5
137.02333	0.3
141.06992	0.3
145.04929	1.4
147.04321	0.2
149.02312	2.0
149.06001	0.4
150.03033	0.3
152.01076	0.3
153.01807	16.2
157.06445	0.4
159.02827	2.8
163.03856	0.4
169.06425	0.3
170.02031	2.1
175.03856	0.9
179.03342	0.4
182.91386	0.2
185.05925	0.9
197.05911	0.4
213.05426	2.8
214.32922	0.2
229.04893	1.8
230.05737	1.0
231.04852	0.5
235.05858	0.5
240.04169	0.4
241.04913	12.2
245.08044	2.2
255.06531	0.2
257.04456	0.4
258.05176	3.4
269.04367	9.1
273.07556	0.5
283.06027	0.5
285.03876	7.1
286.04678	16.3
301.07013	100.0
302.07224	0.4
479.13300	0.2
508.78244	0.2
573.54669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.158
Annotation	Daphneticin 4''-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.05517	1.0
60.42850	1.1
66.25497	1.0
69.03430	1.3
70.06583	1.2
70.79684	0.9
82.71386	0.9
85.02897	2.0
87.97361	1.1
88.21844	1.0
101.81421	1.1
106.21996	1.0
107.04939	1.3
126.98440	1.0
127.03894	1.2
137.02342	5.4
145.02824	2.2
162.08719	1.0
163.03918	2.1
169.83377	1.2
177.05482	4.4
185.04178	1.6
201.39647	1.0
202.57861	1.1
243.01868	1.6
244.13126	1.2
283.17712	1.6
387.10443	100.0
491.29828	1.2
533.24939	1.3
549.15668	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13243	0.6
53.23840	0.6
55.01858	1.3
57.03421	1.6
60.87917	0.6
61.02906	2.9
69.03400	3.7
79.66376	0.7
80.05093	0.7
81.03416	1.7
85.02888	15.6
87.03900	0.7
89.03883	1.2
92.09281	1.0
95.01347	0.9
97.02921	5.2
105.06961	0.8
107.04944	1.2
109.02840	1.0
117.03365	2.9
123.04366	1.4
127.03918	1.0
128.20779	0.7
128.44357	0.7
131.04884	0.7
135.04399	12.8
135.13580	0.8
139.03876	3.5
145.02861	9.4
145.04959	0.7
147.04390	4.6
149.02315	2.8
153.05443	100.0
156.26567	0.9
163.03870	95.0
175.03889	3.3
177.01796	4.9
177.03957	0.8
177.05385	1.4
181.04893	3.1
187.03922	3.0
189.05440	1.6
195.06493	24.6
203.03363	43.9
205.04883	5.6
215.03345	7.0
219.02782	1.2
221.04417	1.3
229.04912	1.2
231.02809	6.8
233.04398	5.3
261.03937	4.5
271.49710	0.8
275.05292	1.4
279.04993	8.3
291.04889	6.9
303.04788	0.8
321.06064	3.3
339.07025	35.1
349.61218	0.9
371.09476	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86137	0.8
52.64602	0.9
53.00293	1.1
53.03932	1.8
54.81678	1.0
55.01870	1.4
55.05504	21.6
57.03426	8.3
57.07062	2.2
61.02914	9.2
61.36684	0.9
65.03931	1.3
67.05141	1.6
67.05497	47.4
67.60561	0.9
69.03400	2.0
69.07059	19.1
71.04977	3.6
73.02886	4.4
75.04473	0.9
79.05477	71.7
81.03399	1.5
81.07042	49.2
83.04971	1.4
83.08608	6.3
85.02888	8.8
85.06539	2.3
90.15461	0.9
91.03941	4.5
91.05464	64.9
93.07027	100.0
95.04930	7.3
95.08585	34.0
97.02863	4.6
97.06507	3.7
97.10136	3.3
99.08052	1.7
105.04557	1.0
105.07018	64.8
107.08583	46.7
109.06525	4.6
109.10149	13.8
110.69767	1.0
111.08018	1.3
115.05453	1.0
117.06989	17.6
119.08568	58.8
121.06506	1.5
121.10137	36.3
123.08083	1.3
123.11681	1.7
128.06270	1.2
129.06989	13.0
131.08549	23.6
133.10109	46.2
135.08051	2.0
135.11684	33.0
137.09637	1.5
143.08546	13.8
145.10112	21.4
147.11681	36.5
149.09593	2.0
149.13257	17.1
157.10162	9.6
159.11658	17.5
161.13231	25.6
161.36179	1.0
163.11200	2.1
163.14832	4.7
169.10152	1.9
171.11652	15.3
173.13237	11.2
175.14793	12.4
177.12723	1.7
185.13229	10.3
187.14803	1.1
189.12674	1.3
189.16492	1.0
199.14763	6.9
203.14348	1.5
207.13824	0.9
213.16336	1.8
231.17427	1.6
231.21057	5.6
241.15800	1.0
241.19514	20.2
242.93369	1.0
259.20532	61.9
277.21591	6.3
307.53540	1.3
333.24118	9.6
351.25238	93.7
441.26285	2.2
459.26672	1.4
477.28204	2.0
495.29691	6.7
507.95639	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	548.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	7.9
57.42962	1.1
58.06311	1.5
58.06589	38.3
59.07368	16.8
60.08153	9.6
67.05492	5.4
70.80408	1.0
75.04462	5.7
79.05463	2.5
81.07024	4.9
82.75939	1.1
83.44257	1.3
85.02894	2.1
87.04446	2.7
91.05439	5.9
92.62019	1.4
93.07021	5.2
95.08575	1.3
105.06963	2.2
107.08604	1.4
109.10126	1.9
117.07011	1.6
119.08549	2.2
131.07050	1.8
144.10176	10.7
147.95592	1.5
162.11185	2.5
171.59995	1.3
190.39061	1.3
195.39163	1.2
236.14879	100.0
248.20711	1.1
250.43599	1.4
354.16855	1.3
366.08752	1.5
530.38318	17.3
548.39349	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	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76760	1.1
53.00270	1.3
53.03938	2.9
55.01864	2.2
55.05508	31.1
57.03418	8.2
57.07055	6.6
61.02909	8.9
61.03189	1.3
61.63840	1.2
65.03931	2.1
67.05495	58.4
69.03409	6.1
69.07061	22.1
71.04986	2.9
73.02895	2.5
79.05479	72.7
81.03394	8.5
81.07043	59.1
81.07532	1.9
83.04976	2.6
83.08611	7.7
85.02879	15.4
85.06528	2.2
87.44093	1.3
90.38171	1.3
91.03934	3.0
91.05466	77.5
93.07027	100.0
95.04974	12.9
95.08597	38.1
97.02869	5.9
97.06502	6.4
97.10174	2.0
99.08087	3.0
103.05469	1.9
103.85239	1.3
105.04548	2.1
105.07017	86.0
107.04939	3.2
107.08584	49.9
109.06477	2.2
109.10146	15.2
111.24925	1.3
115.05433	2.2
117.07002	29.0
119.07708	3.0
119.08562	72.8
121.06528	1.6
121.10121	29.0
123.08051	2.6
123.11647	1.3
127.03900	1.4
128.06178	2.2
129.06992	25.7
131.08549	33.5
133.06529	1.9
133.09174	2.7
133.10121	57.7
134.29025	1.7
135.08112	1.8
135.11679	28.2
137.09660	2.1
141.06964	2.3
142.07782	2.4
143.08551	17.5
145.06456	1.6
145.10106	29.4
147.11670	41.4
149.09621	3.1
149.13255	18.0
155.08582	3.1
157.10112	12.3
159.11688	24.9
161.13242	27.5
163.11128	2.2
163.14725	1.8
169.10019	2.5
171.11697	18.2
173.13208	15.2
175.14763	9.7
181.10161	2.1
185.13283	12.0
187.14745	2.0
199.14795	8.3
204.66666	1.4
213.16402	1.7
231.17354	2.0
231.21063	7.1
241.19479	20.8
259.20535	57.0
275.20227	1.8
289.21457	1.8
333.24002	1.9
351.25241	76.0
367.22784	11.8
367.74539	1.5
385.19061	1.7
385.23715	9.4
403.24814	17.9
421.25717	9.3
560.94098	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57507	0.3
53.67081	0.3
54.02813	0.3
57.40277	0.3
60.98119	0.3
68.70213	0.3
69.80939	0.3
72.20987	0.4
74.02428	0.7
74.75996	0.3
92.09271	0.4
104.69669	0.4
113.85372	0.3
115.05432	1.5
117.05753	0.8
117.06984	0.6
117.20316	0.4
118.06520	23.5
118.07363	0.8
130.06499	1.6
132.08064	8.1
142.06503	2.8
143.07268	2.5
144.04417	0.4
144.08069	18.3
145.06506	0.5
146.05991	89.4
147.04385	1.7
159.09132	8.7
160.07518	1.4
160.19923	0.4
170.05972	5.5
188.07034	100.0
189.07491	0.6
205.09698	24.5
268.66776	0.4
305.90515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29160	1.9
52.36529	2.1
53.03940	3.1
55.01861	13.6
55.05503	45.2
57.03426	13.8
61.02892	2.3
64.37299	2.3
65.50394	2.1
67.05487	44.0
68.96541	2.3
69.03422	2.6
69.07056	28.0
71.04963	4.5
79.05472	35.0
81.03400	6.0
81.07042	35.4
83.04963	25.9
83.08606	33.5
84.19243	2.6
85.02885	9.2
91.05456	31.3
92.08646	4.6
93.07028	43.0
95.04950	76.1
95.08601	25.6
97.02881	2.4
97.06512	14.0
97.10142	11.3
99.04448	13.3
105.07022	32.8
107.04948	10.4
107.08590	35.7
109.06514	11.3
109.10143	10.4
111.04407	20.4
111.08076	10.3
117.07013	5.5
119.08569	22.7
121.06475	4.7
121.10126	20.2
123.08031	5.2
123.11607	4.0
125.09640	9.8
129.06956	5.4
131.08554	14.8
133.10094	9.6
135.08041	9.9
135.11665	13.4
145.10081	19.8
147.08037	4.0
147.11705	5.8
149.09587	26.0
150.59317	2.5
163.03859	3.6
163.11153	28.9
165.57962	2.7
171.11772	2.6
171.57021	2.4
187.11150	2.8
189.11057	2.6
193.49147	2.4
223.13275	29.8
234.03914	2.5
261.90308	2.5
271.02271	11.0
275.20099	39.0
293.20981	18.6
301.26727	2.6
301.93854	3.0
349.23621	9.3
355.14972	2.8
367.24744	100.0
435.35516	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	547.1598
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
55.01862	2.0
68.99781	6.1
78.00901	1.1
81.03386	1.5
91.05468	8.2
92.08625	2.4
95.04955	2.9
97.02847	1.2
105.07000	1.4
107.04942	100.0
111.04404	1.4
119.04919	48.6
121.02840	5.0
123.04437	5.1
127.03922	2.3
131.04883	1.3
133.06487	7.6
137.02383	1.7
137.05983	1.7
139.03894	23.7
145.06483	12.9
147.04390	38.9
147.05455	2.1
148.04787	1.3
149.02299	8.5
149.05980	2.0
151.03870	9.2
156.29892	1.3
157.06477	4.5
161.05945	5.2
162.20274	1.2
163.03889	7.4
165.05490	1.6
167.03346	12.8
171.04390	9.8
175.03886	2.5
177.05431	2.5
179.03354	9.6
185.05933	5.1
187.03799	1.6
187.07574	2.3
189.05450	7.1
191.03357	13.5
193.04950	2.5
199.07616	1.7
201.05457	1.6
203.03336	10.1
213.05484	2.3
215.03447	2.0
227.07069	2.6
229.05034	2.7
231.06537	13.1
233.04387	6.0
239.06941	1.6
243.06468	7.1
245.04457	8.2
245.07994	1.7
251.05525	1.7
255.06416	11.3
257.04370	11.5
259.05893	1.8
267.06473	5.8
269.04410	2.2
273.07596	15.7
275.05780	10.3
275.09103	9.0
285.07440	8.5
287.05447	16.6
299.05228	1.4
393.09708	15.9
411.10669	2.0
468.58102	1.3
478.30310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23511	0.5
60.08154	9.3
61.10468	0.5
67.05487	2.9
69.07043	0.6
71.07346	3.8
79.05479	1.0
81.07008	1.0
86.09690	47.1
91.05473	1.2
92.99885	0.7
93.07038	0.9
97.42136	0.7
98.98444	3.9
104.10715	3.9
107.08572	0.7
124.99977	34.2
133.00450	0.8
133.10048	0.6
146.16533	0.7
184.07312	100.0
206.81284	0.6
222.34599	0.6
231.79700	0.7
528.34259	1.0
546.35638	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05490	1.9
56.05022	0.4
57.03426	0.6
60.07867	0.4
60.08157	8.4
64.35334	0.3
67.05496	3.4
68.05829	0.4
68.24911	0.3
69.07050	1.5
71.04975	0.3
71.07352	3.7
79.05479	3.5
81.03390	2.1
81.07031	3.3
82.07383	0.4
83.04948	0.3
83.08601	0.4
85.02870	1.3
86.09692	44.4
91.05475	3.5
93.07028	3.5
94.07315	0.4
95.04930	1.2
95.08580	1.4
98.98441	4.0
104.10717	3.5
105.06992	2.0
107.08579	1.3
109.06489	0.4
119.08585	1.3
121.10105	0.6
124.99983	31.8
131.08568	0.5
133.10144	0.6
135.11627	0.4
143.00998	0.5
145.10141	0.5
149.09645	0.4
159.74600	0.3
174.98502	0.6
179.43579	0.4
184.07309	100.0
185.07660	0.4
193.12187	1.2
194.12575	0.3
213.00105	1.5
452.51315	0.4
505.23145	0.4
528.36108	0.5
539.63135	0.3
545.37976	1.3
546.35858	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	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54104	1.8
52.94863	1.6
55.05491	2.2
55.42793	1.6
57.03420	8.8
58.06591	69.0
59.07373	43.5
59.09405	1.6
60.08147	8.9
67.05493	8.5
69.03436	2.1
69.07065	2.4
72.15363	1.8
72.92595	1.7
73.26027	1.7
75.04475	2.3
79.05479	4.5
81.07049	2.0
85.02896	2.7
85.22073	1.8
91.05470	3.2
93.07027	3.3
95.04950	2.5
100.07576	2.1
102.05518	23.9
105.06988	2.6
117.07108	3.0
117.07876	16.7
129.05461	2.1
144.10239	14.7
160.09709	8.4
162.11246	20.7
218.13818	4.0
234.13339	3.4
236.14903	100.0
271.02307	2.6
272.14804	2.1
290.15820	14.1
293.66754	1.9
304.17450	2.1
372.23865	2.3
390.24997	13.0
512.35834	15.6
528.35333	2.3
545.51190	2.8
546.36365	14.8
570.79016	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03940	3.0
53.83963	1.6
54.81783	1.8
55.01857	9.3
55.05294	1.5
55.05507	22.5
57.03419	17.7
57.07079	2.2
57.76327	1.6
58.17927	1.5
65.03912	3.5
67.05498	64.9
69.07050	19.1
79.05479	49.5
81.03409	2.7
81.07040	42.8
83.04925	1.8
83.08583	4.2
85.06506	2.2
86.12175	1.7
88.03972	17.8
91.05461	60.3
93.07024	43.3
95.04942	9.0
95.08589	38.2
97.06489	3.9
98.98454	19.6
99.92744	1.8
105.07018	35.3
107.08556	17.5
109.06490	2.7
109.10123	8.1
114.39050	1.7
117.07001	11.1
119.08580	25.9
121.10105	11.1
123.08023	1.9
123.11639	1.9
127.78462	1.9
129.05458	11.1
129.06960	3.3
131.08524	15.0
133.10126	18.5
143.08623	6.0
145.10098	4.1
146.76978	1.9
147.11682	3.8
157.10155	4.3
159.11600	2.3
161.13130	3.0
171.11584	3.3
203.17938	10.5
269.22552	4.7
361.27310	100.0
519.01044	1.9
528.37695	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	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81224	3.8
55.01853	5.6
55.05500	17.6
57.03433	9.2
66.63205	3.1
67.05491	39.1
69.07076	14.7
69.95238	3.3
71.04987	3.9
73.74021	3.4
78.16031	3.3
79.05473	38.5
81.03402	19.9
81.07041	100.0
81.07480	6.2
83.04961	8.6
83.08603	7.2
85.02882	4.4
91.05481	37.0
93.07004	27.3
95.04962	14.5
95.08573	25.7
97.06519	6.3
105.07026	36.6
107.04951	17.2
107.08594	14.2
109.06492	16.9
109.10152	5.7
116.84644	3.8
117.07009	5.1
119.08564	19.2
121.06444	3.9
121.10133	7.7
123.11715	4.4
123.21792	3.3
129.07037	4.1
131.08542	8.5
133.10127	19.8
145.10162	9.1
147.04785	3.5
147.11655	17.4
157.10173	5.8
193.12282	6.2
211.13181	5.5
271.02371	6.0
275.20081	35.1
281.38177	3.8
285.17014	8.3
349.23703	75.4
367.77478	4.6
460.45142	4.3
493.27496	4.2
511.28992	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	546.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
54.38657	0.4
54.81921	0.5
55.01868	4.5
55.05266	0.6
55.05503	10.1
57.03423	5.6
57.07062	2.1
58.43186	0.4
61.02914	4.7
61.34861	0.4
62.80009	0.5
65.03928	0.6
67.05495	17.1
69.03401	2.8
69.06709	0.7
69.07053	14.2
71.04961	1.9
73.02902	0.5
79.05475	16.7
81.03386	2.3
81.07036	22.9
83.04964	6.4
83.08613	4.0
85.02892	5.1
85.06525	0.6
91.03934	1.0
91.04893	0.8
91.05462	18.2
93.07023	26.9
93.18756	0.6
95.04939	5.2
95.08591	15.1
97.02871	0.7
97.06493	5.0
97.10135	2.8
105.07009	23.9
107.04961	7.3
107.08572	17.7
109.02852	0.9
109.06503	9.1
109.10131	5.8
111.08053	1.8
114.34868	0.4
117.06990	7.8
119.08563	15.1
121.06489	11.8
121.10123	10.1
123.08037	6.0
123.11666	2.4
125.09563	0.6
127.03880	4.3
129.06995	2.8
131.08551	17.5
131.09546	0.6
133.06465	3.9
133.09142	0.6
133.10101	18.2
135.08028	6.6
135.11684	4.5
137.09570	2.6
139.07587	0.6
141.07004	1.0
143.08537	3.1
145.05037	0.5
145.06488	2.8
145.10112	16.0
147.07965	3.5
147.11667	13.3
147.12846	0.6
149.09616	6.5
149.13229	3.0
151.11171	3.8
153.09123	0.6
155.08511	2.4
157.10118	3.5
159.08006	3.2
159.11667	9.4
161.09598	3.9
161.13234	3.9
163.11159	8.4
163.14795	1.0
165.12662	0.9
168.42201	0.5
169.10088	2.3
171.11641	2.5
173.09558	4.0
173.13220	6.1
175.11084	3.5
175.14812	0.9
177.12805	1.7
183.11633	3.8
185.13211	1.9
187.11147	1.8
187.14793	0.9
189.12717	0.7
191.14322	3.7
197.13217	2.1
199.14746	0.6
201.12730	3.0
201.16275	0.5
203.14360	0.7
205.19539	0.7
207.13783	3.1
213.16476	0.5
215.14333	0.7
215.17894	1.0
219.13741	2.9
229.19559	2.4
233.15453	0.7
239.17842	3.5
247.20514	4.2
257.18939	11.6
275.20016	68.4
293.21094	7.2
349.23669	100.0
350.24039	1.8
367.24707	33.0
396.16760	0.4
419.24265	2.4
437.25143	4.0
523.76447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.8
53.03944	3.8
55.01873	3.5
55.05506	34.7
55.17826	1.3
57.03426	12.7
57.07065	1.8
65.03931	1.8
67.05495	78.5
69.03439	2.3
69.07062	17.6
71.04979	3.5
79.05473	65.1
81.03401	55.1
81.07042	55.7
83.04975	9.7
83.08601	22.6
85.02892	17.3
91.05461	49.1
93.07023	61.3
95.04959	26.7
95.08586	45.2
97.02916	1.9
97.06519	6.6
97.10162	9.5
105.07014	38.4
107.04983	3.8
107.08585	29.0
109.06527	2.6
109.10143	19.4
111.08105	3.4
117.07016	10.2
119.08572	31.2
121.06474	3.2
121.10130	27.4
123.08001	2.2
123.11718	3.6
125.09614	3.7
129.07002	9.8
131.08563	20.9
133.10080	16.0
135.08090	1.7
135.11711	12.5
145.10144	9.4
147.08044	3.2
147.11664	15.4
149.09634	2.8
149.13243	2.6
157.10124	10.5
159.11700	7.9
161.13261	3.0
169.09955	1.6
173.13303	6.3
175.11227	9.5
175.14758	1.8
187.14795	1.8
189.11113	2.2
193.12216	21.0
203.36807	1.7
211.13206	14.6
253.21725	1.9
261.22232	6.6
267.16000	12.0
301.25201	2.0
335.25790	9.5
391.52011	1.7
435.32526	6.1
453.33484	2.9
527.37482	18.4
545.38324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05500	45.2
57.03426	22.8
65.34457	3.6
67.05489	100.0
69.03428	4.9
69.07066	29.5
71.04975	5.3
79.05470	68.7
81.03400	76.9
81.07039	84.7
83.08601	22.7
91.05466	67.6
93.07011	61.6
95.04949	30.5
95.08576	55.1
95.83238	3.5
97.10147	19.2
105.06996	35.9
107.04976	7.9
107.08576	29.7
109.10149	26.4
111.08070	4.4
117.07008	18.5
119.08548	30.4
121.06532	5.3
121.10130	20.6
123.11674	5.0
125.09651	17.3
129.06981	9.2
131.08530	29.4
133.10121	18.3
134.56279	3.6
135.08043	7.5
135.11681	7.8
145.10077	13.6
147.08012	3.6
147.11714	9.0
149.13275	4.0
157.10094	4.6
159.11656	17.4
161.13176	4.7
171.11717	4.1
173.13268	8.5
187.14854	5.9
188.16753	3.5
193.12297	7.5
253.31735	3.9
261.22125	7.5
267.15900	26.7
335.25925	26.7
421.25928	4.7
479.93399	4.3
527.37347	48.7
545.38403	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.7
53.03946	4.2
55.01877	4.3
55.05506	37.1
57.03424	14.0
57.07074	3.4
60.08148	2.0
65.03931	2.5
67.05492	82.1
67.05849	3.2
69.03406	2.4
69.07063	20.5
71.05004	8.0
71.07391	1.7
79.05477	83.8
81.03395	46.5
81.07035	71.5
83.04974	10.0
83.08598	20.6
83.08998	1.4
85.02879	25.0
86.09704	12.0
91.05465	58.0
91.05984	2.8
93.07027	72.8
95.04961	33.2
95.08588	40.0
95.58363	1.9
97.02886	1.9
97.06516	4.2
97.10165	9.3
105.07011	42.2
107.04945	3.2
107.08579	31.1
109.06525	7.2
109.10127	15.7
111.08062	3.9
115.05499	2.6
117.06980	12.7
119.08558	34.8
121.06496	3.7
121.10123	25.6
123.08055	2.7
123.11661	2.5
125.00008	7.7
125.09702	2.3
129.06955	14.0
131.08542	23.1
133.10124	16.1
134.51582	1.9
135.11719	7.9
137.09663	1.8
142.07831	2.4
143.08565	4.0
145.10100	13.9
147.11690	13.7
149.09610	4.5
149.13176	3.0
157.10118	13.8
159.11630	6.9
173.13177	2.5
175.11183	8.7
184.07336	22.6
185.13335	2.6
193.12183	20.7
211.13257	23.5
261.22232	3.5
267.15857	9.4
281.93298	1.9
285.16968	1.8
326.61090	2.1
335.25815	7.4
435.32529	2.4
527.37231	11.8
545.30371	4.6
545.38263	100.0
549.99414	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02054	3.3
50.97497	3.3
53.65935	2.9
55.01878	15.6
55.05510	28.5
57.03424	17.1
58.06590	37.1
59.07371	17.0
60.08157	16.7
61.02911	24.3
61.47694	3.0
62.46460	3.1
63.85789	2.8
65.97716	3.0
67.05473	27.0
69.03417	22.8
69.07058	19.8
71.04977	4.9
73.02934	11.9
75.04483	3.5
78.19486	3.6
79.05492	30.0
81.03412	19.9
81.07042	39.9
83.04995	14.0
83.08606	5.9
85.02913	28.4
85.25602	3.2
87.04470	5.3
91.03933	5.9
91.05466	18.4
93.07032	31.3
95.04962	7.3
95.08591	17.8
97.02882	15.2
97.06522	22.9
97.10155	17.1
99.04415	5.3
105.07041	15.8
107.04979	5.5
107.08607	18.4
109.02852	4.6
109.06507	6.3
109.10157	3.8
111.04426	16.7
119.08574	14.4
121.10108	6.5
123.08060	8.6
125.09618	12.9
127.03912	6.0
129.05566	4.5
131.08525	4.5
133.10141	8.0
135.11700	3.6
137.02321	6.4
144.10210	4.9
145.10117	7.8
147.04431	3.8
147.08029	4.2
149.09593	3.8
162.11205	3.7
163.03920	5.4
163.11290	4.6
165.09271	4.3
173.09718	5.1
175.27090	4.0
189.11182	5.3
227.12804	4.5
236.14882	100.0
237.15231	25.1
269.04504	7.7
273.18488	12.7
281.92123	4.2
291.19543	22.0
295.05887	4.4
299.05554	15.2
300.06091	4.6
325.07166	4.3
329.06564	4.4
365.23172	14.5
383.23950	7.9
395.11237	46.6
396.12091	4.3
425.12451	38.3
435.14709	4.0
449.12189	19.2
474.78452	3.9
479.13480	5.3
481.83994	3.6
491.13388	4.3
508.32623	5.7
509.14392	6.2
509.33273	4.8
526.33624	14.8
527.15619	7.7
527.33807	22.2
533.24426	4.0
544.34985	7.8
545.16730	25.4
545.35046	28.5
546.15741	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82027	0.5
53.03934	2.9
55.01868	9.7
55.05507	15.1
57.03428	6.1
57.07069	0.7
59.75753	0.5
60.20403	0.5
61.02915	3.0
65.03938	1.2
67.05495	21.9
69.03416	3.5
69.07052	6.1
71.04969	2.7
73.02900	1.0
77.03911	0.6
79.05473	39.1
81.03407	5.5
81.07040	100.0
83.04967	17.6
83.08592	7.3
85.02887	10.6
85.06539	1.0
91.03926	0.8
91.05462	16.6
92.09312	0.7
93.07027	23.2
95.04944	14.8
95.08585	11.5
97.02892	2.1
97.06491	4.0
97.10125	6.4
99.04426	3.4
99.08056	0.9
101.33215	0.5
103.05434	0.8
105.04560	0.7
105.07011	16.1
107.04956	7.5
107.08575	12.7
109.06503	35.9
109.10139	7.0
111.04426	22.0
111.08073	6.3
115.05447	1.3
117.07008	13.7
119.04945	1.2
119.08562	28.4
121.06490	9.3
121.10108	10.2
123.08047	8.3
125.05964	1.3
125.09613	4.6
127.03832	0.6
128.06210	0.9
129.05516	0.9
129.06964	6.1
130.07777	1.2
131.08545	10.7
132.91823	0.5
133.06477	2.6
133.10104	6.7
135.04408	0.6
135.08046	5.6
135.11670	7.4
137.09608	3.1
143.08606	4.4
143.09589	0.5
145.06491	0.6
145.10101	16.3
146.10414	0.5
147.04396	0.7
147.08026	12.2
147.11690	2.7
149.09607	6.3
153.12709	5.0
157.10071	3.9
159.08014	2.3
159.11688	3.3
160.86659	0.5
161.09567	8.1
163.11154	10.3
165.09096	4.2
171.11653	1.3
173.09573	2.1
175.11171	1.3
181.12228	6.2
183.10095	0.8
185.13243	1.3
189.11191	2.1
189.12691	0.8
191.10648	3.9
209.11649	1.0
213.12752	0.9
223.13284	2.6
227.12724	2.8
227.17838	1.1
229.14246	0.9
245.19070	1.2
249.14891	4.1
255.17448	2.6
273.18448	14.6
283.15332	1.1
291.19501	58.8
292.19919	0.7
328.05902	0.6
347.22073	7.5
365.23172	66.2
393.05972	0.7
395.11313	1.2
425.12280	1.0
449.12427	0.8
509.14163	0.6
545.33728	0.5
548.70032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01867	11.7
55.05305	1.1
55.05510	18.9
56.96563	1.2
57.03428	5.6
61.02905	2.0
63.71827	1.0
65.03926	1.5
67.05490	23.1
69.03395	1.9
69.07047	6.3
69.23067	1.2
70.21072	1.0
71.08596	1.2
79.05474	38.1
81.03389	2.9
81.07040	100.0
83.04960	16.9
83.08601	9.7
85.02887	7.6
91.05463	18.5
92.09261	2.9
93.07031	22.8
95.04943	12.3
95.08577	9.8
97.02901	2.5
97.06505	4.9
97.10130	8.1
99.04440	2.1
105.03391	1.5
105.07011	14.2
107.04930	8.9
107.08599	11.6
109.06501	41.1
109.10149	6.3
111.04443	17.7
111.08078	6.3
117.06983	14.5
119.08559	27.9
121.06485	11.0
121.10138	8.9
123.08051	5.2
125.09603	5.8
128.06187	2.0
129.07013	5.8
131.08554	10.1
133.06511	2.7
133.10094	5.5
135.08054	6.6
135.11684	5.5
143.08548	2.5
145.10089	14.1
147.08069	11.7
147.11674	3.0
149.02315	2.3
149.09630	8.0
153.12717	5.3
153.26186	1.2
157.10109	3.0
159.11598	3.2
161.09622	10.0
163.11185	9.3
163.24225	1.3
165.09076	1.7
169.10147	1.3
171.11676	2.6
173.09598	2.7
175.11063	1.5
181.12221	5.2
191.10532	2.1
197.01248	6.3
204.43472	1.4
215.02283	7.0
241.00156	2.4
245.18962	1.7
249.14848	5.1
259.01233	8.7
273.18399	18.8
291.19482	70.1
309.00729	2.3
347.22040	8.0
365.23148	40.3
415.65884	1.5
432.70718	1.4
433.04449	2.2
459.06125	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	544.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84286	0.1
55.05534	0.1
56.05028	0.5
57.03417	0.1
58.06574	0.2
60.08154	9.3
67.05485	0.3
69.07032	0.2
71.07362	3.4
79.05452	0.6
81.07041	0.2
86.04591	0.1
86.09693	46.4
91.05466	0.6
93.07030	0.3
95.08578	0.3
98.98446	4.0
101.97890	0.1
104.10722	3.5
105.07005	0.2
107.22646	0.1
114.37974	0.1
119.08563	0.1
124.99982	36.2
127.95889	0.1
132.65883	0.1
143.01025	0.3
184.07314	100.0
192.28294	0.1
197.35724	0.1
226.50429	0.1
447.94138	0.1
448.00601	0.1
526.32733	1.1
544.26886	0.1
544.33929	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	545.1991
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
57.16059	0.4
66.17515	0.5
69.03410	0.7
79.57219	0.5
82.67604	0.5
92.08732	0.7
104.01849	0.6
107.04977	0.9
131.04965	0.8
137.02370	0.6
137.05949	1.0
140.47668	0.6
141.92194	0.5
146.46448	0.7
161.70424	0.6
163.03885	2.3
173.13202	0.7
189.05608	0.6
195.02696	1.0
395.11322	3.0
425.12299	2.9
449.12112	1.1
479.14044	0.8
515.18842	0.8
519.00201	0.7
545.19873	100.0
546.19739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51024	0.4
51.63035	0.4
52.06096	0.4
55.05490	1.8
56.05028	0.9
57.03426	0.5
58.06585	0.8
60.08152	25.4
62.78352	0.4
67.05495	3.2
69.07053	1.9
71.07359	10.6
79.05475	2.1
81.07040	2.0
85.07838	0.4
86.09692	80.2
91.05456	3.8
93.07010	2.8
95.04928	0.5
95.08581	2.1
98.98441	6.2
103.19939	0.4
104.10727	100.0
105.07043	2.7
105.11076	0.5
106.15331	0.5
119.01278	0.4
119.08566	1.8
124.99984	46.2
131.08595	0.4
133.10118	0.6
134.82181	0.4
184.07309	98.1
221.36591	0.4
526.32764	6.3
544.33942	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	544.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01862	1.1
58.99732	0.6
59.75583	0.6
61.02902	1.2
65.03918	1.4
65.37151	0.5
69.03418	3.0
71.18211	0.6
74.60281	0.5
79.05476	1.5
81.03394	0.9
82.77912	0.7
85.02887	7.6
91.05464	11.9
92.09335	0.7
93.07000	2.7
94.04164	0.8
95.04919	6.7
97.02860	3.6
102.04661	7.9
103.05460	6.2
105.04497	0.7
105.07012	11.6
107.04943	4.1
111.04463	1.6
115.05440	1.1
115.96227	0.8
119.04926	19.8
121.02859	1.4
121.06485	21.3
121.07315	1.0
122.03642	3.5
124.05244	0.8
125.05962	0.9
127.03874	0.7
130.04132	9.7
131.04909	5.3
133.06480	12.3
134.03621	4.1
135.04404	10.7
137.05960	100.0
144.08038	0.7
145.04976	0.7
147.04391	32.1
149.05972	20.8
150.06744	19.2
151.03903	18.7
151.05037	2.7
151.07552	4.2
153.06990	3.0
161.05956	26.1
162.06732	46.3
163.03900	5.8
163.07507	2.7
164.08347	0.9
165.05444	4.0
165.06870	1.4
167.03354	2.6
169.04968	0.7
169.15202	0.6
175.03847	3.2
177.05470	3.9
178.02586	6.0
179.07019	4.8
180.38371	0.7
181.04938	2.6
181.06480	4.9
193.04936	15.8
193.06555	1.0
194.07278	0.9
195.08055	0.8
197.05885	0.8
205.04909	3.5
209.05891	0.7
210.06696	1.2
211.07568	4.6
213.09081	3.5
219.44505	0.7
223.05988	3.1
224.50377	0.6
225.05457	0.9
226.29073	0.6
238.06245	0.8
239.07063	3.5
241.08549	1.3
253.08368	1.0
256.07162	1.2
257.08136	1.0
269.08096	1.0
271.09756	1.0
273.11050	0.7
284.07013	1.0
297.07538	25.3
299.09079	22.7
311.08963	1.1
316.30164	0.7
317.10153	14.4
329.10153	28.3
347.11322	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	544.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03942	1.1
55.01860	1.0
61.02934	0.8
61.70320	0.4
62.45597	0.5
64.48978	0.6
65.03929	3.0
66.10480	0.4
69.03416	2.0
76.56703	0.5
77.17855	0.5
78.68896	0.6
79.05494	1.0
82.40461	0.6
85.02894	5.1
89.21627	0.5
91.05460	14.1
91.05991	0.8
92.09372	0.6
93.03385	1.2
93.07020	2.5
94.04174	0.8
95.04948	6.3
97.02860	1.2
102.04678	5.3
103.05453	5.8
105.07013	12.5
107.04952	3.5
109.06529	0.7
111.04444	4.0
115.05450	1.2
119.04921	18.6
121.02871	1.3
121.06484	23.6
122.03641	4.8
123.04404	0.5
125.05974	2.2
128.12250	0.5
130.04128	10.3
131.04938	6.1
133.06477	9.7
134.03619	4.8
135.04382	10.7
137.05962	100.0
141.05481	0.7
147.04396	33.1
149.05949	21.7
149.07056	1.0
150.06752	19.3
151.03889	24.7
151.04955	1.8
151.07532	4.1
153.07021	3.5
161.05952	25.5
162.06732	47.6
162.35594	0.5
163.03894	3.1
163.07550	4.0
164.04625	0.6
165.05478	3.2
165.06860	1.0
167.03430	1.3
168.05818	0.6
169.04945	1.3
175.03885	2.1
177.05467	3.1
178.02597	6.3
179.07005	5.5
181.04938	2.2
181.06497	4.5
182.07243	0.6
193.04950	14.7
193.06538	1.2
195.08014	1.2
196.05219	1.2
197.05952	0.7
198.06767	0.8
205.04979	2.4
207.04582	0.7
210.06714	1.1
211.07408	3.8
213.09099	3.2
223.05966	3.0
224.04529	0.6
225.09010	0.8
239.06912	1.3
240.07753	0.6
241.08659	2.0
253.08463	0.7
256.07449	0.9
257.08054	0.7
267.06458	1.0
269.08084	1.1
297.07532	24.6
299.09097	27.7
303.08847	0.6
311.09167	2.9
317.10147	17.2
329.10141	31.8
347.11108	4.6
382.05310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13310	0.4
53.03937	1.1
55.01860	0.6
55.81780	0.4
61.02900	0.6
65.03922	3.2
68.68879	0.5
69.03403	1.2
79.05472	2.1
81.03399	0.8
85.02899	5.0
91.05459	13.8
93.03392	0.7
93.07011	2.4
94.04168	1.1
95.04945	6.7
97.02863	0.9
102.04655	6.6
103.05434	7.6
105.04496	0.5
105.07014	11.7
107.04945	2.8
109.06505	2.2
111.04443	2.5
115.05421	0.7
119.04923	18.9
121.02827	2.2
121.06483	25.7
122.03596	4.6
123.04405	0.6
124.05179	0.9
125.05968	2.1
127.03865	0.8
130.04135	11.0
131.04878	6.7
133.02831	1.9
133.06454	9.3
134.03593	3.7
135.04390	11.3
137.05956	100.0
138.06297	0.8
141.05484	0.6
147.04388	37.1
149.05957	23.2
150.05519	0.9
150.06737	22.7
151.03894	20.8
151.05005	2.4
151.07520	2.7
153.06937	4.8
161.05952	25.1
162.06725	44.6
163.03873	3.2
163.07474	3.7
164.04761	0.5
164.08260	1.0
165.05435	2.8
165.06953	2.0
167.03392	1.1
169.04973	0.8
175.03844	3.8
177.05450	3.0
178.02571	6.2
179.06982	6.2
181.04938	3.0
181.06474	6.1
182.07327	0.7
191.03374	0.8
193.04941	16.8
193.06421	1.2
196.05093	2.2
197.05956	0.7
205.04990	2.5
207.04369	0.7
208.05096	0.9
209.05922	0.7
210.06761	1.2
211.07491	5.3
212.08273	0.6
213.05466	0.7
213.09123	2.5
221.05936	0.7
223.05943	2.6
225.09068	0.9
239.06978	3.6
240.07735	2.1
241.08560	2.0
251.06911	0.6
253.08643	0.9
256.07346	1.2
257.08145	0.7
267.06503	1.0
279.06509	0.7
285.07608	0.9
297.07510	23.0
299.09061	23.8
311.09070	3.1
317.06757	1.0
317.10147	17.3
329.10147	31.1
347.11148	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30395	3.7
55.01854	7.3
55.05501	46.4
55.83883	3.3
57.03423	9.2
57.07056	5.5
58.57734	4.7
65.03889	3.7
67.05492	62.6
69.07047	26.0
75.54836	3.8
79.05480	61.3
81.03412	9.1
81.07048	54.9
83.04956	21.2
83.08598	23.9
87.08105	6.5
90.31660	4.6
91.05473	35.0
92.09353	12.2
93.07043	45.6
95.04930	7.9
95.08605	39.8
97.10149	19.2
105.07004	33.7
107.04944	5.7
107.08585	28.2
109.10160	29.3
117.06975	19.1
119.08569	30.0
121.10133	21.2
125.09570	7.8
129.07060	5.6
131.08537	29.1
133.10095	20.7
135.08098	6.1
135.11710	6.5
143.08543	9.7
145.10101	26.5
147.11671	16.2
157.10109	8.0
159.11661	15.8
161.13188	5.3
173.13264	6.3
189.11000	5.2
195.11655	5.0
197.13139	7.8
227.12695	4.7
299.23724	9.5
451.32141	5.4
490.58609	4.7
525.35657	18.3
543.36591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30395	3.7
55.01854	7.3
55.05501	46.4
55.83883	3.3
57.03423	9.2
57.07056	5.5
58.57734	4.7
65.03889	3.7
67.05492	62.6
69.07047	26.0
75.54836	3.8
79.05480	61.3
81.03412	9.1
81.07048	54.9
83.04956	21.2
83.08598	23.9
87.08105	6.5
90.31660	4.6
91.05473	35.0
92.09353	12.2
93.07043	45.6
95.04930	7.9
95.08605	39.8
97.10149	19.2
105.07004	33.7
107.04944	5.7
107.08585	28.2
109.10160	29.3
117.06975	19.1
119.08569	30.0
121.10133	21.2
125.09570	7.8
129.07060	5.6
131.08537	29.1
133.10095	20.7
135.08098	6.1
135.11710	6.5
143.08543	9.7
145.10101	26.5
147.11671	16.2
157.10109	8.0
159.11661	15.8
161.13188	5.3
173.13264	6.3
189.11000	5.2
195.11655	5.0
197.13139	7.8
227.12695	4.7
299.23724	9.5
451.32141	5.4
490.58609	4.7
525.35657	18.3
543.36591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
57.03425	8.4
57.07059	4.0
61.02910	10.5
65.35745	1.7
67.05501	14.6
69.03419	31.2
70.06577	8.1
71.04976	50.3
73.02871	4.1
81.03411	14.8
85.02892	84.1
85.06529	100.0
91.03956	2.6
93.70667	2.2
97.02872	27.4
98.97563	3.0
99.04436	81.3
99.73441	2.0
103.07542	3.2
109.02847	4.5
116.98686	2.3
117.05470	40.5
127.03892	20.6
127.55107	1.8
145.04939	27.3
147.04395	2.7
163.05997	4.0
221.54413	2.0
229.10727	8.1
261.09567	16.6
279.10727	3.1
363.09439	2.4
470.16879	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61696	2.1
50.82074	1.8
55.01863	9.1
55.05509	29.7
55.67378	1.8
57.03424	10.1
59.04996	3.6
67.05493	53.5
69.03393	2.9
69.07059	16.5
79.05482	37.9
81.03412	19.2
81.07036	44.5
82.74939	2.2
83.04987	5.7
83.08611	15.1
83.51070	2.2
91.05479	37.4
93.07023	37.1
95.04945	11.8
95.08589	27.4
97.06513	3.4
97.10139	9.2
101.41238	2.3
105.07018	38.7
105.22067	2.1
107.04932	4.3
107.08587	17.4
109.10149	14.9
117.07031	18.4
119.08552	23.2
121.10138	10.3
125.09640	5.1
126.02780	2.0
129.06984	23.6
131.08575	25.7
133.10130	20.0
135.08060	5.1
135.11710	3.6
141.06990	4.4
142.07771	3.4
143.08566	17.4
145.10132	22.5
147.11673	12.4
155.08589	10.4
157.10120	21.8
159.08101	3.0
159.11661	13.9
161.09633	3.6
161.13254	4.4
165.94331	2.3
167.08577	5.6
167.34549	2.6
169.10112	13.9
171.08040	3.0
171.11693	14.2
173.13245	11.3
179.08386	2.8
181.10121	9.8
183.11623	7.8
183.43723	2.5
185.13258	3.0
187.14934	2.8
193.12213	2.3
195.11690	10.8
197.13338	3.9
199.14885	3.7
259.20621	3.0
270.30389	2.3
299.23682	4.5
401.69061	2.6
433.30963	8.8
451.32214	3.6
515.37152	4.1
525.35455	19.4
543.29315	4.9
543.36884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14320	0.2
55.05508	0.4
56.05023	0.4
57.03422	0.2
57.76996	0.2
59.84285	0.2
60.08151	8.9
63.51611	0.2
67.05503	0.3
68.59380	0.2
69.07051	0.3
71.07356	4.0
71.64430	0.2
79.05476	0.4
80.06255	0.2
81.07022	0.3
86.09691	49.1
91.05473	0.5
93.07016	0.4
98.98445	4.5
104.10725	3.6
124.99982	38.2
127.00081	0.2
131.08565	0.2
133.45654	0.2
143.00983	0.3
180.33694	0.2
184.07309	100.0
201.67604	0.2
205.41824	0.2
312.71497	0.2
443.69897	0.2
445.67529	0.2
524.30853	0.5
542.32532	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31111	4.1
52.96261	3.9
55.01869	4.7
55.05510	75.9
57.03422	25.3
57.07057	6.3
67.05491	74.5
68.81252	3.9
69.07063	34.7
79.05469	31.3
81.07047	80.8
83.08601	49.0
86.73900	4.3
89.06032	9.8
91.05466	10.1
93.07040	18.9
93.34027	4.3
95.08599	49.6
97.10157	100.0
97.12221	3.9
103.81847	3.8
105.78439	4.5
107.08591	37.7
109.10152	21.1
111.08072	5.0
119.08479	5.7
123.11665	5.7
125.09621	77.1
127.11813	4.7
189.11186	42.3
227.12733	60.7
245.13762	80.6
337.27301	81.3
507.36874	67.1
516.74817	5.3
550.06421	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	542.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49220	0.7
53.00298	1.0
55.05500	3.8
57.07071	51.8
59.05000	0.7
59.36105	0.6
65.13437	0.7
69.07056	1.9
71.08244	1.7
71.08615	30.0
73.06551	9.7
79.05469	0.9
81.07059	1.0
83.08607	1.4
85.09705	1.4
85.10173	20.6
87.04455	7.0
88.92223	0.8
89.06017	100.0
91.05444	1.0
92.09417	1.9
95.08614	0.8
97.10152	5.0
99.11730	1.3
107.07061	4.2
117.09105	3.7
131.07082	0.9
133.08583	30.9
155.17943	1.8
162.16310	0.8
177.11200	15.3
199.20573	3.5
221.13823	1.3
243.23166	10.2
283.17612	1.4
287.25854	6.5
327.20151	1.5
356.44986	0.8
371.22656	6.1
525.39960	21.2
542.42419	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	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03427	0.9
61.02920	0.7
66.75902	0.5
69.03404	3.6
70.03602	0.5
71.04945	0.8
73.94315	0.5
78.13930	0.4
79.05461	1.2
81.03396	2.2
81.07033	2.4
85.02895	8.1
91.05456	3.6
92.09293	0.6
93.07007	0.7
94.04157	2.2
95.04944	0.6
95.08594	0.6
97.02873	5.5
103.05451	12.2
104.99667	0.6
105.07024	3.9
107.04926	2.6
109.06489	2.2
109.10175	0.6
111.04385	0.5
112.28957	0.5
115.05442	0.8
116.41011	0.5
117.06976	3.4
119.04918	0.6
120.08086	0.8
121.06481	3.0
122.03653	5.6
123.04388	0.8
123.07998	0.9
125.01514	1.2
127.03896	1.0
128.06189	1.3
129.06995	1.2
131.04906	26.0
131.08528	1.3
133.06480	12.6
135.04517	0.6
135.08032	6.5
137.05963	99.8
141.06998	0.7
143.08620	1.7
145.06462	4.8
147.04434	0.8
147.07970	0.9
149.05957	0.9
151.07500	8.3
153.01006	1.0
157.06479	2.3
159.07941	0.7
162.06735	1.9
163.03836	2.5
163.07520	49.4
171.02036	9.3
171.07988	2.3
174.06714	3.0
175.07565	4.8
176.07770	0.5
177.09084	100.0
178.09547	0.5
187.07321	1.0
189.09128	5.3
190.09448	1.3
191.09494	0.7
195.10121	2.9
201.09019	0.8
202.09331	0.7
203.10645	3.5
219.10127	6.4
220.10426	4.7
221.11772	15.2
235.11174	0.8
295.13205	6.9
299.39529	0.6
327.15845	16.2
343.05765	2.2
345.16876	2.7
350.95624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50161	0.9
53.00306	1.1
53.03938	1.1
54.81411	1.0
55.01857	1.2
55.05265	1.4
55.05507	28.3
55.42994	0.9
56.05027	2.6
57.03430	17.3
57.07054	5.0
58.64342	0.8
67.05493	53.6
69.06713	1.7
69.07053	33.4
70.06580	1.4
71.04973	1.5
71.07356	14.3
79.05461	13.3
81.07041	50.5
83.04936	1.0
83.08601	16.7
86.09691	82.6
91.05461	13.4
93.07024	16.7
95.08009	2.1
95.08584	43.4
97.06464	2.6
97.10132	6.3
99.08072	1.2
104.10712	5.4
105.07001	7.1
105.49377	1.0
107.08598	8.3
109.09628	1.1
109.10157	16.1
117.07024	1.5
119.08533	6.3
121.10110	6.6
123.08070	1.3
123.11644	5.2
131.08516	1.8
133.10086	6.2
135.11649	2.0
143.08562	1.4
146.98163	97.8
147.11691	2.0
149.05920	2.4
155.71513	1.1
161.13264	1.5
171.11575	1.4
184.07228	1.5
337.27292	23.4
341.10092	2.5
359.25409	5.2
372.69891	1.2
455.27274	1.4
463.10846	1.3
483.24771	100.0
541.35101	2.3
542.31897	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.37085	0.8
55.01857	1.1
55.05498	2.1
57.49532	0.7
60.08163	6.4
67.05495	1.8
69.03408	1.5
69.07067	2.1
72.08144	4.4
73.06530	3.8
79.05483	1.7
81.03413	3.4
81.07024	1.1
85.02876	4.1
86.06039	1.5
87.00806	1.8
90.09174	12.8
93.07015	1.7
94.06552	100.0
95.04971	4.0
97.02850	1.4
97.06506	9.1
99.01318	0.9
99.04435	1.6
105.06989	1.1
107.08562	0.9
109.02864	0.9
109.10119	1.1
116.07078	13.1
121.10085	1.0
127.03902	1.6
137.02342	12.9
137.07080	1.4
163.03899	3.5
175.14420	10.0
179.11774	72.0
184.00539	0.9
222.12373	1.7
233.08055	8.9
254.44928	0.9
259.09607	4.0
294.18118	4.3
375.36633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42553	0.1
51.14796	0.2
53.03929	0.1
73.18621	0.2
79.05473	0.7
89.03895	0.2
89.91086	0.2
91.05458	0.7
93.07027	1.0
95.04987	0.2
96.67781	0.2
97.02870	0.2
97.61087	0.2
98.97544	0.2
99.68624	0.2
103.05456	5.2
107.04947	2.7
119.04923	1.0
120.08085	100.0
121.06523	0.2
121.08443	0.3
128.31239	0.2
131.04897	2.9
135.04396	0.9
137.05952	0.8
145.02960	0.2
145.04945	0.2
147.04378	1.9
149.05957	1.6
163.03897	1.0
166.08611	26.0
167.07001	0.4
179.07016	0.9
439.16348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52348	1.3
53.03925	2.1
55.01870	5.4
55.05494	2.1
57.03424	5.9
57.07072	3.0
60.08151	7.8
61.02913	5.5
61.04034	3.2
68.99773	1.7
69.03417	24.3
69.07069	3.1
71.04971	3.1
73.02897	5.5
73.15642	1.3
79.05469	2.9
81.03394	19.1
81.07047	2.7
85.02888	54.8
85.06518	1.3
86.06056	11.2
87.00822	17.6
88.06804	1.3
91.78565	1.4
92.08656	2.6
95.04981	1.5
95.08595	3.1
97.02879	13.4
97.06528	7.3
97.63491	1.6
99.04436	10.8
103.08665	14.4
105.01842	12.8
105.07061	2.3
107.08609	2.0
108.04474	7.5
109.02860	20.0
109.10122	1.5
110.06030	100.0
111.04465	2.4
115.03921	1.4
119.03711	1.4
119.08569	2.2
127.03909	31.1
129.01834	2.9
133.10162	1.6
134.06033	6.6
136.03886	2.0
137.02322	2.6
137.05933	2.0
145.04938	7.0
151.06071	1.5
152.07077	8.9
153.06686	1.7
159.02844	7.3
163.03876	7.0
176.07060	1.8
179.04489	3.2
185.24664	1.4
195.11256	34.5
200.07219	2.0
231.05019	2.0
233.08110	1.6
238.11833	29.0
259.09604	6.0
315.97067	1.7
340.10062	2.0
358.11261	52.5
359.11349	1.8
443.16348	6.9
542.29907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.2
53.03931	1.3
55.01854	1.2
55.05490	1.0
57.03413	0.4
61.02898	1.1
62.75404	0.2
65.03918	0.4
66.50661	0.2
66.59796	0.2
67.01851	0.4
67.05482	0.6
68.99767	0.3
69.03408	3.7
69.07059	0.5
71.04972	0.9
73.02889	0.2
79.01828	0.6
79.05475	1.4
81.03388	2.0
81.07037	1.4
83.01324	0.3
83.04962	0.5
85.02889	7.0
86.09633	0.3
89.03880	0.4
91.05470	2.0
93.03355	0.3
93.07009	0.3
94.04154	1.1
94.71585	0.3
95.01289	0.4
95.04939	6.8
95.05509	0.4
95.08587	0.5
97.02869	2.7
97.06512	1.8
99.04442	1.9
100.17043	0.2
105.03374	0.9
105.06995	0.3
107.01275	0.3
107.04928	1.4
107.08540	0.3
109.02856	1.5
109.06513	1.8
109.10118	0.4
111.04422	22.9
117.03291	0.5
118.04133	0.5
119.04906	1.0
119.08584	0.3
121.06474	1.1
121.10091	0.4
122.03625	3.2
123.04379	4.0
125.02343	3.1
125.05889	0.3
127.03889	10.3
128.06194	0.4
131.04779	0.2
133.02817	3.1
134.03601	3.8
135.04390	2.8
135.08035	0.3
135.11667	0.3
136.05211	0.3
137.02345	7.2
137.05949	81.9
138.03088	0.6
138.06303	0.5
138.33334	0.3
139.03876	40.8
140.04633	0.5
141.06982	0.5
145.02798	1.1
145.04915	0.4
147.04382	1.6
148.05145	1.1
149.02316	2.5
149.05963	5.3
151.03882	2.3
151.07516	0.5
152.04622	1.6
153.05499	0.3
155.03371	14.9
155.04840	1.6
156.05658	0.2
161.02321	1.5
163.03882	3.9
164.04642	5.5
165.01796	1.8
165.05443	0.4
167.03360	39.9
167.06992	11.2
168.03923	0.4
169.05173	0.2
169.06380	1.7
170.02080	0.3
173.05936	0.3
175.03831	2.0
175.11369	0.2
177.05452	5.8
179.03362	1.0
180.04124	11.8
181.04868	0.5
183.02899	0.4
183.04411	1.7
184.05167	1.5
185.05852	0.5
187.07474	1.7
191.03320	3.0
193.04935	3.8
195.06461	6.8
197.05931	2.4
198.06750	0.3
199.07504	0.3
200.04640	1.4
201.05493	2.3
207.02870	0.5
211.03865	1.1
211.05887	4.8
212.04655	0.8
213.05421	0.5
214.06200	2.1
215.06953	3.7
221.04446	1.3
223.05977	2.7
225.05377	2.6
226.06143	0.5
227.03296	0.9
227.06946	1.5
228.04140	1.5
229.04953	0.5
229.08546	1.7
233.07994	1.8
239.03270	0.6
239.05313	4.8
241.08470	0.5
242.05675	4.1
243.06462	24.4
245.04295	0.3
253.04910	5.7
254.05602	0.4
255.02898	0.5
255.10130	0.3
256.03629	1.0
257.04349	2.7
257.08026	5.4
259.09680	1.1
260.06705	0.3
261.07578	0.3
267.02878	0.3
267.06497	1.0
269.08002	0.4
270.05136	2.3
271.05945	41.5
272.06708	8.8
274.04773	0.4
275.09030	4.0
281.04382	2.2
284.03104	0.3
284.06836	0.4
285.07529	6.5
286.08334	3.3
288.06174	1.1
293.17264	3.2
294.17719	2.1
295.05991	1.0
298.04678	1.0
299.05484	2.0
299.08994	0.9
303.08575	25.7
313.06992	12.0
316.05661	0.9
327.08453	1.4
331.08047	100.0
332.08380	1.5
345.09708	0.9
349.09259	0.9
363.10648	51.5
364.10748	0.4
480.33545	0.3
541.22516	1.6
541.29852	0.3
542.22565	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	542.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31430	0.5
53.03931	1.4
55.01870	1.2
55.05512	0.9
57.03427	0.8
61.02915	1.1
62.29967	0.6
62.56266	0.6
65.35404	0.6
67.01859	1.3
67.05479	0.8
68.99787	0.7
69.03409	6.8
79.01843	0.7
81.03384	2.8
81.07027	1.1
83.04977	0.7
85.02895	12.1
87.04465	0.7
91.05466	1.5
94.04137	0.8
95.04954	4.9
97.02864	4.0
97.06481	1.2
99.04435	1.6
105.04491	0.8
107.04984	2.2
109.02837	1.6
109.06500	1.4
111.04433	20.1
117.03284	0.9
118.04121	1.0
119.04951	1.7
121.02894	0.9
121.06462	1.5
122.03644	3.3
123.04400	3.9
125.02281	1.7
127.03905	15.0
133.02832	5.5
134.03584	4.1
135.04381	8.0
137.02354	10.8
137.05962	96.5
139.03893	37.3
145.02827	1.3
147.04391	8.0
148.05170	1.2
149.02324	2.9
149.05933	6.3
151.03917	2.6
155.03389	18.7
157.05089	0.8
161.02322	1.1
163.03880	11.4
164.04657	4.2
165.01843	1.4
167.03380	38.5
167.06992	5.9
175.03896	1.4
177.05476	9.3
179.03328	1.4
180.04146	12.1
183.04384	1.7
187.07518	1.6
191.03354	8.4
193.04907	5.6
195.06493	3.6
200.04610	1.2
211.03957	1.2
211.06021	4.8
214.06230	1.3
215.07024	6.2
221.04512	0.8
225.05339	1.2
227.07214	1.1
228.04092	1.4
233.08032	3.9
239.05440	6.3
242.05704	3.0
243.06487	25.3
253.04912	4.7
257.04245	1.6
257.08109	3.1
259.09686	0.8
270.05414	0.8
271.05981	48.5
272.06775	6.5
275.08942	2.6
281.04453	1.2
285.07535	5.6
299.05426	1.6
303.08597	30.3
313.07089	3.8
331.08078	100.0
332.08392	0.9
363.10666	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02783	0.9
53.03935	7.4
55.01851	5.3
55.05507	47.7
57.03431	12.7
57.07060	1.4
57.98006	0.9
61.02903	5.9
61.03196	1.0
65.03911	1.1
67.05495	10.6
68.99792	1.5
69.03419	19.5
69.07058	8.6
69.23138	1.1
71.04990	4.2
73.02898	4.7
73.06528	4.4
75.04472	1.0
79.05456	5.4
81.03400	23.8
81.07039	19.2
82.07382	1.6
83.04939	6.0
83.08619	1.9
85.02888	25.3
85.06492	1.7
87.00803	11.4
91.05455	6.7
93.07032	9.0
95.04941	4.5
95.08592	18.5
97.02874	12.0
97.06516	2.5
97.10162	1.6
97.62432	1.0
97.68842	0.9
98.97581	1.5
99.04436	6.6
105.01852	4.5
105.07004	4.5
107.08575	7.7
108.08908	1.6
109.02858	15.3
109.06447	1.4
109.10152	9.1
113.05994	1.8
113.72479	1.0
116.98599	1.8
117.01828	4.0
117.05466	23.5
117.07035	0.9
119.08553	4.8
121.02825	1.9
121.06584	0.9
121.10085	4.4
123.11683	1.8
123.15131	0.9
127.03884	19.4
129.06976	6.2
131.08531	5.5
135.11649	4.2
137.02321	1.6
137.05966	13.7
138.06311	1.5
143.04880	1.8
145.04976	4.0
145.10077	1.1
149.02322	100.0
149.13246	2.0
157.06378	1.2
158.99644	1.2
159.02882	7.3
159.11707	1.2
161.05956	12.2
163.03882	2.3
163.07465	1.4
164.07005	3.7
167.03326	2.2
175.07518	30.2
177.00700	1.5
177.09038	4.7
190.48210	1.0
191.17894	1.4
203.07010	39.5
215.07019	1.7
221.07927	3.3
225.14180	1.1
227.20035	4.5
231.04892	3.7
275.12738	30.8
293.13745	6.6
325.23526	2.5
343.24786	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49358	0.5
54.82086	0.5
55.01863	2.1
56.96534	0.5
57.03428	3.4
59.25978	0.4
61.02920	1.0
67.05486	1.0
69.03419	5.6
69.07050	0.7
70.23294	0.5
71.04973	0.6
71.84930	0.5
79.05481	2.6
81.03388	4.5
81.07042	3.6
83.04951	0.7
83.44221	0.6
85.02895	16.3
91.03973	0.8
91.05462	12.6
93.07034	2.7
95.04961	4.4
95.08597	1.9
97.02895	5.3
103.05447	2.9
105.07013	3.2
105.25253	0.6
107.04942	3.4
107.08546	0.9
109.02865	0.7
109.06505	2.4
109.10138	1.1
117.06980	1.2
119.04926	13.5
121.06509	5.2
122.03644	2.9
123.04376	0.6
123.08075	1.0
127.03905	3.4
128.06151	0.9
129.06996	7.7
131.04860	4.6
133.06471	2.5
134.03671	0.7
135.08014	3.7
136.05202	1.3
137.02348	2.6
137.05960	62.8
138.06294	2.5
141.06999	0.6
143.04889	2.1
145.04999	0.6
145.06479	2.5
146.03606	0.7
147.04361	0.6
147.08044	0.7
149.05972	8.0
151.03859	2.3
151.07526	66.9
153.07036	0.6
157.06480	9.1
158.07341	0.8
159.08017	0.7
160.05153	0.7
161.05952	9.6
161.09618	3.7
163.03845	1.8
163.07509	18.8
165.06972	2.7
165.09094	3.1
167.08531	9.1
169.06482	0.8
174.06714	5.1
175.07497	5.0
177.06886	0.8
177.07375	0.7
177.09081	11.8
178.07747	1.1
179.08562	0.8
181.10086	0.8
182.07251	0.6
187.07533	0.9
189.09077	21.6
189.10779	1.0
191.08441	0.9
193.06454	2.6
193.10181	4.4
194.07419	0.6
195.08040	17.1
196.08749	0.9
197.06035	0.8
197.09604	0.9
206.07274	1.1
207.10136	3.0
209.09589	1.3
210.06721	3.0
211.07619	1.0
212.08278	2.2
215.06815	0.6
219.08043	0.7
221.06027	5.7
221.09578	7.3
223.07526	9.6
224.08302	2.2
225.09151	5.7
227.10632	25.7
233.09686	0.9
234.06824	0.7
235.07582	0.6
237.09042	1.9
238.06189	2.2
238.09770	0.7
239.10622	0.9
240.07747	2.3
241.08611	0.7
241.12187	0.9
248.08406	0.6
249.09018	4.6
252.07947	1.2
253.08517	9.2
253.12225	12.6
254.09308	1.1
255.10112	23.1
265.08527	0.7
267.10123	4.6
269.08060	2.6
269.11536	2.2
270.08817	1.0
272.10349	3.1
281.11713	4.3
285.11127	15.0
287.12723	28.8
297.11179	1.2
299.12781	2.1
301.14453	1.1
311.12604	2.3
313.14282	19.7
325.13824	0.9
331.15344	100.0
332.15692	0.9
343.15329	3.2
372.95383	0.7
401.23276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05497	1.0
67.05492	4.4
69.03419	2.3
69.07059	2.0
70.21618	0.7
71.04971	1.3
79.05469	3.6
81.03394	1.8
81.07038	7.2
83.08614	1.6
85.02888	8.6
85.06557	1.8
91.05463	15.2
93.07030	4.5
95.04952	2.3
95.08596	4.8
97.02892	2.0
97.06532	1.0
99.08060	1.3
103.05458	9.4
105.07000	5.3
106.07336	1.0
107.04957	4.4
107.08608	2.0
109.02827	1.1
109.06492	1.8
109.10155	4.6
111.04513	0.8
115.05418	1.6
117.07030	4.7
119.04947	6.7
119.08569	8.9
121.06467	1.5
121.10110	1.3
122.03619	2.2
123.04349	1.2
123.08056	1.2
125.01589	1.0
128.06213	2.2
129.06984	8.3
131.04915	16.5
131.08565	1.3
132.05675	5.0
133.10130	4.9
134.41035	0.8
135.08067	2.1
137.05959	100.0
138.06305	1.6
145.06479	1.8
147.04413	1.0
147.08060	7.0
147.11751	0.8
149.04900	1.1
149.06024	4.8
151.07533	32.1
157.06456	6.1
160.05171	6.5
161.05968	6.2
163.03897	2.2
163.07510	25.6
163.08751	1.6
165.07007	1.6
165.09125	1.0
167.08565	4.2
169.06503	1.4
171.02068	1.4
173.13292	0.9
174.06760	3.3
175.07509	61.4
186.06693	1.9
187.07671	1.2
189.09045	13.2
193.06488	1.6
193.10110	1.6
195.08002	9.0
212.08308	1.6
219.10138	1.5
221.05894	4.0
221.09616	4.7
223.07567	3.4
225.09087	1.3
227.10577	10.5
253.08540	4.3
253.12201	4.6
255.10144	11.1
281.11655	1.2
285.11163	6.3
287.12799	15.9
313.14221	11.8
325.14386	5.7
331.15359	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62553	0.3
53.03936	0.5
55.01862	0.7
57.03416	1.8
61.02903	1.9
62.95437	0.3
69.03413	4.4
71.04980	0.5
73.02879	0.5
79.05457	0.8
81.03407	2.2
81.07008	0.5
83.04944	0.4
85.02421	0.9
85.02894	14.7
91.05463	15.2
94.04188	0.8
95.04951	3.8
97.02892	4.3
99.04427	2.0
103.05441	2.0
105.07019	2.0
107.04954	3.3
109.02851	1.0
109.06503	3.1
111.04414	0.4
111.25532	0.4
115.05444	0.9
117.07008	0.9
119.04931	12.8
121.06487	3.8
122.03584	3.6
127.03918	1.8
128.06177	2.5
129.06984	9.5
131.04915	4.4
131.08524	0.7
133.06453	1.8
135.08044	4.1
136.05185	1.8
137.05959	62.5
143.04892	0.9
145.04936	0.8
145.06436	1.9
147.04390	0.8
149.05957	9.3
151.03909	2.1
151.07524	67.2
157.06476	9.6
160.05177	0.5
161.05972	9.7
161.09612	2.5
162.06728	0.5
163.03848	0.7
163.07518	18.6
165.06947	2.9
165.09105	3.6
166.07800	0.8
167.08531	10.2
169.06439	0.6
174.06715	5.2
175.07506	6.4
176.08141	0.5
177.09084	5.5
178.07739	2.4
181.10081	0.9
182.07185	1.0
187.07448	0.7
189.09085	22.5
189.10767	0.8
193.06438	4.2
193.08525	0.6
193.10068	5.1
194.07185	0.6
195.06372	0.8
195.08034	16.6
195.64323	0.4
196.08896	0.6
197.05974	1.9
197.09607	0.9
203.08525	0.9
206.07280	0.8
207.08182	0.7
207.10143	4.2
209.05948	0.5
209.09683	3.1
210.06732	3.2
211.07585	1.8
212.08284	3.0
219.07919	0.8
220.08723	0.5
221.06000	6.2
221.09575	9.5
222.06572	0.5
223.07541	9.0
224.08295	2.4
225.05524	0.8
225.09065	6.6
227.07144	0.9
227.10625	26.6
235.07549	1.0
237.09085	2.6
238.06218	2.9
238.09824	1.0
239.06927	1.7
240.07790	3.6
241.08482	1.7
241.12213	1.0
249.09033	3.4
251.10588	0.7
252.07697	0.9
253.08537	10.6
253.12181	12.1
254.09283	0.7
255.10109	24.9
261.09137	0.6
265.08530	0.8
266.09149	0.7
267.10104	5.7
269.08026	3.3
269.11578	1.1
270.08722	1.8
272.10455	3.0
281.11618	4.0
284.10474	0.8
285.11133	15.1
287.12720	28.6
297.11075	0.6
298.12064	0.8
299.12662	2.3
311.12634	0.8
313.10632	0.6
313.14282	22.3
331.15338	100.0
343.15488	3.0
421.16528	0.8
457.18127	0.5
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
53.03916	0.2
57.03408	0.4
57.25374	0.1
60.04527	0.2
61.02895	0.8
66.40829	0.2
67.05492	0.3
69.03416	1.9
71.04966	0.3
74.60564	0.2
81.03376	0.8
85.02420	0.3
85.02888	6.3
91.03899	0.2
91.05451	1.7
94.48908	0.2
97.02882	1.9
99.04410	0.3
103.05435	0.4
105.07010	0.3
109.02856	0.7
111.04403	0.4
115.05425	1.6
116.06197	0.3
117.07034	0.6
119.08555	0.3
121.10072	0.2
122.03632	0.2
123.04401	0.2
127.03850	0.7
128.06213	1.3
129.06981	13.9
130.07727	0.2
131.04927	1.5
131.08542	12.9
137.05965	5.8
141.06970	10.0
143.04872	0.8
143.08549	0.8
144.05698	1.3
145.04939	0.4
145.06496	1.6
146.07239	0.8
147.04320	0.3
147.08008	0.2
148.05060	0.3
149.06065	0.2
151.03882	1.4
151.07565	0.7
152.04276	0.3
157.06461	11.3
158.07243	4.5
159.04338	0.4
159.08028	10.4
160.05174	1.3
161.05956	0.4
161.09528	1.4
162.06569	0.2
163.03819	0.3
163.07523	1.1
169.06429	5.7
169.07625	0.4
170.07242	2.2
171.02040	0.2
171.08017	0.4
173.05937	0.4
174.06728	25.0
175.07494	5.4
186.06726	6.1
187.07527	0.8
188.08395	1.2
189.09067	43.5
190.09464	0.4
191.06970	0.4
191.10629	2.7
201.09081	15.3
203.10637	0.2
207.10158	1.3
219.10127	100.0
220.10451	0.7
237.11171	0.7
252.44016	0.2
381.15494	1.5
423.40976	0.2
532.23480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00811	0.2
55.01864	0.5
56.11803	0.2
65.03928	0.2
66.04689	0.2
68.57909	0.2
69.03419	1.5
79.05479	1.3
81.03418	0.3
83.36608	0.2
85.02895	2.1
91.05458	7.5
93.07010	0.4
94.04163	1.3
97.02832	0.4
97.93444	0.2
103.05449	10.9
104.06224	0.8
105.07005	3.2
107.04943	2.7
109.77319	0.2
115.05428	4.3
117.06993	3.7
119.04945	0.9
119.08554	11.7
121.06461	0.7
122.03616	5.1
128.06198	2.4
129.06969	5.1
131.04900	21.1
131.08641	0.2
132.05685	9.3
133.06447	1.7
135.08046	0.4
137.05951	77.0
138.06253	0.4
141.06944	1.3
143.04897	1.2
144.05614	0.2
145.06482	1.8
146.07220	0.3
147.04358	1.0
147.08029	13.7
148.05128	0.3
149.05980	0.3
151.07495	0.3
155.06006	0.3
157.06456	1.0
158.07230	0.3
159.08038	0.8
160.05156	7.6
161.05930	0.5
163.07504	25.5
169.06476	2.2
173.09665	0.2
174.06731	0.3
175.07506	100.0
176.07793	1.1
186.06747	1.6
187.07474	1.4
188.08203	0.3
188.18669	0.2
189.09044	1.2
193.08574	5.4
201.09039	1.8
210.15709	0.2
219.10051	0.4
233.09491	0.4
293.11441	0.7
325.10550	0.3
325.14264	7.5
343.15396	2.3
423.11960	0.3
463.78592	0.3
481.95996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01853	0.6
57.03430	0.8
58.38482	0.8
62.90097	0.7
63.00484	0.7
67.05483	1.0
68.99780	1.0
69.03413	3.8
76.93314	0.7
79.51667	0.7
81.03402	1.6
81.07014	2.5
85.02902	5.0
91.05463	4.3
94.04145	1.1
97.02863	3.1
103.05447	8.3
105.07014	2.8
107.04911	1.1
117.07004	3.3
119.04931	4.3
119.08567	4.5
121.06444	0.8
122.03633	4.7
123.04438	0.8
127.03899	1.0
129.06941	4.9
131.04904	19.9
132.05685	1.7
133.06445	1.4
137.05956	100.0
145.06470	4.5
147.04445	6.1
147.08043	4.3
148.05142	0.9
151.03882	13.8
151.04973	1.0
155.04895	7.0
157.06439	1.0
160.05211	2.9
163.03925	1.3
163.07510	18.1
166.51054	0.8
173.05959	10.3
175.03903	4.5
175.07507	34.5
177.05424	0.9
183.04401	11.3
183.20166	0.8
193.04919	10.2
193.08665	0.9
195.08115	1.0
201.05441	32.5
218.07083	1.0
219.06381	12.5
223.07610	0.9
229.06494	4.5
241.08682	0.9
246.06801	1.2
247.07474	7.0
257.05887	3.1
261.09042	1.0
264.07697	3.1
265.08609	1.7
275.06998	8.1
279.09897	2.3
283.09619	1.1
288.77591	0.8
289.08658	1.1
292.07254	3.0
293.07968	2.8
296.31851	0.8
299.12659	1.2
307.09564	21.6
311.53452	0.8
325.10666	40.0
325.14169	2.9
343.11713	5.6
359.18546	0.7
361.12585	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	539.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
53.55406	1.7
55.01855	2.2
55.05264	3.1
55.05509	57.0
57.03416	4.1
57.07067	9.4
67.05495	30.6
69.03397	13.1
69.07059	47.7
71.01321	2.1
71.04981	4.0
71.08586	3.0
71.22345	1.9
79.05476	23.4
81.03371	5.3
81.07040	93.2
82.07355	2.8
83.04964	11.9
83.08610	19.8
85.02902	12.0
85.06535	15.3
91.05452	15.0
93.07030	46.9
95.04948	10.9
95.08585	80.4
97.02867	5.2
97.06506	14.2
97.10156	100.0
99.08068	4.1
105.07003	22.2
107.08575	48.4
109.02872	3.2
109.06489	3.7
109.10143	46.5
111.08052	8.9
111.11644	6.8
119.08562	16.8
121.10122	37.7
123.08091	4.8
123.11687	30.3
123.40318	2.3
125.09641	19.8
127.03841	2.9
129.07030	2.7
131.08511	2.5
133.10120	13.0
135.11681	18.5
137.05928	18.2
137.09637	2.8
137.13226	11.5
139.11179	12.7
143.10626	23.4
145.10059	3.9
147.04384	2.7
147.11642	10.0
149.09567	2.9
149.13269	23.3
151.11127	3.5
159.11626	3.8
161.13217	9.8
163.03949	4.3
163.14786	4.0
167.10634	3.0
167.14307	3.3
175.14792	4.3
177.12775	2.3
177.16331	2.8
179.14227	2.5
185.11731	8.0
189.11256	11.6
211.23965	2.6
215.06963	3.8
273.18271	2.9
287.23560	2.9
291.19247	3.7
293.24643	3.6
305.24768	21.4
311.25876	9.8
323.25742	53.6
329.26871	3.4
359.23969	3.9
359.27884	9.1
441.02838	2.5
480.06003	2.3
505.64984	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	539.3428
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.00274	0.3
53.03929	1.3
53.20199	0.2
55.01860	0.2
55.05505	6.0
57.03415	1.2
57.07066	2.6
59.04992	2.2
64.34155	0.3
67.05194	0.3
67.05495	6.1
69.03423	2.8
69.07054	7.2
71.04983	2.0
71.08596	0.3
73.06538	0.3
79.05466	2.2
80.05000	32.3
81.03387	1.1
81.07037	13.8
82.07368	0.3
83.01302	0.3
83.04967	10.1
83.08589	2.2
83.09018	0.2
85.02885	3.4
85.06528	2.4
91.05444	1.4
93.05781	0.3
93.07024	5.2
94.06512	0.3
95.04953	7.3
95.08584	9.6
96.04479	0.3
97.02870	1.5
97.06503	1.3
97.10145	5.3
99.04411	0.5
99.08044	0.3
105.07019	2.6
107.08586	4.3
109.02846	0.9
109.05241	0.9
109.06493	2.9
109.10136	5.9
110.06003	1.0
111.04411	0.3
111.08095	0.3
111.11702	1.6
113.05991	3.9
117.06935	0.6
119.08566	2.3
121.06500	0.4
121.10109	3.3
123.08060	0.5
123.11693	5.5
124.11207	0.9
125.09595	1.4
127.03884	0.9
131.08565	1.0
133.10078	1.4
135.08014	1.3
135.11668	1.5
137.05957	1.1
137.08292	0.5
137.09622	0.4
137.13217	1.7
138.05489	5.1
139.11185	0.6
143.08591	0.4
143.10651	1.1
145.10078	1.5
147.04350	0.5
147.11627	1.1
149.09608	0.6
149.13213	2.0
151.14752	0.4
152.10693	16.6
155.14273	0.3
159.11693	0.4
161.06004	0.4
161.13231	0.4
163.03839	1.4
163.11127	0.5
163.14897	0.4
171.11688	0.3
173.02327	0.3
173.06029	0.5
173.13234	0.3
180.10165	100.0
181.10573	1.9
187.13255	1.0
189.11154	0.4
189.16322	0.4
193.19490	1.4
211.20634	0.4
215.06981	0.5
229.21643	0.6
259.09613	0.4
273.18417	0.3
286.52597	0.3
287.23651	0.5
305.24643	5.2
315.08508	0.4
323.25665	4.0
359.27982	0.3
467.29718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99979	1.7
50.72810	2.0
51.11994	1.6
53.00309	1.6
53.03920	3.3
55.01858	10.6
55.05503	26.3
55.86456	1.6
57.03425	14.4
57.07056	13.5
57.07291	1.7
58.13018	1.8
61.02914	52.9
65.66676	1.8
67.05495	59.6
69.03422	18.1
69.07055	17.2
71.04982	4.3
71.08620	2.0
73.02892	14.0
79.05473	49.6
81.03394	4.4
81.07039	42.7
83.04951	2.4
83.08653	2.0
85.02899	43.2
85.06532	3.8
91.03962	16.2
91.05460	82.5
93.07023	42.8
95.04947	4.1
95.08582	20.9
95.61980	2.5
97.02870	27.6
97.06549	2.4
99.04411	2.9
101.02390	2.2
103.05446	2.9
105.07017	59.7
106.23759	1.9
107.08591	22.5
109.02929	2.6
109.06463	3.2
109.10132	7.4
115.05422	8.4
117.06997	74.0
119.08559	34.7
121.10145	14.4
123.11718	3.0
127.03927	3.1
128.06227	9.8
129.06985	53.5
130.07799	2.7
131.08540	100.0
133.10129	21.8
135.08043	8.7
135.11653	4.3
137.09413	2.2
141.06979	49.5
143.08577	26.8
144.09377	2.9
145.10097	61.5
147.08023	11.4
147.11658	11.5
149.09589	13.1
149.13268	2.9
155.08522	26.9
157.10132	26.5
159.08066	10.0
159.11697	24.8
161.09584	9.6
161.13242	4.7
167.08542	2.6
169.10106	40.7
171.11650	17.7
173.09616	8.6
173.13240	13.6
175.14832	8.7
181.10179	2.2
183.11655	26.6
184.12138	2.1
185.13266	3.3
187.11090	14.1
187.14754	15.4
189.12802	2.9
197.13145	17.4
199.14757	4.4
201.12859	15.5
201.16353	17.2
211.14774	12.1
213.16321	2.5
215.14288	9.7
215.17906	3.0
217.15962	2.3
225.16307	4.1
241.19467	5.0
243.21028	21.8
257.19077	2.9
257.22629	10.4
267.21057	33.2
285.22095	75.0
303.23151	4.0
316.01505	2.2
377.26773	80.9
389.25906	2.0
393.30844	2.2
508.50610	2.6
521.30249	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	539.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
54.77581	2.0
55.01864	12.1
55.05512	18.0
57.03433	21.7
57.07057	14.4
61.02919	49.4
63.20897	2.2
67.05498	60.0
69.03412	14.4
69.07061	17.5
70.94486	2.6
71.04967	4.5
71.36844	2.7
73.02916	17.0
79.05479	50.9
81.03417	5.4
81.07048	43.7
83.04995	3.5
83.08613	4.1
85.02891	38.8
91.03943	20.2
91.05471	94.8
93.07039	55.7
95.04956	6.1
95.08595	30.3
97.02885	25.2
99.04447	3.4
101.02367	3.1
105.07022	60.6
107.08590	19.6
109.06429	3.3
115.05467	4.8
117.07014	65.2
119.08575	43.3
121.06468	3.4
121.10133	18.4
127.03905	4.3
128.06238	3.8
129.05469	9.6
129.06972	44.5
131.08557	100.0
133.10153	21.3
135.08089	3.9
135.11659	9.9
137.05881	2.4
141.06979	35.5
143.08542	25.8
144.09302	3.0
145.06438	2.6
145.10127	64.6
147.08035	4.8
147.11674	9.0
149.09654	9.3
149.13210	2.9
154.07748	3.9
154.08984	2.4
155.08562	17.3
156.09174	2.3
157.10130	26.8
159.11676	30.3
161.09615	5.3
161.13226	5.8
163.14912	2.3
167.08551	4.2
169.10086	38.6
171.11668	14.9
173.09552	3.3
173.13223	19.0
175.14771	9.6
177.12868	2.3
183.11649	27.3
185.13264	10.2
187.11160	20.6
187.14772	9.6
189.12744	2.7
189.16457	8.7
197.13228	12.4
201.12723	16.8
201.16411	22.3
211.14772	12.2
213.16296	3.0
215.14319	5.9
217.15958	3.2
225.16356	5.5
241.19540	11.3
243.20953	25.7
257.19040	2.8
257.22534	4.8
267.20984	42.0
285.22128	82.6
303.23145	9.6
359.25748	3.0
377.26822	83.1
478.71918	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41862	0.2
52.59534	0.2
53.03927	0.8
53.32807	0.1
55.01855	0.4
55.05503	5.7
57.03416	1.0
57.07065	2.5
59.04993	2.5
59.56046	0.2
61.02904	0.3
65.03918	0.3
67.05494	5.7
67.23959	0.2
69.03413	2.7
69.06710	0.3
69.07053	5.7
70.06543	0.3
71.04974	2.0
73.02895	0.3
73.06531	0.3
79.05473	2.3
80.04999	31.6
81.03384	0.8
81.07040	12.3
82.06557	0.3
83.04968	9.2
83.08608	2.1
85.02888	3.2
85.06535	1.8
86.49245	0.2
91.05442	1.0
92.09290	0.4
93.05753	0.3
93.07023	4.0
94.06528	0.2
95.04949	7.9
95.08583	9.7
96.08946	0.3
97.02860	1.2
97.06506	1.6
97.10153	5.1
98.06002	0.2
99.04451	0.3
99.08083	0.3
105.07018	2.5
106.07321	0.2
107.04915	0.2
107.08582	4.3
109.02861	0.4
109.05229	1.0
109.06510	2.0
109.10143	5.3
110.06020	0.8
110.10425	0.3
111.08022	0.3
111.11725	0.7
113.05991	4.2
113.50253	0.2
117.07027	0.2
119.08566	2.6
121.06451	1.1
121.10120	3.3
123.08013	0.8
123.11678	4.0
124.11228	1.1
124.12017	0.3
125.06028	0.2
125.09606	1.1
127.03876	0.8
131.04866	0.2
131.08553	0.8
132.08792	0.2
133.10091	1.5
135.04427	0.3
135.08052	1.6
135.11693	1.6
137.02319	0.3
137.05968	1.1
137.08339	0.4
137.09587	0.3
137.13263	1.6
138.05482	5.5
139.11153	0.4
143.08556	0.3
143.10654	1.3
145.10104	1.5
147.04340	0.3
147.11665	0.8
149.09581	0.9
149.13239	1.4
151.11136	0.4
152.10695	16.1
157.10048	0.4
157.84677	0.2
159.11679	0.9
161.09572	0.2
161.13232	0.9
163.03860	1.0
163.11179	0.4
163.14806	0.4
167.10614	0.3
171.11659	0.2
173.13228	0.3
175.14935	0.2
177.12714	0.2
177.16417	0.3
179.14359	0.3
180.10165	100.0
181.10506	0.3
187.14809	0.2
189.11153	0.3
189.16319	0.3
193.19492	1.3
199.14859	0.2
211.20563	0.3
223.16719	0.2
229.21637	0.9
259.09616	0.4
269.04266	0.3
275.23627	0.2
287.23627	0.7
289.25192	0.3
293.24786	0.8
305.24649	4.8
323.25815	4.4
341.27020	0.3
359.27869	0.2
447.63486	0.2
467.29810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66613	1.2
53.03951	3.6
55.01867	8.1
55.05507	42.1
57.03418	1.5
61.92692	1.7
67.04145	1.6
67.05495	40.3
67.87652	1.6
69.03426	2.7
69.07058	15.5
71.04983	2.1
79.05478	43.8
81.03394	19.6
81.07046	45.9
83.04973	11.5
83.08614	31.1
91.05469	44.7
92.08675	3.9
93.07034	36.5
95.04955	48.4
95.08594	29.4
97.06522	8.0
97.10145	8.3
97.24153	1.8
100.15885	1.7
105.07014	44.0
107.04942	19.1
107.08588	28.1
108.54474	1.5
109.06506	10.7
109.10146	11.4
111.08074	4.0
117.07011	17.0
119.08570	38.2
119.74433	1.7
121.06502	7.0
121.10120	18.7
123.08051	2.5
123.11723	2.4
125.09641	3.3
129.07033	7.3
131.08556	23.4
133.06476	2.0
133.10100	35.5
135.08032	11.1
135.11635	11.4
137.09631	6.4
141.06898	1.7
143.08511	3.4
145.10109	32.9
147.08008	2.7
147.11679	15.6
149.09607	29.0
151.11148	2.7
155.08548	3.5
157.10167	9.4
159.11653	18.5
161.13257	2.4
163.11177	39.1
165.12790	2.6
169.10008	4.9
171.11676	2.1
173.09598	3.8
173.13185	3.8
175.11244	3.6
183.11626	2.0
185.13168	2.7
187.11458	1.7
189.11162	3.6
193.12233	8.8
197.13246	3.4
211.13213	14.0
215.31654	2.0
223.13200	18.2
229.19576	3.4
239.17932	9.6
256.26315	3.4
257.18936	14.0
275.20020	100.0
293.21069	53.7
538.51660	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	538.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
54.82126	1.4
55.01862	7.9
55.05508	51.4
57.03433	2.0
57.52502	1.5
61.01086	1.7
67.05501	43.2
69.07072	19.2
71.04993	1.9
78.68716	1.7
78.92731	1.5
79.05481	43.9
79.17681	1.7
80.93292	1.6
81.03392	24.1
81.07044	49.9
83.04970	11.5
83.08620	30.3
88.07655	3.8
91.05465	41.5
93.06487	2.3
93.07026	40.5
95.04952	50.0
95.08590	27.8
97.06526	4.2
97.10150	10.9
105.07023	42.2
107.04960	14.4
107.08601	32.7
109.06530	4.0
109.10147	14.1
111.08041	9.6
117.06999	17.4
119.08572	45.2
121.06485	9.4
121.10101	19.8
123.08064	8.2
123.11668	2.6
125.09608	4.3
129.06969	7.2
131.08549	25.2
133.10120	31.8
135.08029	8.1
135.11691	4.4
137.09607	7.1
143.08510	2.5
145.06473	2.1
145.10120	30.2
147.08043	2.9
147.11639	16.3
149.09615	36.6
149.13266	2.3
151.11192	3.8
157.10135	7.9
159.11688	11.4
161.09647	2.3
161.13255	2.4
163.11162	35.8
165.12776	3.7
171.11638	2.7
173.09543	8.2
173.13234	3.4
175.11078	2.7
177.12697	2.7
183.11734	2.6
185.95897	2.0
187.11200	3.6
189.11116	2.8
193.12216	9.4
211.13213	15.6
223.13327	17.1
229.19403	2.4
239.17873	12.4
240.59831	1.9
256.26257	4.2
257.18982	15.5
275.20023	100.0
293.21100	56.7
334.67032	1.9
424.11765	2.1
538.51727	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01878	0.9
61.02906	0.3
63.27808	0.3
67.59225	0.3
69.03413	1.6
70.59957	0.3
79.05473	0.6
81.03400	0.6
81.07037	1.2
82.56906	0.3
85.02890	4.1
91.05460	4.5
93.07021	2.0
94.04163	1.6
95.04922	1.3
97.02859	1.4
103.05456	2.4
105.07017	5.8
107.04952	1.1
108.81942	0.3
109.06504	1.8
114.95045	0.3
115.05438	1.9
117.06992	2.5
119.04974	0.4
119.08563	2.3
121.06457	3.0
122.03622	4.9
128.06210	1.0
129.06978	1.8
130.04195	0.3
131.04895	1.6
131.08527	0.4
132.05693	1.4
133.06462	6.2
135.04343	0.5
137.05956	100.0
139.07494	0.5
141.06982	0.4
141.76451	0.3
143.04915	0.5
143.08510	0.3
145.04900	0.3
145.06438	3.2
147.04404	1.4
147.08020	2.9
149.05957	6.0
151.07547	0.7
155.04860	0.4
156.05693	0.3
159.08022	2.3
160.05194	1.4
161.05939	15.0
162.06696	2.6
163.07465	0.4
165.06970	0.4
167.07034	0.3
171.08015	0.6
172.05165	0.7
173.05966	1.2
175.07506	21.4
175.73706	0.3
177.09071	0.6
179.07010	1.1
184.05208	0.3
185.05977	0.6
187.07524	7.1
189.09071	0.3
190.07759	2.0
191.08539	6.4
193.07014	0.3
193.08565	4.0
199.07518	3.2
202.07716	0.7
203.08521	2.7
205.06862	0.5
205.08513	2.6
207.08086	0.6
208.08968	0.5
217.08598	0.3
218.07312	1.1
219.08041	8.8
220.08830	1.7
221.05983	0.6
224.08191	0.4
225.09097	0.4
231.07953	2.5
232.08710	0.4
235.07446	0.5
235.20490	0.3
236.08379	2.2
237.08920	0.4
247.07462	3.9
248.08224	1.9
251.10600	12.2
253.08476	0.4
259.07504	1.7
260.08282	0.7
261.08987	0.5
263.10611	1.5
264.07800	0.5
265.08588	0.4
269.11749	0.5
276.07733	0.6
277.08533	0.5
279.10114	9.0
280.10861	1.1
281.07983	0.7
283.09723	0.4
291.10086	3.4
296.10275	0.6
297.10944	0.4
309.11252	1.1
311.12711	17.4
311.16339	0.6
323.12747	5.8
329.13788	2.9
341.13727	6.6
359.14664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59648	0.7
54.81935	0.9
55.01863	1.0
55.05500	1.8
56.96534	0.9
67.05492	1.7
69.03407	4.6
69.07042	3.4
71.04948	0.9
77.59824	0.8
79.05466	1.8
79.54714	0.9
81.03391	1.0
81.07040	6.0
83.04946	1.4
85.02889	8.1
87.00803	1.0
91.05453	6.1
93.07012	1.8
94.04160	1.6
95.04945	1.3
95.08559	4.3
97.02856	3.2
97.06533	1.0
99.08068	1.3
103.05442	3.5
105.07005	11.5
107.04932	1.8
107.08560	1.5
109.06470	3.6
109.10140	1.4
111.04375	0.9
115.05434	4.1
117.06957	1.1
119.08549	5.8
119.97041	0.8
121.06486	1.4
121.10114	3.2
122.03619	7.3
123.04404	0.9
127.03857	1.2
128.06126	1.9
129.06984	3.9
131.04880	5.6
132.05698	1.5
133.06483	6.8
133.10085	1.9
137.05951	100.0
138.06310	3.7
139.83528	0.8
143.04918	1.3
145.10124	3.1
147.04411	1.4
147.08014	4.4
147.11668	1.3
148.11998	1.0
149.05946	1.3
151.07570	1.1
155.04852	1.4
157.06396	1.1
159.08000	3.5
160.05179	3.6
161.05960	15.4
163.03795	1.5
163.07433	1.5
165.06859	0.9
167.07037	0.8
172.05122	1.2
175.07507	33.4
187.07501	16.2
189.09061	1.5
190.07727	4.1
191.08499	19.0
199.07434	5.1
202.07729	1.1
203.08540	4.0
205.08466	1.1
207.08055	1.1
208.08829	0.9
217.08691	0.9
218.07231	5.5
219.07991	24.8
220.08720	1.8
224.40080	0.9
231.08031	4.9
233.09435	1.0
235.09396	1.2
236.08237	5.4
247.07492	8.7
248.08177	3.4
251.10585	34.6
259.07468	1.5
261.08963	1.4
263.10614	1.6
264.07648	3.5
277.08478	1.1
279.10059	20.9
280.11020	1.0
281.08005	1.4
288.05771	1.9
289.05698	1.7
290.06421	1.0
291.10004	3.3
292.10803	1.6
296.10367	1.8
303.23169	1.3
311.09232	1.6
311.12701	37.6
323.12848	5.8
341.13864	3.8
449.15314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94110	0.3
53.95697	0.3
55.01870	0.6
61.02914	1.7
65.03924	0.4
65.06953	0.3
69.03428	2.5
71.05015	0.5
79.05482	0.7
80.23068	0.3
81.03404	3.2
81.07021	0.7
82.15519	0.3
82.77674	0.3
84.92220	0.3
85.02421	0.5
85.02894	10.7
91.03947	0.5
91.05460	1.5
93.03390	0.4
93.06995	0.3
94.04153	1.5
95.05029	0.4
97.02864	2.9
103.05459	1.6
105.14434	0.4
107.04884	0.4
109.02866	1.3
109.06520	1.9
111.04421	1.4
115.05434	7.6
117.07007	3.0
122.03613	4.3
125.05963	1.7
127.03893	1.4
128.06203	0.8
129.06995	7.9
131.04912	4.8
137.05959	98.2
143.04903	15.1
144.05634	2.0
145.04941	0.7
145.06467	1.9
146.03642	1.4
146.82716	0.4
147.08084	0.4
151.03912	0.7
151.07515	0.6
153.05426	3.7
157.06464	6.4
160.05170	20.0
161.05960	4.5
163.07507	2.8
165.05418	0.5
172.05141	2.9
173.05865	0.5
174.06721	2.4
175.07515	100.0
176.07893	0.6
177.09042	0.5
180.08716	0.4
187.07513	39.2
188.08365	0.4
189.09039	6.9
191.08549	0.9
202.55640	0.4
203.08519	1.6
205.08586	11.9
211.07542	2.7
217.08559	2.8
219.07961	3.2
220.08784	0.5
227.07092	0.7
231.07916	3.4
235.09607	14.0
239.06992	1.4
240.07755	0.6
247.07391	0.8
248.08168	2.5
251.10538	0.7
255.06409	0.6
256.07205	0.5
259.07425	0.7
263.10556	2.4
264.07578	0.5
265.08484	0.5
270.08771	1.9
271.09586	1.9
276.07803	1.7
277.08371	0.5
279.10117	1.8
283.09329	0.6
291.10104	4.9
292.10696	0.4
311.12674	2.3
323.12799	5.1
341.13724	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	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	3.9
55.05500	36.3
57.03428	7.3
57.07067	52.6
66.96600	4.3
67.05482	61.7
69.07043	27.0
70.06576	6.4
71.08607	35.0
76.55991	4.4
79.05466	47.8
81.07026	54.3
83.04920	5.9
83.08624	8.2
85.06509	5.2
85.10140	5.4
88.07611	10.7
91.05465	47.4
91.05930	4.8
93.07014	32.5
95.04967	9.7
95.08570	36.7
102.09148	10.7
105.07003	30.4
107.08554	10.3
109.10129	9.5
119.08559	12.3
129.06966	10.6
133.10085	6.4
134.62238	5.9
147.11642	22.0
171.11630	7.0
216.36423	5.3
256.26257	32.3
257.26675	5.7
281.17386	21.3
313.27390	46.1
519.40637	100.0
536.50061	32.5
537.50604	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	537.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01865	2.8
55.05270	2.1
55.05505	44.6
57.03428	5.1
57.07054	8.7
67.05193	2.0
67.05496	32.1
69.03422	29.8
69.06712	3.2
69.07056	60.0
71.04975	11.2
79.05472	25.8
81.03394	10.2
81.07039	100.0
83.04974	17.5
83.08594	14.1
85.02898	12.6
85.06514	4.9
91.05462	18.1
91.05938	1.9
93.07035	46.2
95.04949	20.0
95.08002	3.9
95.08580	69.5
97.02861	9.8
97.06510	43.1
97.09527	3.2
97.10144	66.1
99.04443	3.2
105.07003	33.5
107.08572	43.5
108.08913	3.6
109.02833	3.2
109.06482	13.8
109.10150	45.5
111.08058	8.8
113.05991	2.2
117.06982	3.7
119.08526	24.4
121.10120	31.4
123.08006	8.1
123.11681	27.5
125.09600	13.4
127.03918	3.6
131.08563	13.2
133.10120	18.3
135.04399	10.3
135.11696	24.7
137.05965	23.1
137.09604	4.4
137.13248	4.5
139.11154	9.1
143.10628	13.2
145.02843	3.6
145.10091	12.9
147.11687	18.0
149.09563	2.9
149.13217	9.7
151.11179	2.6
151.14813	2.2
153.12711	9.0
159.11638	16.9
161.02310	2.5
161.05956	4.6
161.09518	2.2
161.13199	10.4
163.03882	22.2
163.11108	2.8
163.14801	4.1
165.12650	3.8
173.02324	8.8
173.05864	2.8
173.13210	2.4
175.03841	2.2
175.07556	3.2
175.14841	8.8
177.16411	3.5
179.14296	3.1
187.07536	4.2
187.14793	3.7
189.16302	3.5
192.36288	2.3
195.17419	3.7
201.16290	2.7
207.02802	4.6
213.18471	2.4
215.07014	16.3
217.15765	2.3
219.27493	2.3
235.17088	3.5
237.18353	2.5
241.08641	3.8
257.22620	3.0
259.09595	32.7
275.23688	4.5
285.22113	3.2
291.23212	3.5
293.24512	4.9
303.23157	35.2
306.04807	2.1
309.24146	12.5
317.37778	2.3
321.24191	59.6
339.25290	17.7
358.57111	2.2
421.14746	2.7
448.15213	3.2
471.99243	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	537.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01859	2.6
55.05501	25.5
57.03423	2.7
57.07059	5.4
61.02928	1.3
62.51751	1.1
65.03942	1.1
67.05495	32.1
68.99754	1.2
69.03417	18.4
69.07057	32.9
71.04981	8.8
79.05478	30.9
81.03405	6.8
81.07042	100.0
83.04958	9.4
83.08619	10.1
85.02906	13.2
85.06522	8.7
87.00781	1.3
91.05457	26.1
91.33212	1.3
92.64113	1.2
93.07027	88.7
95.04964	16.2
95.08587	83.7
97.02874	7.2
97.06520	17.3
97.10156	19.3
99.04436	5.6
99.08078	6.9
101.05976	1.3
101.71439	1.2
105.07016	64.6
107.08583	65.4
109.02831	1.8
109.06511	8.8
109.10146	53.0
111.08054	10.2
111.11754	1.7
113.05966	2.5
117.07011	12.1
119.08560	61.3
121.06490	2.6
121.10125	47.6
123.08032	7.9
123.11671	20.5
125.09620	10.7
127.03892	2.4
127.07568	1.6
128.19807	1.2
131.08539	23.3
133.10115	39.3
135.04446	2.2
135.08035	2.9
135.11676	39.4
137.02373	1.3
137.05949	7.7
137.09604	8.8
137.13293	1.5
139.11136	5.5
141.09122	1.6
143.08556	5.1
145.02853	1.5
145.10132	19.4
147.04398	2.1
147.08034	1.4
147.11667	54.5
149.09593	6.0
149.12132	2.0
149.13229	24.6
151.07553	1.7
151.11182	17.2
153.01862	8.8
155.10664	1.3
157.10132	4.8
159.08028	1.6
159.11667	27.4
161.09602	2.2
161.13205	16.4
163.03888	12.8
163.07555	1.6
163.11143	6.1
163.14784	15.3
165.12718	12.0
168.43228	1.5
171.11615	4.9
173.02341	1.5
173.05913	1.3
173.13235	18.7
175.11111	1.2
175.14790	9.4
177.12752	7.2
179.14182	1.5
187.14816	16.3
189.12723	1.6
191.14273	26.8
193.15868	1.7
195.13867	2.1
199.14920	1.8
200.10840	1.4
201.16364	2.3
205.15829	2.9
209.15346	52.4
209.17355	1.8
211.14865	1.7
215.07005	5.3
216.10182	11.4
217.10568	14.3
223.16832	1.9
227.16347	28.0
235.16824	2.2
247.16992	1.9
259.09604	7.6
267.21100	5.8
270.14789	7.2
271.15125	13.2
275.23688	2.4
285.22073	10.9
288.15952	10.2
289.06863	7.6
289.16159	19.9
291.23111	13.7
303.23132	52.7
321.24176	26.2
339.25226	7.9
357.26440	2.2
445.37405	1.4
451.21509	2.2
537.20673	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	537.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39428	1.1
53.03941	2.7
53.09536	1.3
54.81961	1.2
55.01857	2.4
55.05507	24.0
57.03431	2.5
57.07066	3.1
57.11338	1.1
59.32309	1.3
65.03943	1.1
67.05499	27.7
69.03403	12.2
69.07061	29.5
69.62119	1.2
71.04974	5.6
79.05471	30.5
81.03398	8.0
81.07043	100.0
83.04963	10.1
83.08169	1.2
83.08600	11.0
85.02897	13.8
85.06515	7.9
91.05472	29.4
93.07027	70.1
95.04964	14.0
95.08595	82.3
97.02850	3.2
97.06512	16.2
97.10164	20.5
99.04444	2.1
99.08059	7.9
103.05442	7.1
105.01810	1.5
105.07021	67.5
105.75632	1.5
107.04955	2.5
107.08585	63.5
109.06490	9.4
109.10146	48.0
111.08096	10.5
113.09644	1.5
117.07005	7.4
119.07717	2.2
119.08572	55.2
121.06496	2.0
121.10131	51.3
123.08038	3.4
123.11694	19.2
125.09616	7.3
127.03873	1.5
127.11158	1.8
129.06990	2.2
131.04903	7.6
131.08540	18.3
133.10121	35.5
135.04411	1.4
135.08012	3.2
135.11674	34.4
137.05969	25.7
137.09581	9.8
137.13223	2.2
139.11179	3.2
139.65767	1.4
143.08562	2.3
144.09370	1.4
145.10095	23.7
147.04382	1.9
147.07983	1.6
147.11682	48.0
149.09605	6.0
149.13242	12.9
151.11131	11.0
153.01811	6.9
156.35832	1.3
157.10179	2.3
159.08035	1.7
159.11690	19.9
161.05983	3.4
161.13211	15.9
163.03891	6.7
163.11154	7.5
163.14804	11.5
165.12717	7.2
171.11671	2.8
173.02324	2.0
173.13202	11.3
175.07536	2.5
175.14868	10.3
177.12770	2.8
177.16327	2.6
185.13242	2.2
187.07550	2.6
187.14798	19.8
189.16422	2.2
191.14288	17.1
193.15750	1.7
193.76758	1.3
195.13889	2.0
197.13263	1.7
201.16296	2.0
203.14212	2.1
205.15848	2.8
209.15353	29.1
215.07027	6.9
215.17902	1.7
223.16895	2.9
227.16316	17.2
227.18112	1.3
235.16881	2.3
240.68437	1.4
257.22757	1.6
259.09613	6.4
259.20401	1.4
267.21017	6.1
273.22299	2.0
275.23639	2.8
279.10184	1.6
285.22040	10.9
291.23083	6.9
303.23154	53.7
309.24146	1.5
321.11276	1.7
321.24234	31.2
327.25281	1.5
339.25223	14.2
340.25281	1.6
357.26337	7.6
448.15054	1.7
559.17047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	2.9
53.03938	5.2
55.01857	4.1
55.05504	25.6
57.03424	18.3
57.07061	5.1
59.04993	3.2
59.15073	2.6
61.02913	65.3
64.33577	2.5
67.05492	64.1
69.03423	22.4
69.03738	3.5
69.07047	16.5
71.04979	5.5
73.02895	21.3
79.05473	66.0
81.03397	6.4
81.07034	58.5
83.08587	4.3
85.02890	46.7
85.06519	3.6
91.03947	22.5
91.05457	97.1
93.07026	55.6
95.04946	4.5
95.08576	26.9
97.02863	28.5
101.02357	4.0
101.05994	3.2
103.03916	2.6
103.05434	3.2
105.07013	68.0
107.08588	23.5
109.06490	4.0
109.10143	11.9
115.05463	5.7
117.06993	75.2
119.08556	48.0
121.10133	11.9
128.06184	5.7
129.05464	3.0
129.06972	64.5
130.07768	5.6
131.08543	100.0
133.06544	2.7
133.10114	33.5
135.08038	3.8
135.11673	9.9
141.06952	17.0
142.07721	5.2
143.07520	3.8
143.08540	39.8
145.10083	38.8
147.08055	5.1
147.11652	12.1
153.06953	2.9
154.07854	2.7
155.08527	38.0
157.10127	47.1
159.08029	4.3
159.11658	25.7
161.09613	5.6
161.13231	6.3
165.06927	5.7
167.08545	12.7
169.10118	22.1
171.11649	47.0
173.09561	2.9
173.13205	18.8
174.25987	2.8
181.10097	28.5
183.11697	17.5
185.09541	5.9
185.13219	23.3
187.11151	17.2
187.14819	4.1
189.07098	2.6
189.12749	4.6
193.10062	3.9
195.11653	19.4
197.13280	19.0
199.11200	12.6
199.14783	24.6
201.12770	3.6
209.09830	3.1
209.13283	17.6
213.12793	5.6
223.14815	15.8
227.14359	4.3
239.17914	6.3
241.15736	3.5
241.19472	14.5
265.19437	32.4
283.20477	46.3
301.21622	5.0
306.74567	2.7
375.25211	61.1
396.61102	3.1
547.54047	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	537.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74531	1.7
53.03925	4.3
53.29920	1.8
54.84254	1.8
55.01852	10.4
55.05504	27.7
55.34581	1.9
56.96555	4.3
57.03434	16.9
57.07064	2.5
57.18804	1.7
61.02915	72.2
65.60159	2.1
67.05491	60.4
69.03420	20.4
69.07064	18.7
71.04964	4.3
73.02900	28.5
75.04451	3.6
79.05057	3.5
79.05479	70.6
81.03420	3.3
81.07040	55.4
83.04960	5.2
85.02888	48.3
85.06514	4.3
87.04477	4.0
91.03439	2.5
91.03942	25.8
91.05463	100.0
92.09355	4.4
93.07024	59.3
95.04947	10.3
95.08591	33.6
97.02860	40.3
97.06501	2.7
99.04409	4.5
101.02351	2.7
103.05493	2.6
105.07015	59.5
107.08578	26.5
109.02869	3.8
109.06498	4.4
109.10144	5.1
109.89204	2.3
115.03865	3.2
115.05434	10.8
116.06229	3.0
117.07003	69.7
119.08565	44.2
121.06508	3.0
121.10151	21.7
123.08047	2.1
123.11687	3.4
127.03860	9.7
128.06178	16.9
129.05498	3.1
129.06996	75.2
130.07733	4.6
131.08545	92.4
133.10115	32.2
135.08038	3.5
135.11676	5.4
141.06993	26.4
142.07732	11.0
143.08543	50.3
145.10110	50.4
147.08003	5.7
147.11641	13.7
149.09605	12.0
153.06993	5.2
155.08514	38.4
156.09317	3.0
157.10091	43.7
159.07994	2.8
159.11687	25.3
161.09586	15.7
161.13232	12.2
163.11134	2.7
165.06976	4.9
166.07790	4.0
167.08580	21.4
169.10088	32.5
170.10939	3.4
171.11639	43.7
173.09656	4.2
173.13206	23.4
175.11168	8.9
181.10092	30.8
183.11665	21.0
185.09576	5.9
185.13194	26.2
187.11137	5.5
187.14836	5.7
194.10965	3.2
195.11653	28.2
197.13229	13.4
199.11182	11.6
199.14757	30.6
201.12753	4.7
208.12506	3.1
209.13271	16.6
211.14699	4.3
213.12715	5.8
213.16327	9.4
223.14807	15.1
227.14218	9.2
237.16302	5.6
239.17857	9.8
241.15825	4.4
241.19458	15.5
255.17505	3.5
255.20802	2.8
265.19473	36.4
283.20499	50.8
301.21609	3.8
329.11475	2.4
338.79608	2.5
367.54324	2.7
375.25229	66.2
519.29279	4.1
537.30280	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	537.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88822	1.1
55.01861	2.1
55.05507	2.5
57.03412	1.0
67.05488	5.0
69.03432	10.9
69.07047	7.3
71.04961	1.3
79.05480	8.5
81.03382	1.7
81.07039	10.0
83.04977	2.1
83.08599	1.2
85.02886	3.9
91.05451	11.0
92.09360	2.0
93.07025	6.2
94.04153	2.7
95.04949	4.4
95.08610	9.1
97.02875	3.8
97.06513	16.9
99.04460	1.5
103.05457	2.1
105.03389	1.6
105.07005	12.9
107.04929	1.8
107.08577	4.5
109.02915	1.2
109.06474	2.1
109.10152	5.9
115.05421	2.5
117.07000	2.2
119.04986	1.3
119.08588	9.7
121.06474	1.4
121.10136	4.4
122.03632	9.8
128.06192	4.4
129.07005	4.9
131.04892	4.3
131.08568	1.9
132.05687	1.1
133.06476	2.1
133.10110	1.8
134.00250	1.2
135.04395	2.4
137.05965	100.0
145.02838	2.1
145.06483	1.5
145.10106	2.0
147.04440	1.9
147.08055	7.1
147.11717	1.7
149.02347	1.3
149.09622	1.4
151.03928	1.3
151.07513	7.6
159.04454	1.6
159.07971	2.1
160.05199	2.4
161.02324	4.4
161.05962	17.0
161.13278	1.3
163.03886	17.2
163.07634	1.2
165.07008	4.1
166.07709	2.4
172.05067	1.3
173.02243	8.8
174.32582	1.3
175.07518	20.6
177.05476	1.4
177.06961	1.6
177.88380	1.1
179.07010	1.2
179.08574	1.2
187.07501	6.1
189.06870	1.4
193.06503	2.2
193.08624	3.9
194.07297	9.6
195.08002	2.3
199.07556	1.3
205.06505	4.5
206.07289	1.9
209.09589	1.4
210.06819	1.7
211.07523	1.3
215.06989	9.4
218.07137	1.4
220.08688	1.2
221.05937	5.6
222.06744	7.5
223.07524	1.8
225.09039	2.3
231.08014	1.5
231.13599	1.2
233.05904	1.6
234.06708	4.4
235.07533	1.9
237.08995	7.7
239.06873	1.3
243.08066	1.2
247.07471	1.2
249.05450	1.5
249.08995	4.4
250.06171	1.5
251.06934	2.1
253.08574	2.1
253.12209	1.3
259.09604	16.5
265.08554	22.6
267.10028	1.6
271.07492	1.8
277.08447	2.1
281.08264	1.3
283.09689	2.5
285.11176	6.9
289.15067	1.8
289.17969	13.1
294.08768	1.1
297.11188	19.6
302.84366	1.1
309.11270	3.7
321.11337	2.1
321.23959	2.1
335.12933	1.9
341.14023	2.1
356.15570	1.1
399.15863	1.3
421.14749	1.7
427.15228	1.4
439.15472	1.6
459.17615	5.2
471.17758	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	537.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26028	0.2
52.61658	0.2
53.03934	0.5
54.60027	0.2
55.01864	0.5
55.36729	0.2
57.03427	1.6
57.29657	0.2
61.02903	1.2
68.99767	1.0
69.03417	3.1
71.01327	0.3
71.04971	0.5
73.02896	0.4
77.03921	0.3
77.29189	0.2
78.15207	0.2
79.05460	0.9
81.03400	2.3
81.07022	0.5
83.04948	0.4
85.02895	9.5
85.06534	0.3
87.00821	0.5
87.04472	0.2
91.03941	0.2
91.05468	1.0
93.07015	0.5
93.72912	0.2
95.04943	1.3
97.02876	3.7
97.06557	0.3
98.13911	0.2
99.04409	0.9
103.05463	0.4
104.04983	2.8
105.07014	1.2
107.04934	1.2
107.08578	0.3
109.02859	1.6
109.06493	0.8
111.04430	0.3
113.28771	0.2
115.05423	0.4
117.07008	0.3
119.04915	0.9
119.08532	0.9
121.02842	4.0
122.03630	0.3
123.04403	0.5
123.08045	1.4
127.03899	2.5
127.07610	0.3
128.06158	0.3
129.06966	1.1
131.04880	1.0
131.08531	0.4
133.10121	0.3
137.02226	0.2
137.05959	5.0
141.05495	0.3
143.04897	0.3
145.04980	1.8
145.10068	0.3
147.04398	0.8
147.07985	0.4
149.02278	0.4
151.03894	7.8
151.05032	0.5
152.07025	0.4
153.01805	2.3
157.06458	1.1
160.03862	1.6
160.05121	0.3
161.05951	0.5
163.03873	2.2
163.05992	0.5
165.01849	0.3
171.02899	0.8
175.07515	0.9
177.01822	0.5
178.04964	100.0
179.05283	0.4
180.05315	0.3
183.02843	0.4
187.07491	0.4
189.09007	0.4
191.03276	0.3
191.06978	0.4
195.02892	1.1
196.06026	31.4
199.07518	0.4
203.07021	1.4
215.06898	0.8
219.02879	0.3
235.13182	0.3
245.07977	1.9
253.14221	1.1
261.03885	0.4
271.15216	0.5
283.05859	0.4
289.07312	0.5
289.10651	2.1
299.05447	0.3
300.05878	0.4
311.05469	0.3
313.06860	1.0
329.06506	0.4
330.06885	0.4
331.07010	0.9
355.07635	0.3
357.13324	0.8
375.14722	0.3
432.09125	0.2
439.49469	0.2
521.48749	0.2
537.10748	0.3
544.59082	0.2
561.47186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01862	0.5
55.05505	0.3
57.03420	1.3
61.02896	1.4
67.05499	0.4
68.99767	0.6
69.03410	3.5
69.07041	0.2
71.01311	0.2
71.04971	0.3
73.02904	0.4
77.03900	0.4
79.05479	0.9
80.05013	0.2
81.03402	2.7
81.07030	1.0
83.82710	0.2
85.02891	10.2
85.06501	0.3
87.00829	0.3
91.03956	0.2
91.05470	1.1
93.07017	0.5
94.07321	0.2
95.04935	2.6
95.08598	0.4
97.02865	3.1
97.06510	0.3
99.04423	0.5
103.05401	0.4
104.04968	2.9
105.07002	1.1
107.04949	0.9
107.08574	0.3
109.02870	1.4
109.06493	0.9
109.10122	0.2
111.04410	0.4
113.05984	0.3
114.37138	0.3
115.05396	0.3
117.06906	0.2
119.04895	0.4
119.08549	0.4
121.02847	4.7
121.10066	0.3
123.04373	0.3
123.08021	1.1
125.05956	0.3
127.03892	1.9
128.06207	0.5
129.06972	1.4
131.04892	1.2
131.08589	0.4
133.10118	0.4
135.04382	0.4
137.02274	0.6
137.05008	0.3
137.05972	6.5
138.00450	0.2
141.05428	0.3
143.04933	0.4
143.08578	0.3
145.04945	1.7
145.10130	0.3
147.04398	0.5
147.08043	0.2
149.02281	0.3
151.03897	10.4
151.04993	0.7
151.07423	0.2
153.01793	1.5
157.06465	1.2
157.10101	0.4
160.03902	1.4
161.05986	0.4
161.09621	0.4
163.03862	1.9
165.01788	0.3
165.05417	0.4
167.03415	0.4
171.11649	0.3
175.07515	1.1
177.01790	0.3
178.04962	100.0
179.05389	0.5
181.08574	0.2
183.02966	0.5
187.07466	1.0
189.09102	0.4
191.03458	0.4
191.07028	0.3
191.40477	0.2
195.02843	1.5
196.06023	31.1
199.07547	0.3
203.06996	2.2
209.00552	0.2
215.07057	0.3
219.02939	0.5
233.07986	0.4
245.08029	1.5
253.14227	1.1
261.03766	0.4
265.08676	0.2
283.06046	0.4
289.07733	0.2
289.10718	2.2
299.05521	1.0
300.05945	1.2
301.06128	1.1
314.06741	0.3
321.11227	0.3
326.07199	0.2
327.07849	0.3
327.12006	0.3
329.06570	0.5
330.06845	1.1
331.07004	1.7
339.08484	0.3
339.12204	0.3
341.09323	0.3
355.07068	0.5
357.13388	0.8
375.14111	0.9
379.07678	0.3
397.08188	1.1
501.09100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.3
51.85830	0.3
53.03940	0.9
55.01859	0.8
57.03407	0.8
61.02906	0.4
63.03056	0.3
67.01862	6.3
67.05481	0.4
68.99768	3.3
69.03420	5.1
71.04964	0.6
73.02882	0.5
74.15262	0.3
79.05466	0.6
81.03392	4.5
81.07034	1.7
83.04950	0.4
83.08573	0.4
85.02898	6.2
87.00803	2.3
89.03896	0.6
91.05431	1.5
93.06995	1.2
95.04939	1.5
95.08572	0.8
97.02872	2.8
97.06497	0.7
99.04443	0.8
105.01823	0.6
105.06979	0.8
107.04939	0.6
107.08584	1.4
109.02860	2.4
109.06505	0.6
109.10138	0.6
111.00768	1.9
111.04432	2.0
117.01877	0.4
117.03374	2.2
119.04911	0.7
119.08591	0.6
121.10114	0.6
122.03704	0.4
123.04400	2.5
123.06783	0.4
123.08046	0.6
125.02363	0.4
127.03904	3.6
129.01807	1.6
131.04887	0.7
135.04407	9.2
137.02298	0.8
137.05963	7.0
139.03963	0.7
145.02840	6.1
145.04973	0.5
145.10162	0.6
147.04410	0.4
147.11681	0.4
151.03909	0.4
153.01819	100.0
159.02895	0.9
159.04395	0.5
159.49947	0.4
161.05917	0.7
163.03888	37.1
169.01295	1.7
171.02869	45.6
173.06049	0.5
175.07562	0.6
179.03369	6.0
187.03966	0.7
195.02998	0.4
205.04929	0.6
215.07040	0.8
219.13852	0.5
223.05765	0.5
241.75122	0.5
245.09459	0.4
247.05977	0.7
259.09668	0.8
271.05997	1.4
287.05582	3.5
288.05865	3.5
289.07034	77.9
290.07397	0.6
412.13675	0.4
448.15048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.4
53.03935	2.1
55.01863	2.7
55.05478	0.5
55.34460	0.4
57.03421	4.2
59.76716	0.4
60.52382	0.4
61.02910	2.8
65.03919	2.7
67.05485	0.8
68.99776	11.7
69.03411	5.6
69.07027	0.4
71.04961	0.5
73.02895	1.2
79.05461	0.9
80.04974	0.4
81.03396	7.2
81.07047	0.7
83.04946	0.7
83.14370	0.5
85.02895	21.0
87.00805	5.7
91.05447	1.0
92.08652	1.7
93.07027	0.9
95.04957	4.4
97.02856	4.1
99.04437	2.1
103.03932	1.1
103.05463	0.8
105.01850	0.9
105.03360	0.6
105.06971	0.5
107.04932	3.5
109.02866	6.5
109.06499	0.7
110.64872	0.5
111.00800	0.6
111.04427	3.2
117.06990	0.6
119.04932	3.7
119.08508	0.6
121.02847	100.0
123.04394	7.3
125.02332	1.0
127.03914	4.9
129.01826	2.6
129.07022	1.0
131.04874	1.1
135.04388	3.7
137.02313	0.5
137.05965	10.9
139.03894	1.9
142.07930	0.5
143.04907	0.6
145.02789	1.2
145.04953	1.1
147.04395	2.9
149.02342	5.4
151.03886	12.5
153.01802	11.4
153.05438	0.6
157.06421	0.6
159.02832	0.9
159.04352	0.5
161.05890	0.7
163.03871	26.4
165.01826	8.0
165.05455	2.5
167.03401	2.3
171.02925	3.3
175.03886	0.7
177.01801	12.1
177.05371	0.9
179.03412	0.8
181.04930	0.6
183.02831	6.0
187.03839	3.5
189.01901	0.7
189.03944	0.7
189.05476	2.8
191.03372	12.4
193.01355	0.6
193.04965	4.6
195.02867	34.9
203.03384	0.7
203.07129	1.0
205.04974	2.5
207.02824	1.9
209.04483	3.0
215.03360	3.8
215.06984	2.9
217.04834	3.3
219.02881	16.7
219.04979	0.6
231.06572	0.6
233.04416	2.0
235.05984	3.6
237.03841	1.7
243.02850	3.1
243.06541	1.9
249.03929	0.5
253.14552	0.5
259.05957	0.6
261.03900	19.0
267.06409	0.6
271.06015	1.8
279.04926	2.5
281.08313	0.7
283.05969	5.4
284.06821	0.6
289.07040	5.6
295.05957	5.8
299.05798	0.8
309.07602	2.2
313.07013	16.9
323.09085	1.1
330.07013	0.5
331.08176	4.5
337.06927	4.8
347.03751	0.8
355.07983	3.9
361.06851	0.6
365.05127	2.7
369.89615	0.6
379.08044	7.4
383.06030	3.6
397.09134	5.1
439.09952	0.5
483.09305	4.4
501.09991	3.6
519.11230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.5
53.03941	4.2
54.32357	0.4
55.01862	5.5
55.05499	1.9
57.03430	3.8
57.03663	0.4
57.61365	0.4
61.02908	0.8
67.01849	3.6
67.05489	3.1
68.99769	3.4
69.03415	18.4
69.07051	3.1
70.30998	0.4
71.01365	0.4
71.04968	2.8
73.02898	3.6
76.90161	0.4
79.05461	3.3
81.03400	16.2
81.07037	8.0
83.04967	0.7
85.02892	30.3
85.06581	0.4
87.00816	12.5
89.03893	0.9
91.03955	0.9
91.05461	2.4
92.09352	0.6
93.07024	6.1
95.04938	1.1
95.08588	6.7
97.02879	11.8
97.06500	3.2
97.10171	0.8
99.04430	6.0
103.05424	0.5
105.01852	6.5
105.07021	5.6
107.04895	0.6
107.08582	5.9
109.02869	12.8
109.06480	0.6
109.10133	4.3
111.00798	1.1
111.04456	0.6
111.08043	0.6
112.32642	0.4
115.03929	0.6
117.01846	2.0
117.03342	2.0
117.06997	2.1
119.08561	4.4
121.06493	1.2
121.10105	3.3
123.04404	2.3
123.08046	0.5
123.11665	1.0
125.09615	0.5
126.72195	0.4
127.03896	19.4
129.01837	1.7
131.04930	1.0
131.08545	2.3
133.10107	4.4
135.04396	5.9
135.11688	2.1
137.02319	1.0
137.05954	6.0
137.16942	0.5
139.03865	5.2
145.02827	5.4
145.04921	7.1
145.10072	1.1
147.02892	0.6
147.11636	2.7
149.13216	1.2
151.03951	0.9
153.01808	100.0
154.02223	0.5
157.02106	0.5
157.06535	0.6
159.02878	8.8
159.04242	0.9
159.11633	1.1
161.05974	0.7
161.13217	0.6
163.03871	30.5
163.07568	0.5
163.11227	0.6
165.40944	0.5
171.02867	15.9
172.64761	0.5
173.05913	0.6
175.14815	0.9
179.01987	0.6
179.03297	3.9
187.03830	0.9
187.07451	0.6
187.14740	1.0
189.05426	0.6
189.09097	0.7
191.03297	0.6
195.02841	4.2
209.15462	0.6
213.21132	0.5
215.07059	1.2
216.10194	5.3
217.10515	2.0
231.04956	2.6
247.05878	0.9
248.16472	0.6
259.09641	0.9
261.03949	0.6
270.14853	3.3
271.05786	0.8
271.15128	1.0
285.22134	0.9
288.15891	5.6
289.07034	49.6
289.16257	3.1
303.23151	4.1
321.24191	2.6
331.08011	2.5
355.07745	1.1
397.09073	0.8
451.21152	0.6
526.42029	0.6
537.21082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
53.32959	1.5
55.01866	4.3
55.05507	45.8
57.03407	3.4
57.07045	3.8
66.48727	1.9
67.05492	48.1
69.03436	2.6
69.07056	28.5
71.04977	2.3
71.08611	2.7
79.05478	40.3
81.03394	8.8
81.07038	46.5
81.07475	2.8
83.04957	4.6
83.08606	32.0
86.09690	3.2
88.07627	2.9
91.05449	35.1
92.08664	7.5
93.07032	43.6
95.04948	37.7
95.08590	41.1
97.06520	8.0
97.10157	11.4
99.08050	2.1
102.09151	3.1
103.05422	2.1
104.10777	2.2
105.07020	40.9
107.04929	16.8
107.08581	22.7
109.06514	7.5
109.10152	18.5
111.08044	2.8
117.06992	18.4
119.08557	36.5
121.06474	7.5
121.10113	22.3
123.08021	7.9
123.11743	2.7
125.00073	2.0
125.09609	7.8
129.06985	8.9
131.08548	18.2
133.06493	2.3
133.10120	26.9
135.08031	8.3
135.11665	12.0
137.09592	4.7
139.11154	2.6
141.51659	2.0
145.06508	3.8
145.10132	25.1
147.08083	2.4
147.11702	9.0
149.09605	36.0
149.13237	4.7
151.11177	2.0
155.08537	2.3
157.10144	3.0
159.11652	15.6
161.09488	2.3
161.13269	2.3
163.11127	32.5
169.10104	7.4
171.11639	3.0
173.09642	3.2
173.13188	3.2
175.11134	2.2
177.12724	3.3
183.11649	2.2
189.11211	2.7
191.10873	1.9
191.72263	2.0
223.13324	15.6
227.12799	2.4
239.17953	7.5
247.20709	2.7
247.24292	3.6
256.26187	4.6
257.19025	16.9
265.25125	7.2
275.20026	100.0
289.17761	3.7
293.21075	42.0
339.28839	9.9
361.09039	2.1
533.38861	1.8
536.36639	1.8
536.50525	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	537.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50129	0.4
53.03937	1.7
55.01868	3.1
55.05524	0.5
57.03428	5.0
59.30396	0.3
61.02908	3.2
65.03920	1.9
67.05484	0.7
68.99776	12.5
69.03413	6.0
71.01327	0.5
71.04976	0.6
73.02898	1.0
79.05476	1.9
81.03407	7.1
81.07037	1.0
83.04967	0.8
85.02895	22.8
85.06543	0.5
87.00819	6.5
87.04480	0.5
90.33618	0.4
91.05460	1.8
93.07055	1.5
95.04935	3.8
97.02872	5.0
99.04408	2.2
103.03938	1.9
103.05451	0.9
105.01842	2.2
105.03353	0.9
107.04964	3.6
109.02875	5.2
109.10176	0.5
111.00772	0.5
111.04438	4.1
117.03350	0.7
119.04935	3.4
119.08559	0.6
121.02850	100.0
123.04413	6.5
125.02339	1.9
127.03884	5.3
129.01845	3.0
129.06995	0.6
131.04944	1.9
135.04410	3.7
137.02319	1.6
137.05965	13.0
139.03894	2.0
141.05444	0.7
145.02821	1.9
145.04935	0.8
147.02797	0.4
147.04427	2.9
149.02330	4.7
149.05988	0.6
151.03888	11.8
151.05080	0.7
153.01810	12.8
157.06383	0.6
159.02863	1.9
161.05923	0.8
163.03874	27.1
165.01805	8.9
165.05469	2.6
167.03339	1.9
169.04956	0.6
171.02853	2.9
175.03862	0.7
177.01816	13.0
177.05418	2.6
179.03387	0.8
181.04971	0.7
183.02867	6.7
183.04314	0.7
187.03899	3.6
189.01820	1.0
189.05460	1.0
191.03366	14.2
193.05011	4.3
195.02866	41.0
203.03416	0.7
203.06985	1.0
205.04921	3.7
207.02853	1.0
209.04437	2.8
215.03444	4.3
215.07039	3.0
217.04970	2.9
219.02876	16.8
233.04419	2.2
235.05910	3.0
237.03886	0.8
243.02861	3.0
243.06525	2.4
259.06131	0.7
261.03928	18.0
267.06506	1.0
271.05920	1.6
276.87811	0.4
279.04987	2.0
281.89639	0.4
283.06000	5.6
289.07019	9.7
289.10132	0.9
295.05923	3.6
299.05334	0.6
300.05963	0.6
301.06277	0.6
309.07608	2.1
313.07007	17.5
321.06305	0.6
323.09079	2.9
331.07947	4.8
333.07608	0.5
337.07037	4.3
351.08469	0.6
355.07980	4.4
365.05023	2.8
370.70596	0.4
379.07986	6.9
383.06146	2.9
397.09140	5.5
439.10001	0.8
483.09079	3.9
501.10306	3.7
519.11212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05029	0.5
56.80661	0.2
56.96543	0.2
58.06597	0.3
60.07859	0.4
60.08154	9.4
67.05495	1.2
69.07053	0.3
71.07361	3.6
75.73827	0.2
76.62538	0.2
79.05481	0.5
80.12606	0.2
81.07036	1.0
85.02874	0.2
86.09693	44.5
91.05470	0.2
93.07030	0.5
95.08591	0.9
98.98447	4.0
104.10733	4.1
105.07040	0.3
107.08569	0.2
109.10133	0.2
124.99987	33.5
143.01021	0.3
184.07314	100.0
190.64610	0.2
500.30814	0.8
518.25348	0.3
518.32379	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	536.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.2
53.04190	5.3
53.36880	6.1
53.88788	5.6
54.82117	7.7
55.01867	11.2
55.05505	62.2
57.07043	7.1
67.05508	63.3
67.05795	8.1
69.07047	31.9
71.04956	8.0
74.27389	6.1
79.05473	58.9
81.03387	29.0
81.07046	64.4
83.08612	53.1
84.42049	7.0
91.05450	44.5
93.07044	79.1
95.04968	66.7
95.08579	64.8
97.06508	10.0
97.10177	12.4
105.07008	44.9
107.04923	43.5
107.08575	43.6
112.96378	6.6
117.06984	29.2
119.08562	34.6
121.06516	10.3
121.10112	32.5
122.50073	7.3
131.08565	30.7
133.10104	30.6
135.08020	10.6
135.11681	37.2
145.10074	52.4
145.69769	8.9
147.08069	9.1
148.25087	8.2
149.09601	38.3
163.11171	100.0
173.09593	12.1
223.13293	17.8
227.12735	98.5
257.18945	9.2
275.20026	88.2
293.21008	98.5
423.41089	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	535.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.9
59.69862	2.6
63.38919	2.8
63.66924	2.5
67.05493	2.8
67.41570	2.2
70.24673	2.9
83.07950	3.1
92.09394	5.9
195.10049	4.5
241.93423	3.2
279.85706	3.4
306.71570	3.1
418.86691	3.2
535.32129	5.5
535.39612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65895	0.8
53.03940	3.6
55.01853	4.0
55.05497	1.5
57.03426	1.9
59.51426	0.8
61.02903	1.5
67.05472	5.0
68.99774	1.2
69.03416	14.9
69.07043	2.1
71.04977	1.2
73.02881	2.1
79.05471	2.1
81.03396	11.9
81.07024	4.9
83.04945	0.8
85.02894	16.0
87.00806	6.1
91.03931	0.9
91.05466	3.8
93.07005	4.3
95.04951	1.8
95.08569	2.2
96.08090	3.7
97.02892	6.8
97.06493	2.1
99.04424	1.9
103.03899	1.0
105.01881	1.0
105.07008	3.9
107.08556	4.1
109.02867	9.2
109.10130	1.8
113.99984	1.0
117.06991	17.2
119.08571	13.3
120.08911	0.9
121.10120	1.8
123.08007	0.9
123.11609	1.1
124.07543	1.2
127.03918	8.4
129.01866	1.3
129.06984	1.4
131.08545	4.4
133.06519	1.1
133.10008	1.1
135.04477	0.9
137.02338	1.0
137.05974	4.0
137.09575	1.2
143.08540	4.0
145.04935	1.5
145.06467	3.3
145.10100	4.1
147.07959	1.8
153.01785	0.9
155.08531	7.5
157.08876	1.9
157.10062	3.3
159.02861	1.2
159.08093	1.1
163.03874	5.4
169.10085	1.0
172.11169	1.9
173.05937	11.1
182.15540	1.1
183.07935	1.5
183.11676	1.9
197.13275	4.2
199.14775	1.1
200.10707	6.0
207.11676	3.6
209.13362	1.2
211.07542	1.5
216.10155	83.4
222.39018	1.0
225.12732	3.7
227.14204	1.0
228.10156	5.1
235.16789	1.5
253.12115	4.7
259.09775	1.5
260.09970	1.7
270.14832	64.6
287.05478	5.8
288.05817	6.6
288.15884	100.0
330.16891	2.0
396.17700	1.4
450.21017	17.6
492.21915	2.1
518.20160	2.0
536.13336	1.4
536.21161	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	535.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.12841	0.5
55.01862	0.9
55.05499	4.5
57.03424	1.0
62.18734	0.5
64.33302	0.6
67.05495	7.2
69.03416	5.9
69.07054	6.8
71.04998	0.9
79.05481	8.3
79.30421	0.6
81.03391	10.2
81.07043	9.9
83.08580	1.3
85.02885	1.3
88.69828	0.6
89.03912	6.7
91.05470	4.9
93.07019	8.0
95.04949	2.8
95.08580	5.5
96.19054	0.6
97.02873	4.3
97.06515	14.8
97.10150	1.0
105.07033	5.4
106.01936	0.7
106.27370	0.6
107.01315	0.6
107.04937	3.8
107.08588	4.6
109.02861	4.3
109.06518	0.6
109.10142	3.8
111.04386	0.8
117.03363	11.5
117.07018	1.1
119.08556	3.9
121.10113	3.9
123.11694	0.7
125.09627	0.7
127.03895	3.2
131.08568	3.5
133.06502	0.9
133.10089	4.3
135.04393	28.3
135.11699	2.5
137.02333	68.7
137.03403	5.9
137.09587	0.8
141.06969	0.6
141.56186	0.6
142.79350	0.6
143.08644	0.9
145.02823	16.9
145.06485	0.8
145.10181	0.8
147.04266	0.6
147.07970	0.7
147.11597	1.3
149.09602	1.5
149.13295	1.1
155.03427	0.8
159.04404	1.3
161.02319	3.3
161.05904	0.9
161.13181	0.8
163.03874	100.0
163.11003	0.8
164.04225	0.7
173.02327	6.1
173.05983	0.8
175.11140	0.9
185.05930	0.8
187.03918	1.4
187.11360	0.7
199.03868	3.6
201.05508	0.8
207.02771	1.2
213.05431	3.4
215.06981	3.5
217.04857	1.0
225.05534	1.2
259.09665	9.3
267.13696	1.2
291.23093	1.0
301.21597	0.8
309.14850	0.7
319.22653	5.9
337.14221	5.6
337.23801	1.0
355.15326	5.8
373.16574	1.0
461.10782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	2.7
54.36449	0.1
55.01630	0.1
55.01867	2.8
57.03427	1.7
60.74826	0.1
61.02912	1.7
62.33031	0.1
68.99425	0.1
68.99770	1.8
69.03414	8.7
69.07067	0.1
71.01325	0.2
71.04976	1.1
73.02904	1.6
81.03398	10.3
83.01297	0.1
83.96424	0.1
85.02888	13.3
85.79073	0.1
87.00809	8.0
87.04466	0.2
91.03936	0.7
91.05421	0.1
92.09263	0.2
93.78797	0.1
94.52303	0.1
95.04920	0.2
95.66718	0.1
97.02263	0.2
97.02874	4.5
99.04434	3.1
105.01853	2.3
105.03363	0.6
107.04945	0.5
107.08592	0.1
108.80228	0.1
109.02863	7.2
109.12917	0.1
111.00792	0.9
111.04491	0.1
115.03893	0.2
117.01832	1.7
121.02846	3.9
127.03889	7.6
129.01831	1.1
129.06973	0.1
133.02812	0.8
135.04387	0.2
137.02312	1.2
137.05957	0.2
145.04932	2.1
145.06000	0.1
145.06551	0.1
147.02872	0.4
147.04398	1.0
153.01802	5.7
153.87935	0.1
157.06427	0.6
159.02855	3.4
159.11450	0.1
161.05972	0.2
163.03938	0.2
165.01804	2.5
169.06352	0.1
171.03000	0.1
171.04320	0.2
183.02858	1.3
185.05986	0.5
191.26062	0.1
203.07010	0.2
213.05481	1.7
215.06990	0.1
231.04930	0.7
231.06667	0.5
241.04886	0.8
258.05151	1.9
259.05942	0.6
269.04532	0.1
287.05438	100.0
288.05719	0.9
311.34268	0.1
329.06454	0.2
359.75854	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	535.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54837	0.3
55.01867	1.6
56.96962	0.3
57.03424	1.7
60.64326	0.3
62.74266	0.3
68.99780	2.7
70.06550	0.5
71.76554	0.5
75.16658	0.4
79.05531	0.4
81.03404	1.9
85.02417	0.6
85.02894	9.8
87.00800	1.7
91.05482	0.6
100.78834	0.4
101.02363	0.4
105.03365	0.4
108.89104	0.4
109.02855	2.4
112.79137	0.4
121.02834	2.5
127.03934	0.5
131.04855	0.7
135.04401	4.0
137.02342	8.9
137.05934	0.7
141.01817	2.6
147.04420	1.1
149.02321	2.2
153.01848	0.6
155.38985	0.4
161.02284	3.2
163.03883	2.5
165.01819	19.7
167.03401	3.9
177.01877	1.0
179.03476	1.5
183.02858	11.8
187.03882	1.8
189.01859	0.7
189.03941	0.4
191.03325	0.7
195.02919	2.3
203.03450	2.5
205.04944	2.0
233.04346	0.9
243.02797	0.8
245.04475	0.6
255.06485	1.0
261.03870	0.6
271.05997	1.6
272.06842	0.5
283.05951	7.3
286.04724	2.4
287.05472	5.2
295.06018	1.9
297.07587	4.1
299.05466	100.0
300.06189	10.2
301.07047	0.6
306.81293	0.4
309.07550	0.9
311.05444	9.8
311.09097	2.7
313.03622	0.4
321.07635	2.8
323.05524	2.7
324.06281	2.3
325.03360	1.3
325.06888	7.0
327.04895	2.4
329.06512	47.6
336.06378	0.6
337.06976	8.5
339.08585	19.0
349.07147	3.7
353.06461	5.2
365.06537	20.8
367.07956	2.6
377.06488	8.5
383.07568	19.7
395.07553	13.7
413.08624	6.8
499.08524	0.5
517.09827	5.7
535.10999	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	535.1081
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
53.03930	0.9
54.78006	0.4
55.01851	0.9
57.03407	2.0
61.02902	2.7
61.34336	0.4
65.03920	0.5
68.99771	4.4
69.03406	1.0
79.05491	0.5
81.03378	3.4
81.07023	0.5
84.08118	1.9
85.02885	10.1
87.00793	4.0
91.05449	1.9
92.08583	0.5
93.03362	0.8
95.04947	1.2
97.01080	0.5
97.02865	0.6
103.03912	2.2
105.03371	0.9
109.01600	0.4
109.02845	4.6
119.04913	0.9
121.02856	2.9
127.03922	0.6
129.01820	2.6
131.04901	1.0
133.02882	0.6
135.04398	7.6
137.02328	11.1
141.01785	3.6
143.21675	0.5
145.02800	0.5
147.04391	0.6
149.02299	4.7
152.51396	0.5
153.01805	0.9
159.04338	1.8
161.02319	6.6
163.03870	4.9
165.01799	20.2
167.03374	10.0
172.83095	0.5
173.02251	0.5
173.94841	0.6
177.01741	3.3
177.05443	2.3
179.03395	2.6
181.04913	2.3
183.02863	11.1
187.03818	4.8
189.01807	0.6
189.05383	0.7
191.03375	4.3
195.02769	6.3
197.00729	0.9
203.03400	0.9
205.04837	4.0
215.03369	3.1
227.06905	0.6
233.04391	2.2
243.02817	2.0
245.04387	2.5
255.06438	3.1
258.05237	0.8
261.03787	0.9
271.05988	2.5
272.06757	1.1
283.05954	19.1
285.03998	0.6
286.04675	7.3
287.05472	8.4
293.07901	0.6
295.05884	5.3
297.07513	14.5
299.05438	87.1
300.06168	18.7
301.06848	1.7
310.04559	1.0
311.05441	25.5
311.09042	7.3
313.03397	2.1
313.07028	6.6
321.07523	8.9
323.05447	6.4
324.06232	7.8
325.03537	2.3
325.06979	36.6
326.07413	0.6
327.04953	0.9
329.06488	100.0
330.06894	1.8
335.05545	0.8
337.06882	1.0
339.08563	33.5
341.06476	0.9
349.07007	13.7
350.07629	0.5
351.08521	0.5
353.06464	41.6
367.07922	5.8
377.06516	12.9
383.07526	0.8
387.15408	0.5
395.07510	49.2
396.07922	0.7
413.08667	4.5
431.09598	3.6
437.08414	0.7
455.09598	1.7
481.07504	2.4
499.08627	26.9
517.09674	13.4
535.10583	6.0
555.91132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29060	0.4
51.20388	0.4
53.00302	0.5
53.03942	2.6
55.01881	1.9
55.05507	23.1
57.03426	6.1
57.07069	11.9
61.02915	7.5
65.03928	1.2
67.05495	87.3
69.03420	3.5
69.07057	30.4
71.04966	2.6
71.08620	6.6
73.02908	1.2
77.08978	0.5
79.05479	26.8
79.82094	0.6
81.03394	2.9
81.07042	100.0
83.04964	2.7
83.08610	23.8
85.02895	8.0
85.06532	2.6
85.10167	2.7
87.04460	0.6
91.03931	2.8
91.05466	20.3
92.08659	0.8
93.07027	32.2
95.04947	4.0
95.08591	81.1
97.02892	4.1
97.05911	0.6
97.06499	5.1
97.10150	11.2
99.04438	0.8
99.08077	3.3
105.07017	14.7
107.08590	20.8
109.02895	0.9
109.06536	0.9
109.10143	39.3
111.08080	4.1
111.11723	2.4
113.09597	1.3
119.08569	14.7
121.10125	19.0
123.08070	1.0
123.11690	20.0
125.09648	1.2
125.13258	0.6
131.08557	2.3
133.10123	14.9
135.11678	9.2
137.09610	1.0
137.13242	6.2
138.48096	0.7
138.94221	0.6
139.11182	1.0
141.12753	2.5
142.30978	0.6
145.10112	1.2
147.07994	0.6
147.11659	9.7
149.13251	7.4
151.11217	1.0
151.14789	5.0
153.12767	0.8
155.14299	1.4
159.11591	1.0
161.13237	13.8
163.14807	10.0
165.16402	4.8
167.14374	0.7
175.14816	9.5
177.16336	0.9
179.17924	3.7
181.15822	0.7
189.16402	3.3
203.17903	0.7
217.19598	1.2
245.22604	34.8
245.25087	1.1
263.23651	48.6
281.24768	0.9
336.61880	0.7
337.27350	24.4
337.31445	0.9
355.28305	3.4
371.25790	2.5
389.26828	3.0
407.27936	3.4
425.28616	1.0
499.32440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
53.03934	0.7
55.01870	0.9
55.05505	24.4
57.03421	10.0
57.06812	0.9
57.07067	12.9
57.38014	0.7
58.33448	0.5
58.94938	0.6
61.02911	8.1
65.03915	0.7
67.05492	89.6
69.03423	1.3
69.07053	28.9
71.04977	1.1
71.08611	5.9
75.04465	0.9
79.05003	0.6
79.05472	23.0
81.07037	100.0
83.04993	1.1
83.08599	21.0
85.02879	5.6
85.06525	2.9
85.10184	1.4
86.09695	1.2
91.03941	1.1
91.05463	17.3
92.09346	2.0
93.07024	27.2
94.65403	0.6
95.08583	88.9
97.02878	3.5
97.06520	5.6
97.10151	12.4
99.08071	4.6
101.76450	0.7
104.10735	1.4
105.07011	12.8
107.08579	19.1
109.02800	0.8
109.06498	1.5
109.09383	1.4
109.10141	40.8
109.98404	0.6
111.08069	3.8
111.11697	2.9
113.09608	1.1
119.08544	13.6
121.10121	20.0
123.08113	0.8
123.11679	17.7
125.00017	0.8
125.09622	1.5
133.10112	16.7
135.11662	11.4
137.09569	0.9
137.13242	7.7
137.44734	0.7
139.11192	0.8
141.12701	1.3
147.11681	9.6
149.13245	7.9
151.14737	6.0
155.14256	1.3
161.13208	11.7
163.14787	8.4
165.16351	5.0
175.14774	9.5
177.16364	1.3
179.17911	3.4
181.15884	1.0
184.07343	2.8
189.16287	5.0
245.22583	41.9
263.23639	56.8
265.25098	1.1
281.24551	1.0
337.27304	44.2
355.28482	5.6
399.24039	0.8
462.50378	0.8
499.32477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
55.75709	0.2
60.08154	10.9
63.60640	0.2
67.05484	0.3
71.07357	3.9
71.08602	0.4
79.05457	0.6
81.07025	0.4
86.09695	52.3
88.39256	0.3
91.05467	0.3
92.09328	0.8
94.58513	0.2
98.98447	4.0
104.10735	4.6
124.99989	37.5
143.01067	0.5
184.07317	100.0
185.34299	0.3
516.30341	0.5
534.31891	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91812	0.2
55.05503	0.2
56.05034	0.3
57.93939	0.2
58.06586	0.3
60.08154	9.8
67.05483	0.3
69.07043	0.3
70.87034	0.2
71.07358	3.9
75.91685	0.2
79.05476	0.7
81.03427	0.2
81.07055	0.7
85.02859	0.2
86.09692	47.0
91.05482	0.4
92.09209	0.2
93.07009	0.9
95.08620	0.3
98.98452	3.2
104.10725	5.0
105.07009	0.7
119.08576	0.3
124.99984	34.2
131.35092	0.2
143.01068	0.9
184.07309	100.0
185.07663	0.2
247.46721	0.2
301.34940	0.2
474.49023	0.2
498.29510	0.3
503.54941	0.2
516.30743	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	534.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01692	0.5
53.03931	2.1
55.01860	2.8
55.05505	29.9
57.03437	0.9
58.99570	1.9
61.02923	0.5
61.46095	0.5
67.05498	1.3
69.03418	5.3
69.07042	0.9
71.04975	2.1
71.77168	0.5
73.02898	0.6
73.06517	0.6
74.00648	1.2
76.02203	3.2
79.05470	4.1
80.04992	2.1
81.03402	5.5
81.07042	4.9
83.04961	8.0
83.06072	0.5
83.08591	0.5
84.04492	4.1
85.02904	5.1
86.99031	0.9
87.00814	3.2
88.02186	0.5
91.05462	5.2
92.82270	0.5
93.07041	6.8
95.04964	9.3
95.08585	2.6
97.01102	4.2
97.02885	2.2
97.06506	5.1
97.10136	1.2
99.04401	0.9
105.01818	0.5
105.07024	6.8
107.04944	1.1
107.08586	12.0
107.10149	0.5
109.02869	2.5
109.06508	4.4
109.10143	0.7
111.08074	0.5
112.02143	0.8
113.00552	3.6
114.03694	4.2
116.01674	4.5
117.07007	2.0
119.08549	5.3
121.06500	1.1
121.10123	3.3
123.08066	2.4
125.05138	0.9
125.05972	14.6
125.09565	0.9
127.03882	2.9
128.06201	0.8
129.07008	0.6
130.05002	0.8
131.08546	4.6
133.10072	5.2
135.02527	0.6
135.08026	18.3
137.05949	3.1
137.09598	3.2
139.02104	0.6
140.01662	0.8
140.82587	0.6
143.08528	2.3
145.05019	0.7
145.10103	3.9
147.08044	0.5
147.11690	1.2
149.09604	42.5
151.07527	0.9
151.11194	2.3
153.01833	0.8
157.10077	0.7
159.02856	0.9
159.08076	1.0
159.11642	1.0
161.09584	9.4
161.13303	0.6
162.02190	0.8
163.03877	0.7
163.11198	1.2
173.13309	1.3
177.09105	1.2
178.09882	0.7
179.10640	39.9
182.10866	0.6
185.03804	0.7
187.05400	0.6
187.14793	2.6
191.10640	0.8
191.14243	1.1
195.08466	0.7
197.13313	0.5
215.14244	3.3
223.07916	0.8
233.15378	5.5
238.12595	0.8
241.08841	0.8
248.11003	0.8
251.16385	100.0
266.12027	6.8
284.13162	5.3
287.05402	5.0
294.11545	0.7
299.05481	2.6
300.06400	0.6
323.14304	1.0
329.06473	2.2
341.15268	1.2
353.06699	0.8
369.14743	1.1
387.15775	13.3
395.07852	0.8
455.67484	0.5
499.21713	2.0
534.21008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	1.5
55.05479	0.7
57.03426	1.6
61.02916	1.0
67.05457	1.1
69.03419	5.5
70.75253	0.8
71.04974	1.3
78.86413	0.7
79.05482	5.3
81.03390	7.2
81.07044	1.0
85.02896	7.9
87.00818	3.3
91.05470	7.0
92.09268	1.1
93.07027	0.9
94.04186	1.5
95.04936	1.8
95.08585	1.5
97.02894	4.2
99.04463	1.0
100.66456	0.8
103.05478	0.8
105.01826	1.4
105.07021	5.2
107.04955	6.4
107.08584	1.1
109.02869	3.9
109.06526	1.1
110.27491	0.8
111.04429	0.8
117.03359	4.3
117.06985	1.0
119.04917	7.4
119.08546	10.3
121.06490	4.7
121.10080	1.0
122.03646	5.3
127.03905	4.9
131.04916	1.0
131.08536	1.9
133.10150	1.6
135.04408	5.5
135.08026	1.1
137.05959	100.0
143.08600	1.3
145.02837	19.3
145.10129	1.3
147.04395	10.8
147.08018	3.9
149.05956	9.5
149.09601	1.7
150.06752	1.3
151.07558	1.1
153.07001	3.9
155.08592	1.3
159.02847	1.4
159.11703	1.6
161.05971	4.9
162.06757	1.6
163.03893	3.5
163.07520	0.9
165.06944	5.9
165.09138	4.2
167.07024	3.3
177.05437	30.1
179.07091	1.4
179.10634	1.2
181.06410	1.5
183.08017	5.2
189.12703	1.3
193.06442	1.8
194.07271	1.7
195.06544	4.3
211.07607	6.3
213.09163	1.1
215.06863	1.2
215.14291	5.4
221.05992	3.3
222.06631	0.9
225.09093	1.3
233.15366	4.5
237.08983	1.0
241.08595	1.2
251.09184	4.4
251.12891	1.0
251.16333	8.8
253.08589	1.2
265.08530	3.1
269.10199	9.7
271.09567	19.2
273.11093	1.1
282.08798	0.9
283.10251	0.8
285.11206	4.9
297.11127	6.4
307.61807	0.8
315.12363	7.0
470.48077	1.0
499.21832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	1.5
55.05479	0.7
57.03426	1.6
61.02916	1.0
67.05457	1.1
69.03419	5.5
70.75253	0.8
71.04974	1.3
78.86413	0.7
79.05482	5.3
81.03390	7.2
81.07044	1.0
85.02896	7.9
87.00818	3.3
91.05470	7.0
92.09268	1.1
93.07027	0.9
94.04186	1.5
95.04936	1.8
95.08585	1.5
97.02894	4.2
99.04463	1.0
100.66456	0.8
103.05478	0.8
105.01826	1.4
105.07021	5.2
107.04955	6.4
107.08584	1.1
109.02869	3.9
109.06526	1.1
110.27491	0.8
111.04429	0.8
117.03359	4.3
117.06985	1.0
119.04917	7.4
119.08546	10.3
121.06490	4.7
121.10080	1.0
122.03646	5.3
127.03905	4.9
131.04916	1.0
131.08536	1.9
133.10150	1.6
135.04408	5.5
135.08026	1.1
137.05959	100.0
143.08600	1.3
145.02837	19.3
145.10129	1.3
147.04395	10.8
147.08018	3.9
149.05956	9.5
149.09601	1.7
150.06752	1.3
151.07558	1.1
153.07001	3.9
155.08592	1.3
159.02847	1.4
159.11703	1.6
161.05971	4.9
162.06757	1.6
163.03893	3.5
163.07520	0.9
165.06944	5.9
165.09138	4.2
167.07024	3.3
177.05437	30.1
179.07091	1.4
179.10634	1.2
181.06410	1.5
183.08017	5.2
189.12703	1.3
193.06442	1.8
194.07271	1.7
195.06544	4.3
211.07607	6.3
213.09163	1.1
215.06863	1.2
215.14291	5.4
221.05992	3.3
222.06631	0.9
225.09093	1.3
233.15366	4.5
237.08983	1.0
241.08595	1.2
251.09184	4.4
251.12891	1.0
251.16333	8.8
253.08589	1.2
265.08530	3.1
269.10199	9.7
271.09567	19.2
273.11093	1.1
282.08798	0.9
283.10251	0.8
285.11206	4.9
297.11127	6.4
307.61807	0.8
315.12363	7.0
470.48077	1.0
499.21832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42954	0.5
55.01865	1.2
57.03428	1.4
61.02914	1.4
69.03416	4.7
81.03399	2.5
85.02415	1.1
85.02895	18.9
91.03880	0.7
91.05467	3.2
97.02863	3.6
99.04417	0.7
107.04934	3.5
109.02854	1.3
111.26543	0.7
119.04928	12.7
123.04404	6.7
127.03913	2.4
127.21398	0.6
131.04964	1.3
133.02835	4.4
133.06491	4.7
135.04390	1.3
137.05960	90.7
145.04985	0.7
145.06459	0.8
147.04395	100.0
149.05957	1.2
159.04367	1.0
161.02390	5.0
161.03568	0.6
161.05945	7.4
163.03894	3.8
165.05450	5.8
171.04356	0.7
173.05945	0.9
179.03375	1.2
179.07002	19.8
187.03850	3.7
189.05426	15.3
199.03886	6.0
205.04842	0.7
212.19305	0.7
217.04918	19.1
217.06856	1.1
263.05457	21.6
305.06244	0.8
323.07553	37.5
341.08505	1.3
347.52405	0.7
355.10123	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	533.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47928	4.4
55.01875	11.0
55.05511	43.6
57.35780	3.9
57.67061	4.9
58.93318	4.4
67.05509	41.5
69.07050	6.1
79.05491	64.7
81.03385	5.9
81.07043	100.0
83.04983	10.7
83.08601	10.7
91.05450	43.1
93.07035	58.0
95.04942	29.0
95.08590	26.7
97.10141	19.3
105.07011	33.9
107.04965	8.2
107.08606	23.2
109.06496	10.0
109.10106	6.6
117.06998	22.0
119.08566	32.6
121.06448	6.0
121.10157	11.9
123.07999	6.6
125.09634	8.8
129.06976	9.2
131.08530	9.1
131.38698	5.2
133.10103	8.5
145.10135	11.4
147.08031	12.5
147.11667	26.8
165.09180	6.3
171.11691	10.3
189.11230	8.5
191.10609	7.5
203.76140	5.3
207.13795	5.7
214.07935	5.0
224.97342	5.0
245.67885	5.9
260.45425	5.8
273.18387	20.7
279.20575	5.7
291.19577	90.5
496.19730	5.5
549.67645	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	533.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33643	1.6
57.07054	1.7
58.01929	1.5
67.05504	2.3
74.09695	7.2
85.59953	1.8
103.85241	1.6
109.69598	1.7
132.92851	1.8
133.92714	1.7
150.53333	1.8
195.09947	3.7
216.43315	1.8
360.52899	2.1
533.38055	100.0
547.26465	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	533.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41271	1.5
61.14757	1.5
61.97287	1.8
69.07048	1.9
74.09686	3.1
96.64198	1.6
99.65321	1.7
119.14228	1.6
146.41461	1.6
147.21919	1.7
180.72293	1.9
195.09854	2.4
272.84561	2.0
276.42892	1.8
380.16672	2.4
533.38080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
53.04153	0.7
55.01870	7.4
57.03429	12.7
61.02914	3.0
67.05489	0.7
68.99776	4.3
69.03419	19.6
70.06591	4.2
70.07954	0.8
71.04972	3.9
72.08132	0.8
73.02892	4.3
75.04466	6.2
81.03403	17.4
85.02891	42.9
87.00808	22.5
87.01299	1.5
89.03907	3.7
91.05466	6.1
92.01687	1.3
93.07005	1.0
95.04961	1.6
97.02865	18.9
99.04459	8.1
105.01847	11.4
105.07027	3.8
109.02863	15.0
111.04428	0.9
113.07119	3.7
115.03903	1.1
117.01837	1.6
117.03348	9.5
119.04924	6.0
119.08567	3.7
121.06535	1.1
123.04386	3.9
124.53982	0.8
125.06055	1.1
127.03890	24.1
127.04809	1.0
129.01799	4.0
130.05042	1.4
131.04883	0.9
131.08549	1.6
134.03503	1.0
135.04395	4.4
137.02280	5.7
137.06012	0.8
137.10701	1.0
145.02832	45.8
145.04883	7.2
147.04411	3.7
149.05969	5.1
153.01839	1.6
153.05486	1.7
159.02846	7.5
159.07597	7.6
161.05957	1.1
162.03107	5.5
163.03865	21.0
164.44279	0.9
164.45715	0.8
175.03906	1.3
176.10329	4.9
177.05432	100.0
180.04115	12.3
185.13069	0.9
187.07463	1.1
191.03333	1.5
193.05000	3.2
195.06494	27.1
197.48161	0.8
208.17934	0.9
214.70920	0.8
215.06914	1.3
219.06407	1.3
231.04866	1.8
233.15331	3.1
237.22374	1.0
251.09105	22.2
251.16286	1.1
269.10141	36.4
325.09119	1.0
534.10358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45294	0.8
60.08147	9.6
67.05488	1.3
69.38984	0.8
71.07339	3.5
78.35972	0.8
79.05492	1.0
81.07011	1.4
86.09689	44.6
91.05435	1.4
98.98441	5.0
101.66682	0.9
104.10715	4.5
105.06985	1.3
124.99977	35.9
131.08542	1.2
150.07878	1.1
184.07309	100.0
236.14812	1.0
237.15121	1.5
265.82254	1.0
445.70914	0.9
461.10748	0.9
532.30096	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	533.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.7
55.05496	42.9
57.03430	11.9
57.36775	4.6
62.98946	4.6
67.05476	35.1
69.03419	32.9
69.07061	42.1
71.04981	7.8
77.53426	4.0
79.05469	44.3
79.91235	4.6
81.03391	19.3
81.07043	78.5
83.04989	35.7
83.08622	7.9
85.02902	22.8
85.06543	5.2
85.64295	4.3
87.04468	5.8
91.05470	31.3
93.07034	81.4
95.04957	39.5
95.08584	94.3
97.02897	8.4
97.06512	80.5
97.10151	45.3
105.07022	77.5
107.04945	8.8
107.08578	99.8
109.06516	26.7
109.10167	55.6
111.04469	5.8
111.08069	10.7
117.07005	8.8
119.08547	60.2
121.06503	5.7
121.10112	39.9
123.08049	36.2
123.11676	19.5
124.35338	5.9
125.06010	7.2
125.09615	28.7
129.06982	8.9
131.08559	30.6
133.06519	5.7
133.10092	46.9
135.08002	19.5
135.11673	28.2
137.09613	11.2
141.09093	12.1
143.08540	11.3
145.10078	41.3
147.04399	10.0
147.08022	8.3
147.11652	40.7
149.09628	47.2
151.11208	20.1
153.09108	7.5
153.12735	26.2
157.10138	27.6
159.11664	31.6
161.09631	19.4
163.03902	9.5
163.11189	23.8
163.14810	9.1
165.09102	5.2
165.12674	10.7
169.10153	10.1
171.11705	8.6
173.09543	10.7
173.13280	12.0
175.11249	10.3
175.14778	10.8
179.10582	7.8
181.15768	4.7
185.13252	8.3
187.14720	7.2
189.12869	5.3
191.10576	7.9
191.14214	18.8
201.12703	12.0
209.15392	19.5
219.13806	19.4
221.15388	11.4
235.98276	5.0
237.14973	5.8
241.02269	5.0
241.08656	5.3
271.20303	8.6
281.19070	11.5
289.21609	11.1
299.20044	28.9
305.21323	5.0
317.21075	76.2
324.83746	5.2
325.84531	5.8
335.22089	100.0
353.23206	78.8
434.32184	5.3
439.65125	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	531.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04979	0.2
63.32217	0.2
68.99771	0.7
79.63004	0.3
81.03387	0.4
89.03905	0.5
91.60659	0.3
105.78608	0.3
111.76006	0.3
117.03361	1.5
123.04410	2.9
134.04926	0.4
135.04395	4.7
137.02390	0.5
145.02849	2.0
147.04372	3.7
153.01839	0.4
161.40730	0.3
163.03876	7.9
173.02299	0.4
175.03879	6.4
187.03897	3.4
189.06999	0.4
197.02214	0.4
199.03906	0.6
203.03342	5.0
209.05995	0.3
209.38109	0.3
211.07310	0.9
215.03360	4.7
216.04187	0.4
219.07993	0.4
227.03346	4.2
229.01295	1.6
235.07504	1.6
239.06952	1.8
243.02835	3.5
245.04379	1.7
247.02344	1.2
251.06862	0.7
255.06477	0.5
257.08014	0.6
263.07022	1.5
267.06497	0.4
271.02319	100.0
272.02521	0.5
279.06537	1.6
281.07996	2.5
283.05991	0.5
289.03299	7.4
303.06339	0.4
307.05823	1.2
309.07581	0.6
321.07825	0.3
331.06076	0.5
335.05435	1.5
349.06958	0.5
353.06540	0.6
365.06494	1.4
377.06476	3.5
395.07547	17.0
395.12759	0.7
407.07553	45.0
531.12738	3.2
531.25659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88313	0.4
56.27766	0.5
57.03433	0.6
63.21674	0.6
67.05499	2.7
69.07055	0.6
81.07043	2.2
87.04454	2.2
89.06010	0.6
91.05477	0.7
95.08587	2.1
97.10148	0.6
109.10161	2.3
195.09935	3.5
251.12541	2.3
281.98999	0.6
337.27225	0.9
345.88477	0.6
531.36493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51951	0.6
51.80093	0.6
55.05500	0.8
56.96560	0.7
57.03453	0.6
60.08160	9.9
61.99999	0.7
67.05502	0.9
71.07383	2.0
71.47839	0.7
73.82281	1.0
76.56461	0.8
78.51272	0.7
79.05478	1.0
81.07063	1.6
86.09697	47.8
91.05469	1.7
93.07039	1.6
97.06502	0.9
98.98436	1.8
104.10730	3.9
124.99987	32.8
142.81898	0.8
184.07318	100.0
191.07951	0.8
196.42336	0.8
204.47768	0.8
216.66219	0.8
224.22591	0.8
275.14279	0.7
346.46536	0.8
375.30301	0.9
532.30310	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	530.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	6.0
57.03424	20.3
57.07063	43.7
67.05487	100.0
71.08605	24.7
71.43555	4.0
81.07031	26.8
83.08620	5.4
85.10167	11.1
87.04456	29.1
95.08582	19.6
97.10133	6.0
104.70384	4.1
109.10152	73.8
116.71323	4.5
121.68855	4.5
166.49377	4.2
173.11737	6.3
210.11365	4.5
229.14322	28.1
285.11478	4.7
298.76816	5.0
341.30463	38.5
495.40326	60.6
502.22757	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	530.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82267	2.1
55.01871	2.4
55.05511	28.9
57.03428	18.3
57.06814	2.8
57.07072	53.0
59.04974	6.1
67.05502	16.0
69.07052	10.6
71.04977	7.4
71.08617	38.2
73.24078	1.8
79.05474	3.5
81.07042	14.8
82.46955	1.8
83.04982	19.2
83.08614	9.3
85.10189	13.2
87.04453	16.2
91.05476	15.3
92.08749	2.4
93.07034	4.0
95.04931	2.8
95.08619	16.6
95.09111	2.0
97.10143	3.6
101.06002	44.0
103.82442	1.7
105.07028	2.2
109.10138	9.0
111.04462	14.7
119.08574	10.9
121.06467	2.8
129.05460	27.2
129.07001	1.9
137.09619	8.3
147.06519	7.3
147.08055	3.4
165.09094	3.8
213.26401	2.0
256.26263	2.7
274.35776	1.9
297.36661	1.9
313.27328	100.0
361.99454	1.8
429.92703	1.9
462.59033	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	530.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24124	17.4
64.62602	16.1
67.05495	32.9
74.09707	100.0
81.07010	18.4
84.64333	21.2
87.04448	82.8
95.08566	21.4
117.73269	19.6
168.04517	17.7
173.92740	20.8
250.92888	19.3
256.26404	27.8
313.27454	28.1
519.30151	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.4
55.01863	0.6
55.05500	1.5
57.03172	0.5
57.03428	7.7
58.06589	28.1
59.07085	0.5
59.07368	11.7
60.07858	0.5
60.08148	10.2
63.55727	0.3
67.05495	3.4
69.03412	0.4
69.07044	0.4
73.02882	0.6
75.04461	3.9
79.05476	3.0
81.03407	0.4
81.07032	3.9
82.44827	0.3
83.04963	0.7
84.08117	0.8
85.02885	3.1
87.04452	5.6
89.56655	0.3
91.05437	2.2
93.05494	0.5
93.07015	3.2
95.04952	0.6
95.08591	1.4
97.06523	0.3
102.05515	0.6
103.03939	1.3
105.05487	0.8
105.07018	1.5
107.08555	1.4
113.06018	0.5
114.23769	0.3
117.07909	0.4
119.08586	0.4
121.10033	0.4
131.07007	2.3
133.10121	0.5
144.09053	0.5
144.10178	9.0
162.11189	5.6
187.60809	0.3
188.11034	0.3
197.52216	0.3
218.13708	0.4
236.14883	100.0
272.14786	0.7
274.72882	0.3
290.15768	0.4
301.88770	0.4
378.69385	0.5
412.26846	5.3
424.26770	3.8
430.28067	0.4
435.16559	0.3
442.21899	0.5
442.27899	6.8
476.33344	1.3
478.35272	2.8
494.34662	7.6
496.36237	16.0
512.28455	0.4
512.35748	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	530.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.0
55.40443	1.2
57.03413	9.1
58.06344	1.7
58.06595	31.3
59.07363	12.4
60.08147	8.7
67.05483	3.1
67.22700	1.3
69.07043	1.8
75.04456	2.9
79.05449	5.3
81.07034	6.1
85.02883	5.6
87.04456	3.4
91.05453	3.2
92.08675	3.1
93.06993	2.1
105.06937	1.5
107.08533	1.6
119.08588	1.7
125.51848	1.6
131.07030	1.9
144.10164	6.2
162.11230	5.1
191.42340	1.4
236.14890	100.0
274.61246	1.4
282.73761	1.5
350.06445	1.4
412.26575	3.0
430.28064	12.9
476.33624	1.9
494.34799	10.8
512.35822	22.9
530.36743	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05480	2.0
56.18549	0.3
57.03187	0.6
57.03430	9.8
58.06591	31.4
59.07371	13.4
60.08155	10.1
64.90364	0.3
67.05499	4.0
69.07026	0.8
70.32068	0.3
71.08580	0.3
73.02871	0.9
75.04464	5.4
79.05466	2.8
79.61821	0.3
81.07034	2.9
83.04941	0.4
83.08633	0.4
84.08088	0.8
85.02900	3.4
85.10139	0.3
87.04035	0.3
87.04460	6.9
91.05454	2.7
93.05487	0.6
93.06994	1.9
95.04970	0.5
95.08564	2.1
97.02847	0.4
97.06492	0.6
102.05532	0.6
103.03902	0.6
105.05479	1.4
105.07002	2.0
107.08547	1.3
113.05926	0.4
119.08537	0.7
131.06985	2.4
131.08466	0.4
133.64944	0.4
135.11630	0.4
144.10178	7.8
145.10072	0.4
147.11559	0.4
162.11203	5.5
171.15202	0.4
200.12724	0.4
216.69574	0.3
218.13887	0.6
236.14886	100.0
247.40733	0.3
276.29434	0.4
350.23889	0.4
364.47760	0.3
412.26859	2.8
416.26459	0.6
430.27887	13.0
476.33798	1.5
494.34714	8.8
512.35785	21.3
530.36761	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01858	0.9
55.05510	2.9
57.03429	10.6
57.07055	0.4
58.06591	30.3
59.07372	14.1
60.07866	0.4
60.08155	11.1
64.38321	0.4
67.05499	5.4
69.07048	2.4
73.02898	0.5
73.19310	0.4
75.04450	4.0
76.01255	0.4
79.05479	3.9
81.03391	2.8
81.07047	5.3
83.04958	1.6
83.08579	0.8
84.08121	0.7
85.02892	3.5
87.04450	6.6
89.89679	0.4
91.05458	4.3
92.05816	0.4
93.07048	3.8
95.04945	1.9
95.08577	2.9
97.06505	0.7
101.06017	0.4
101.52700	0.5
103.03921	0.5
105.05474	0.6
105.06994	3.0
107.04915	0.7
107.08585	1.6
109.10112	0.4
113.05980	0.5
119.08575	1.9
121.10146	0.6
129.07002	0.8
131.07027	2.4
131.08559	2.0
133.10097	1.9
135.11642	0.5
140.31561	0.4
144.10185	7.6
145.10078	0.6
149.02328	2.1
157.10077	0.4
162.11203	5.0
165.12698	0.5
193.12312	0.6
211.13295	0.6
218.13931	0.9
236.14893	100.0
237.15189	0.5
276.20300	0.4
285.17072	0.7
300.93958	0.4
349.23523	0.6
350.24030	2.6
412.27179	4.1
430.27902	19.7
476.33707	2.0
494.34781	10.2
512.35712	19.2
530.36835	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.0
55.05511	28.4
57.03431	34.4
58.06594	34.5
58.42213	2.0
59.07356	11.7
60.08144	11.2
62.32447	2.1
64.33613	2.6
67.05498	43.9
69.03417	3.9
69.07040	12.7
71.04971	5.2
75.04469	2.2
79.05476	36.7
81.03405	77.8
81.07038	45.0
83.04980	23.7
83.08616	30.4
85.02894	42.6
85.06530	5.4
87.04445	4.2
91.05468	49.1
91.96156	2.3
92.08654	4.9
93.07024	29.4
95.04951	28.7
95.08586	15.1
97.02867	3.6
97.06507	3.3
99.85950	2.6
105.07002	36.3
107.04910	9.2
107.08605	5.2
109.06479	3.7
111.08032	5.1
113.05956	3.8
119.08562	31.0
121.10129	12.1
123.08014	2.6
127.58759	2.5
129.07004	17.3
131.07024	3.4
131.08543	16.9
133.10097	17.3
142.07719	3.8
144.10187	9.4
145.10097	2.9
147.11652	14.4
149.09589	9.9
157.10127	10.3
166.53474	2.4
175.11191	17.5
193.12222	37.6
211.13264	51.1
223.12865	2.9
236.14891	100.0
267.15875	14.5
285.16913	50.4
430.27893	10.8
459.27374	4.8
494.34161	3.7
495.29541	25.7
506.42667	2.6
512.35956	27.0
530.36969	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82014	1.4
56.05024	10.1
67.05478	1.9
69.03410	2.5
70.40800	1.1
81.03381	1.7
84.04485	1.7
84.08128	10.4
85.02878	2.4
86.09695	1.9
89.03904	10.2
91.05450	14.8
94.04143	1.5
105.06985	1.7
106.04203	1.8
111.04405	4.9
117.03373	14.2
119.04928	15.2
121.06483	48.2
122.03654	8.5
122.45352	1.3
125.06031	1.5
127.03841	1.6
127.08663	18.2
131.04890	1.6
135.04387	5.4
137.05963	100.0
138.69685	1.5
147.04399	18.8
149.05965	52.6
149.07079	2.4
149.52747	1.4
151.07503	5.7
153.05434	3.0
160.05075	1.5
162.06902	1.5
163.03888	2.5
163.07446	1.6
165.06958	8.1
167.08510	3.0
169.13321	14.2
177.07004	1.8
179.06998	7.8
179.08459	2.1
181.06494	1.5
182.07300	5.6
183.08018	1.6
191.06964	1.9
193.06471	24.5
194.07231	10.8
195.08125	2.0
197.09641	6.2
204.12067	1.4
210.06779	9.1
211.07536	7.9
216.68756	1.5
221.05971	5.4
222.06709	7.6
225.09056	34.7
226.09915	3.4
227.07155	2.1
237.09000	3.2
242.09370	2.4
253.08508	11.6
256.01089	1.4
257.11679	29.1
265.08566	20.1
267.10110	1.8
285.11179	71.9
297.11224	16.5
314.62875	1.5
315.12253	22.0
329.51758	1.3
335.59268	1.5
466.21585	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	530.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
65.03896	0.9
67.09432	1.0
69.03407	1.7
72.08168	0.8
78.54642	0.9
79.05477	1.0
81.03384	1.0
83.17162	0.9
85.02898	5.1
89.03893	7.6
91.05451	13.2
93.03361	1.3
94.04153	1.6
95.05000	0.9
97.02897	1.5
98.97559	1.3
103.05457	4.2
105.06984	1.5
111.04419	4.8
116.98665	0.9
117.03365	11.1
119.04920	15.4
121.06482	39.7
122.03650	6.6
125.06007	1.6
127.03883	1.1
131.04915	4.3
134.03603	3.7
135.04366	1.6
137.02409	1.2
137.05952	100.0
139.03926	1.8
143.36354	1.1
145.06493	1.1
147.04399	23.7
149.05963	48.5
151.07529	4.7
153.05519	1.9
154.07700	0.9
161.05937	4.6
162.06691	1.0
163.03958	2.2
163.07521	5.9
165.06924	11.1
166.07736	2.3
167.08566	1.6
168.05695	1.1
174.78206	0.8
177.06889	1.1
179.06998	8.0
179.08479	2.3
182.07262	2.0
183.07977	1.7
193.06430	19.1
194.07294	8.3
195.08029	3.9
197.09618	6.5
205.06461	2.0
209.09543	1.8
210.06755	8.1
211.07495	5.0
221.05966	6.8
222.06708	6.1
224.08253	1.3
225.09042	28.2
226.09837	4.3
227.10619	1.4
237.09044	6.0
239.06941	4.0
242.09384	1.2
250.06221	1.4
253.08507	6.9
254.09464	1.3
255.06339	1.6
257.11673	19.9
259.15836	1.2
265.08597	16.8
267.10168	3.8
282.70007	1.1
285.11151	66.9
297.11121	15.9
315.12216	19.0
405.87292	1.4
530.17279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
63.06775	0.5
65.03920	4.0
69.03423	1.1
79.05470	1.0
81.03396	4.3
85.02890	6.1
91.05448	5.5
93.03388	4.5
94.04159	0.7
97.02861	2.6
102.04661	0.9
103.05447	6.8
107.04926	9.1
109.02859	5.9
111.04435	9.8
119.04915	13.5
121.02822	0.7
121.06478	1.2
122.03603	4.6
124.05189	7.7
127.03908	3.7
130.04065	5.0
131.04907	33.0
133.02847	4.7
133.06467	1.1
135.04387	14.0
137.02328	100.0
137.03386	7.1
137.05951	96.1
138.02628	0.8
147.04398	26.0
149.02333	2.9
149.05965	8.3
150.06735	11.4
151.03883	0.9
152.08322	1.0
152.40222	0.6
153.06972	2.9
155.03368	2.7
161.02324	3.3
161.05930	2.5
162.06717	24.4
163.03864	3.2
163.07506	11.5
165.01854	8.7
165.05450	1.4
169.06432	1.2
177.05482	2.6
178.06219	0.8
179.03381	15.2
179.06914	4.4
180.07787	3.3
181.06422	5.0
191.03380	2.7
197.05849	1.5
209.04361	2.5
209.06052	0.8
211.07510	1.6
213.09088	1.5
225.05403	1.6
237.05423	1.5
239.06880	0.9
241.08582	1.0
242.05862	0.9
253.04907	3.2
256.03653	0.9
257.07889	2.3
265.04929	2.5
270.05127	1.3
271.05969	10.0
283.05948	4.4
285.07535	39.8
288.06311	0.9
297.07489	7.7
303.08633	7.3
315.08569	29.5
333.09613	37.7
333.13611	1.4
477.93417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59600	0.5
53.82300	0.6
54.60395	0.6
57.03420	0.8
61.02907	0.6
65.03927	4.8
69.03405	3.3
73.02898	0.9
75.08852	0.6
79.05475	1.1
81.03419	5.1
85.02895	6.1
90.89617	0.7
91.04813	0.5
91.04916	0.5
91.05457	6.4
93.03371	3.0
95.04937	1.1
97.02882	2.9
102.04661	2.9
103.05450	7.4
105.07041	0.8
107.04948	9.7
109.02876	7.4
111.04432	8.7
119.04913	15.4
121.06481	5.0
122.03618	3.5
122.42490	0.7
123.04385	0.8
124.05228	5.3
127.03887	4.5
130.04146	4.8
131.04906	29.0
133.02826	6.6
135.04408	14.7
137.02327	83.4
137.03383	5.2
137.05959	100.0
139.03957	0.9
141.06902	0.8
146.79002	0.8
147.04399	23.4
148.96753	0.7
149.02327	1.0
149.05949	6.5
150.06760	17.3
151.03882	1.0
151.07523	1.5
153.06976	1.3
155.03351	3.5
161.02312	1.3
161.05978	5.9
162.06732	24.6
163.03847	3.1
163.07516	10.4
165.01852	7.2
165.06973	1.3
169.06419	0.8
177.05453	3.0
179.03380	14.4
179.07031	4.4
180.07788	3.9
181.06467	4.2
183.08054	0.8
187.63194	0.7
191.03387	1.7
197.05986	1.4
209.04355	2.7
209.06110	1.1
211.07512	1.4
213.09116	2.6
225.05492	1.2
227.07082	0.8
237.05296	0.8
241.08556	2.9
242.05730	1.6
253.04753	1.2
265.04892	1.4
270.05130	1.7
271.05957	8.5
272.06635	0.9
283.05933	4.3
285.07532	38.9
297.07434	7.1
303.08548	8.3
315.08569	30.6
315.12057	1.4
319.86896	0.8
333.09641	29.9
549.67419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
55.05507	15.8
57.03421	4.4
57.07066	1.8
58.06563	2.3
61.02921	2.8
61.54454	1.9
67.05492	35.9
67.14448	1.9
67.52611	2.0
69.03425	3.6
69.07062	20.3
71.04932	1.7
77.30562	1.9
79.05470	28.4
81.07050	38.2
83.04967	9.7
83.08595	3.6
85.02889	3.2
85.06526	3.3
91.05462	30.4
93.07034	38.2
95.04936	8.9
95.08569	18.9
97.06511	8.5
103.96300	1.8
105.07021	36.6
107.04967	13.4
107.08601	23.5
109.06523	17.2
109.10159	4.0
117.07001	13.4
119.08540	20.2
121.06496	18.8
121.10137	12.6
123.08073	3.5
123.11682	2.0
127.03902	2.2
129.06985	3.6
131.08539	25.7
133.06493	3.9
133.10100	23.0
135.08054	8.5
135.11641	7.4
136.40523	1.9
137.09601	2.3
143.08543	2.3
145.06441	2.2
145.10164	15.7
147.08054	3.4
147.11688	12.2
149.09596	8.0
149.13248	3.9
151.11139	3.1
153.37395	2.0
155.08614	2.8
157.10121	4.4
159.11612	10.9
161.09669	2.4
161.13240	2.2
163.11157	8.9
169.09985	2.3
171.11684	2.4
173.09665	2.9
173.13226	7.4
175.11081	4.3
190.28253	2.1
201.12778	2.7
207.13742	4.4
219.13806	2.6
236.14912	4.2
257.18973	10.4
275.20016	68.3
293.21149	8.1
349.23709	100.0
367.24722	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00755	0.5
53.03939	0.9
55.01859	3.9
55.05256	0.9
55.05502	11.1
57.03429	9.2
57.07063	1.5
58.06598	0.6
59.07365	0.5
61.02910	3.0
65.03928	0.9
67.05492	21.7
69.03405	2.2
69.07056	15.4
71.04962	1.1
73.02899	0.8
77.54126	0.5
79.05054	0.8
79.05477	16.6
81.03393	1.4
81.07040	28.4
82.53909	0.5
83.04959	7.4
83.08619	5.5
85.02888	3.8
85.06509	1.0
91.05465	16.8
93.07024	24.3
95.04953	8.3
95.08590	16.7
97.02847	1.4
97.06518	3.3
97.10123	1.3
98.57426	0.6
105.07017	23.0
107.04946	8.8
107.08579	15.4
109.06499	11.3
109.10137	7.3
111.08038	1.1
117.06988	7.9
119.08573	14.1
121.06487	11.7
121.10130	9.0
123.08064	5.8
123.11697	2.4
125.09583	0.7
129.06987	3.2
131.08539	16.2
131.09462	1.1
133.06473	3.0
133.10114	16.8
135.08008	4.7
135.11658	4.5
137.09595	1.4
141.06975	0.9
143.08571	1.4
145.06493	2.7
145.10097	10.0
147.08047	3.4
147.11678	12.2
149.09599	5.8
149.13239	2.8
151.11163	4.0
155.08559	1.1
157.10149	2.4
159.08023	1.1
159.11647	8.6
161.09528	4.1
161.13242	1.3
163.11156	6.4
163.14938	0.6
163.26903	0.6
165.12689	1.0
169.10141	0.8
171.11694	2.7
173.09589	2.5
173.13220	5.1
175.11116	3.2
177.12666	2.6
183.11679	2.5
187.11127	1.3
191.14287	2.7
197.13231	1.1
197.65532	0.6
201.12735	3.1
207.13754	3.2
215.14267	0.9
215.17986	0.6
219.13828	2.2
229.19429	1.3
233.18877	0.8
236.14876	2.4
239.17917	3.0
247.20514	3.5
257.19040	7.0
275.20016	48.7
293.21167	5.8
349.23676	100.0
357.82523	0.6
367.24698	3.7
528.34894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03603	3.1
53.03935	4.6
55.05503	17.8
57.03432	17.9
58.06588	29.7
59.07385	7.7
60.08158	8.7
61.02918	32.8
67.05492	33.0
68.98441	3.0
69.03410	8.2
69.07050	19.1
73.02911	6.8
73.83376	3.6
77.05211	4.5
79.05486	25.1
81.03403	6.4
81.07045	68.1
83.04958	6.3
85.02892	24.6
87.04518	5.0
91.03932	8.4
91.05457	26.1
93.07028	17.9
95.04980	4.8
95.08588	14.2
97.02892	16.8
97.06538	6.6
105.07012	25.9
105.58913	3.8
107.08598	21.7
109.06513	19.1
117.07021	8.0
119.08543	21.1
121.10134	7.5
123.08068	4.8
131.08572	5.5
133.10133	7.4
144.10214	6.3
147.11720	20.8
159.11627	5.4
163.11180	5.1
170.80901	5.1
236.14932	100.0
237.15208	15.6
240.80093	4.8
254.55420	4.5
275.20032	24.9
311.43924	4.4
349.23477	14.8
367.24695	29.8
493.27591	4.3
510.33804	5.4
511.34506	8.4
528.35162	28.5
529.35547	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	529.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51760	2.2
66.20303	2.3
76.04594	2.1
78.46635	2.3
84.80752	2.1
132.31750	3.0
137.02379	3.0
163.03880	5.5
200.67960	2.4
254.27493	2.6
357.55658	2.2
453.09921	22.5
497.12476	53.8
502.71750	2.6
529.15192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81532	0.7
74.02401	0.8
74.35997	0.6
91.05494	1.1
92.09276	0.7
117.07047	2.1
118.05730	0.8
118.06528	23.1
119.04897	0.7
130.06512	2.5
132.08060	6.1
142.06496	1.3
143.07248	2.6
144.08078	19.0
146.05998	91.3
147.04391	1.5
159.09148	9.0
160.07552	1.2
170.06013	6.0
188.07042	100.0
205.09703	29.1
453.09933	1.0
497.12363	1.3
510.66440	0.8
529.15106	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01865	10.3
55.05508	13.1
56.10405	0.9
56.96547	2.3
57.03424	8.5
58.06590	2.4
59.29721	1.0
61.02902	4.3
63.21384	0.9
63.99219	0.9
67.05492	28.8
69.03417	1.4
69.06712	1.5
69.07058	30.4
71.05000	1.6
71.16259	1.0
73.02877	1.3
79.05473	27.0
81.03393	13.1
81.07040	37.2
82.30724	1.1
83.01808	1.1
83.04963	6.2
83.08608	4.2
85.02886	5.2
91.05464	30.7
93.07027	28.1
95.01318	10.1
95.04949	8.9
95.08581	25.9
97.02848	4.5
97.06519	9.7
97.10155	1.4
99.08023	1.2
101.02319	1.3
103.05429	2.1
105.06366	2.3
105.07021	48.1
107.04948	20.0
107.08577	10.7
109.06505	2.1
109.10145	7.0
117.06987	13.1
119.08559	23.8
121.06473	4.7
121.10119	5.0
123.04421	2.2
123.08047	4.7
129.06995	2.1
131.08549	12.2
132.93037	1.2
133.10110	24.6
135.08051	1.8
135.11678	6.5
141.07011	1.2
143.08511	1.4
145.06480	4.6
145.10069	9.8
147.11690	7.5
149.09584	5.8
149.13245	2.0
159.07991	1.8
159.11702	8.9
161.13208	2.0
163.11166	1.6
177.12804	2.0
179.14276	7.9
187.11162	3.8
236.14903	7.1
257.18982	2.2
269.10425	1.6
275.20010	27.1
346.04248	1.2
349.16751	4.6
349.23666	100.0
364.84250	1.3
367.17642	4.4
511.28833	2.4
528.34204	1.1
529.35675	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	528.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38559	4.1
54.29962	3.6
55.05501	28.9
57.03411	19.6
57.07067	19.2
63.77533	4.2
67.05490	100.0
69.07056	33.1
73.44508	4.5
79.05466	8.7
81.07045	38.3
83.08607	26.9
85.42997	3.8
89.06021	7.0
90.03314	4.7
91.05441	7.0
93.07068	17.0
95.08579	23.2
97.10249	5.3
105.01212	4.6
107.08618	5.8
109.10156	88.5
121.10126	9.6
173.11717	18.4
178.18381	4.7
229.14357	57.4
339.28864	44.2
493.38800	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	528.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01868	5.1
55.05498	28.9
57.03430	41.5
57.07071	63.9
61.97670	2.9
67.05491	55.4
69.07056	27.7
71.04972	5.2
71.08621	33.2
71.25211	3.6
79.05469	40.9
81.03391	3.0
81.07047	41.3
83.04955	16.7
83.08590	8.1
85.10149	15.1
89.06010	5.4
91.05449	17.3
93.07033	63.8
95.04955	4.2
95.08584	36.6
97.06518	13.9
97.10146	19.7
98.97175	3.2
107.08582	40.6
109.10133	17.4
117.07014	6.6
135.08055	4.6
135.11674	62.1
145.10129	5.5
160.53809	3.5
163.11032	5.8
181.12196	15.6
223.64293	4.0
224.61163	3.7
255.15891	100.0
283.26413	5.3
306.70535	3.7
313.27316	68.1
322.18915	4.1
493.38861	85.4
515.96252	4.0
543.82080	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	529.149
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
54.12044	1.4
55.01851	2.1
55.05495	3.2
55.93865	1.4
57.03412	1.7
58.06584	10.1
59.07359	3.1
59.59528	1.2
60.03445	1.4
60.08139	2.5
63.72340	1.4
67.05486	3.7
67.15573	1.8
73.55676	1.4
74.91215	1.6
79.05453	2.0
81.07030	3.9
91.05457	7.0
93.07010	6.6
95.04942	2.1
97.06556	1.7
97.31923	2.0
105.06991	6.9
107.08555	2.6
119.08549	2.9
121.10087	1.7
131.08595	1.8
137.05940	2.4
141.56039	1.9
147.04410	8.6
175.03880	6.2
203.03398	2.5
215.03340	3.6
236.14861	26.2
237.15256	8.1
243.02722	6.0
271.02304	100.0
275.20050	2.0
289.03445	10.0
301.16306	1.7
310.37595	1.8
349.23514	2.2
368.64529	1.7
372.14807	2.0
391.07996	38.1
409.09058	7.7
492.33322	2.1
500.41196	2.7
510.34140	2.3
528.34998	1.9
529.34344	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	528.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.6
57.06808	2.4
57.07068	38.8
59.04959	1.6
69.07063	1.8
71.08618	31.0
73.06538	8.1
75.35529	1.2
78.93807	1.4
79.05486	1.9
81.07056	2.4
83.08605	6.5
85.10176	26.8
87.04446	5.5
89.06013	100.0
89.38011	1.4
92.08675	5.0
93.07059	1.3
99.42528	1.2
105.07009	2.2
107.07082	2.3
115.26678	1.4
117.09169	1.5
124.20801	1.5
133.08589	28.8
141.16379	2.9
177.11201	14.7
179.71640	1.3
185.19005	3.2
229.21609	11.3
239.15065	1.7
273.24231	9.6
280.27145	1.6
283.17297	2.0
287.58820	1.6
305.79117	1.4
327.20197	1.7
371.22717	7.9
511.38309	24.5
528.40704	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	528.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55988	0.5
52.62928	0.6
52.90014	0.6
55.01862	0.7
55.05509	26.0
55.07806	0.5
57.03428	15.4
57.07073	10.5
59.04983	4.5
67.05496	100.0
69.06714	1.4
69.07059	30.0
70.69009	0.6
71.04980	4.1
71.08615	4.1
79.05486	8.2
81.07043	28.3
83.08605	24.2
85.06532	3.4
85.10174	1.3
89.60123	0.6
91.05461	4.8
93.07037	13.0
95.04960	0.9
95.08586	21.8
97.06483	1.4
97.10154	10.0
107.08591	8.5
109.10149	73.7
111.08058	3.3
111.11742	1.2
119.08560	3.4
121.10138	8.2
123.11701	1.2
135.11691	6.7
137.09550	1.5
149.09549	1.1
149.13213	1.5
155.10652	1.0
173.11688	12.5
229.12061	1.3
229.14323	37.3
265.25101	1.1
270.35864	0.7
327.28848	0.8
339.24796	1.5
339.28891	36.4
493.38806	67.3
541.01654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43842	0.7
55.05502	4.0
55.25732	0.7
57.03427	9.8
58.06590	40.6
59.07362	11.5
60.08156	9.1
67.05489	2.1
69.07059	2.0
75.04460	4.3
79.05460	4.1
81.07034	2.0
83.04961	1.6
85.02882	3.4
87.04430	6.9
88.82423	0.9
91.05459	3.7
91.81712	0.9
93.07010	3.8
95.04964	2.0
95.08620	1.2
97.06464	1.4
105.07050	3.1
107.08575	3.9
107.76996	0.9
111.04387	1.2
119.08598	1.7
121.06429	0.9
131.06984	1.4
131.08585	1.1
144.10185	7.0
146.12071	0.9
162.11229	3.7
163.03911	1.6
236.14879	100.0
331.15250	1.2
430.28195	3.1
492.32928	2.2
510.34244	19.4
527.52240	1.0
528.27454	1.5
528.35266	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	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.03429	7.7
57.21848	1.0
58.06596	32.0
58.33760	1.0
59.07375	11.6
59.75660	1.0
60.08152	9.1
66.03519	1.1
67.05486	5.1
67.69427	1.0
69.03416	1.4
69.07064	2.4
73.19622	1.2
75.04472	5.8
79.05489	5.2
80.71914	1.1
81.03410	1.6
81.07043	6.2
82.61510	1.2
83.04931	1.3
85.02908	3.0
87.04482	2.2
91.05445	4.5
93.07020	5.4
97.02858	1.6
105.07049	2.3
121.10139	1.9
138.36024	1.3
144.10194	5.4
145.10144	1.6
162.11311	2.4
180.47441	1.4
198.42400	1.6
234.08920	1.5
236.14896	100.0
290.15784	1.5
412.26804	2.0
430.27896	18.0
492.32880	8.2
510.34229	18.7
528.35449	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	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05502	1.4
57.03427	10.2
58.06302	1.3
58.06590	33.9
59.07372	14.4
60.08150	10.6
63.34930	0.5
64.33978	0.7
65.94263	0.6
67.05489	5.7
69.07038	2.0
73.02901	1.3
75.04461	7.1
79.05470	5.1
81.03406	0.9
81.07046	4.6
83.04967	0.9
83.08578	0.7
84.08135	0.8
85.02889	3.5
87.04449	6.0
91.05463	3.6
91.76548	0.5
93.07011	3.0
95.04942	0.6
95.08592	2.3
105.07047	2.0
107.08612	1.2
109.10096	0.5
117.07001	1.0
119.08559	1.0
121.10148	0.6
129.06981	0.7
131.07010	2.2
131.08546	0.8
133.10143	0.7
144.10197	7.3
147.04434	0.6
147.11621	0.6
149.09583	0.7
154.85767	0.6
162.11256	5.1
163.03880	0.8
236.14882	100.0
271.02335	0.7
412.26910	3.2
416.26294	0.7
430.27921	13.3
474.32184	2.4
492.33130	10.7
510.34238	21.7
528.27521	1.1
528.35260	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	528.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10873	0.9
55.01879	1.0
55.05511	1.6
55.27150	0.9
57.03427	10.2
58.06596	32.3
59.07369	13.8
60.08152	10.3
61.02908	1.4
67.05492	4.0
69.07050	1.7
73.02903	1.6
75.04459	5.0
79.05490	5.5
81.07066	8.6
85.02915	2.4
87.04465	5.2
89.78819	1.0
91.05471	2.5
92.09372	2.0
93.06989	4.5
95.08557	2.0
97.06546	1.6
105.05496	1.2
105.07005	2.3
107.08585	1.7
119.08595	1.6
122.10443	1.4
128.09657	1.1
133.57326	1.2
144.10201	7.1
147.11658	1.5
153.91235	1.1
162.11264	4.9
236.14894	100.0
275.20071	1.5
375.08405	1.1
510.34351	14.7
514.74066	1.4
528.35254	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	528.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01859	2.5
56.10752	1.1
56.82927	0.9
57.03426	1.2
58.26939	1.2
61.02906	1.3
61.36998	0.9
69.03425	11.3
79.05478	1.6
81.03399	5.3
85.02892	19.4
91.05481	8.3
93.06999	4.7
95.04947	2.6
97.02860	7.3
99.04447	1.8
103.05444	10.0
105.07003	9.8
107.04948	100.0
109.02857	2.1
119.04913	8.6
121.02854	2.6
121.06498	23.8
127.03873	7.8
129.06958	2.7
131.04918	10.1
133.06470	16.1
135.04376	12.2
135.08044	7.0
137.05963	43.4
145.04948	1.7
145.06462	2.6
147.08005	1.7
149.05966	23.4
151.03854	2.0
151.07480	8.7
151.44870	1.1
153.06909	1.5
154.22041	1.0
157.06473	2.0
159.08113	1.3
161.05942	18.5
161.09612	4.8
163.03816	1.2
163.07509	29.2
165.09103	1.7
168.06459	1.3
171.07932	1.1
173.05992	2.3
175.07509	2.4
177.09128	1.8
179.08531	1.3
181.06480	1.4
181.08553	8.6
189.09062	11.7
195.07996	4.8
197.09625	5.6
199.07422	1.9
201.09079	1.8
205.06453	1.2
207.10173	10.1
210.06670	1.5
223.07509	2.5
223.11067	2.1
225.09068	2.8
255.06364	1.4
255.10088	13.4
257.11639	5.5
267.10205	2.0
273.11258	1.7
277.34790	1.4
279.06586	1.3
283.13150	9.0
291.12296	8.1
301.14417	12.6
309.13193	1.6
313.14276	2.4
339.96161	1.4
354.66180	1.4
354.99069	1.3
419.38892	1.2
529.10260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.35131	1.0
57.03421	1.6
66.37074	1.1
69.03416	10.6
70.06586	1.2
71.04952	1.4
73.02860	1.5
74.09691	5.9
79.05478	2.0
81.03379	7.6
85.02892	19.8
91.05447	5.7
92.09321	1.4
93.07009	3.2
95.04971	1.8
97.02881	6.7
99.04448	2.1
103.05458	9.8
105.07003	8.7
107.04938	100.0
109.02875	2.7
119.04929	6.2
121.06469	23.9
123.04379	1.7
127.03875	13.4
131.04916	8.5
133.06480	16.2
135.04382	13.2
135.08057	6.3
137.05957	17.4
143.80305	1.3
144.96855	1.3
145.04930	1.6
145.06483	2.5
147.04314	2.0
149.05943	24.7
151.07549	8.9
152.68629	1.2
157.06480	1.9
159.08040	1.8
161.05956	14.9
161.09619	2.4
163.03925	1.6
163.07529	27.5
165.09053	2.3
171.01999	1.3
173.06012	1.8
175.07611	2.5
177.06952	2.0
177.09084	5.3
179.08438	1.5
181.08519	1.6
181.32149	1.3
187.07591	1.6
189.09055	9.7
193.08475	1.6
195.06523	4.4
195.08086	5.5
197.09637	2.5
201.09097	1.9
203.06918	1.7
207.10179	10.1
223.07533	2.3
223.16330	1.6
225.09077	2.5
225.11198	1.6
255.06259	1.7
255.10074	13.1
257.11679	8.4
267.09955	1.7
273.11249	5.3
283.13370	9.7
291.12155	6.4
301.14328	19.5
313.14334	6.9
370.43631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90681	0.1
61.02894	0.1
61.12503	0.1
63.00412	0.1
65.03926	0.2
67.05475	0.1
69.03395	0.8
79.05465	0.3
81.03406	0.5
81.06997	0.2
85.02885	1.2
91.05470	0.7
91.84466	0.1
91.95856	0.1
94.04165	0.8
96.71872	0.1
97.02853	0.3
99.04397	0.2
103.05449	0.5
105.06947	0.1
105.82437	0.1
107.04944	0.2
109.02882	0.2
119.04922	0.6
121.06470	0.2
122.03636	2.8
123.04409	2.6
127.03872	0.3
131.04942	0.6
133.06485	0.5
137.05954	100.0
138.06285	0.9
141.05475	0.3
145.04958	0.2
147.04295	0.1
149.05975	0.6
151.03885	10.1
151.04945	0.6
151.07506	0.2
163.07527	1.5
171.08018	0.2
173.01750	0.3
181.08549	5.5
197.04239	0.2
255.47479	0.1
281.11496	0.2
313.14276	0.6
331.11685	1.1
492.29300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01867	1.3
57.03427	0.9
61.02901	2.2
65.03938	1.1
67.01858	2.8
68.99784	1.2
69.03416	6.2
77.03907	0.7
79.01855	0.6
79.05483	0.9
81.03406	2.4
83.04974	1.1
85.02895	14.4
89.03876	0.7
93.03382	3.1
95.04950	5.5
97.02885	4.6
99.04430	2.3
105.03385	4.4
105.82970	0.5
107.01307	0.9
107.04925	2.5
109.02872	1.3
109.06459	0.9
111.04432	42.8
117.03342	1.2
117.69904	0.6
118.04095	0.5
121.02850	4.1
121.06492	1.3
122.00000	0.5
122.03625	2.6
122.05980	0.7
123.04404	6.6
125.02366	2.4
125.05953	4.9
127.02950	1.2
127.03896	33.6
130.01115	0.6
133.01894	1.0
133.02838	19.8
134.03639	3.6
135.04399	9.2
137.02342	4.8
137.05962	85.8
139.03889	68.4
139.05035	0.7
140.04665	4.5
141.05464	2.3
145.02792	0.9
148.05182	0.7
149.02312	12.1
149.05998	4.5
150.03111	3.0
150.06781	4.1
151.03879	2.1
153.05470	4.5
153.06577	0.5
155.03383	32.4
157.04877	1.1
161.02325	0.6
163.03885	15.8
164.04659	5.4
165.01814	0.9
165.05458	3.4
166.02586	25.1
167.03378	29.0
169.06468	2.1
176.87854	0.6
177.01819	15.6
177.05443	5.9
179.03346	2.3
180.04160	7.0
181.04939	16.0
183.04382	2.4
184.05193	1.1
187.07584	2.1
193.04958	1.1
194.05739	2.2
197.04391	0.8
197.05968	2.6
198.06731	1.1
199.03874	0.7
199.07465	2.0
200.04729	0.8
201.05574	0.7
207.02917	2.8
208.15347	0.6
209.04416	9.5
211.03928	1.9
212.04584	0.9
213.05325	0.8
214.06252	2.6
215.07019	3.1
222.03098	0.9
224.58365	0.6
225.03831	12.4
226.06190	11.0
227.07080	4.6
228.04207	2.1
229.04962	2.8
229.08571	2.5
237.05447	5.1
239.03366	0.8
241.04971	0.8
241.08543	15.6
242.05730	3.1
243.06470	20.4
253.04916	6.9
254.05728	0.8
255.06392	2.2
257.04431	3.3
257.08020	6.9
269.08054	16.7
270.05240	2.5
271.05945	36.2
272.06732	13.1
273.07492	0.9
275.09082	5.8
281.04382	2.9
285.07642	8.3
286.08273	1.0
287.09088	2.8
288.06299	0.9
299.05490	1.0
303.08606	20.3
313.06992	5.9
317.06509	2.1
331.08072	52.4
345.93970	0.6
349.09131	100.0
350.09607	0.8
365.37030	0.7
466.56009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92472	1.1
53.03939	1.8
55.01860	1.8
57.03426	2.1
59.30599	1.2
61.02912	4.9
65.03937	0.9
69.03410	13.3
71.04951	1.4
73.02906	1.4
75.52477	0.9
81.03399	11.3
82.99125	0.9
85.02888	36.4
85.03372	2.1
85.56253	1.0
95.04894	2.2
97.02868	26.8
98.97575	1.1
99.04414	2.4
103.03949	1.6
109.02844	9.4
110.74290	1.1
111.04409	10.2
123.04410	10.7
125.05966	5.3
127.03903	22.0
127.57093	1.1
133.02866	5.8
137.05962	10.0
139.03879	5.0
145.04955	5.5
149.02350	2.3
151.03847	10.4
153.05441	1.6
157.04932	2.4
160.95613	1.2
163.03900	2.1
167.03366	21.3
167.30510	1.2
169.05026	1.3
169.06517	2.2
171.02023	2.6
171.08034	1.4
177.01761	2.7
179.03378	14.9
181.04927	7.1
181.06468	1.7
184.05153	9.1
198.06761	6.2
199.07494	31.6
199.09267	1.5
209.04486	1.9
212.04594	1.8
213.05551	2.5
213.09116	1.9
215.06975	1.9
216.07784	5.3
226.06242	6.5
227.06973	59.6
228.07790	7.4
229.04936	2.4
229.06952	2.7
237.05576	3.9
241.08620	1.8
243.06526	1.5
244.07199	9.7
253.04895	13.4
255.06419	34.0
257.04330	1.8
257.08176	2.2
259.09598	72.1
272.06723	2.4
275.09210	6.0
281.04364	1.7
287.09085	100.0
288.09500	1.4
289.09174	4.4
303.08618	4.6
308.26846	1.3
313.06866	8.3
331.08063	59.8
349.09097	22.3
364.43185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16687	0.7
53.03918	1.5
55.01858	1.3
57.03437	1.0
61.02913	3.4
65.03896	0.6
67.01856	4.1
68.02628	0.8
68.99775	1.7
69.03404	7.6
69.85667	0.7
77.03919	1.0
79.01817	1.1
81.03413	5.5
81.07066	0.9
83.04929	0.9
85.02890	20.3
87.04462	0.7
89.17663	0.8
91.05489	0.9
94.04164	0.9
95.04959	5.6
97.02869	8.0
99.04443	1.6
105.03371	3.6
107.04932	1.8
109.02875	1.3
109.06507	3.8
111.04433	41.4
111.07995	1.0
117.03381	1.1
121.02858	1.4
122.03616	4.2
123.04373	5.8
125.02324	3.2
125.05957	3.2
127.03886	35.9
133.01883	1.6
133.02817	22.8
134.03632	1.8
135.04402	9.3
137.02319	4.7
137.05957	100.0
138.03209	0.9
139.03885	67.6
140.04659	5.1
141.05424	3.2
145.04970	1.7
149.02336	8.4
149.05978	5.2
150.03094	1.5
150.06770	5.1
151.03821	1.3
153.05447	1.5
155.03380	40.1
157.04932	5.0
163.03880	20.6
164.04671	5.1
165.01851	0.8
165.05437	7.7
166.02576	21.3
167.03368	31.8
173.01782	1.5
173.97609	0.8
177.01791	10.5
177.05428	6.8
179.03383	3.6
180.04156	10.4
181.04930	9.6
183.04344	1.5
184.05196	1.1
187.07462	1.6
191.03429	3.5
193.04942	3.5
194.05737	1.3
197.05957	1.2
207.02846	1.7
209.04411	5.7
211.03874	1.6
211.05807	0.8
214.06247	1.4
215.07036	3.5
225.03842	12.4
226.06232	1.6
227.03493	1.0
227.07028	3.2
229.04900	1.0
229.08528	1.2
237.05534	1.2
241.08588	4.2
242.05750	1.5
243.06459	22.8
253.04951	4.3
257.04437	1.6
257.08029	1.9
260.06631	1.0
269.08026	4.6
270.05188	3.1
271.05942	46.7
272.06726	9.6
275.09131	1.9
281.04340	1.7
285.07565	5.2
299.05835	1.0
303.08575	26.7
313.07022	5.2
331.08072	60.1
349.09122	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05262	1.0
55.05507	15.7
56.80715	0.6
57.03428	11.8
57.07067	3.4
58.78603	0.7
59.04991	4.4
65.03922	0.9
65.87310	0.5
67.05494	100.0
69.07054	13.9
71.04969	1.5
79.05482	8.1
81.07040	38.4
83.08612	10.4
83.41882	0.7
85.06549	3.0
89.06010	1.1
91.05463	11.4
92.08665	0.7
93.07016	10.5
95.08588	24.1
97.06524	2.7
97.10155	2.9
99.08073	0.8
99.94052	0.7
105.07009	3.4
107.08584	5.9
109.10146	63.5
111.08063	2.5
119.08566	5.7
121.10133	4.0
123.11695	2.6
128.88235	0.6
133.10094	3.0
135.11684	1.4
137.09599	2.7
137.13324	0.9
147.11685	1.6
149.13174	0.8
155.10631	1.1
161.13164	1.0
167.34955	0.7
167.69225	0.7
173.11711	11.0
191.26508	0.7
229.14302	30.3
263.23746	1.7
298.54480	0.8
310.62341	0.6
337.27322	28.3
491.37256	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93297	1.9
53.03938	5.0
55.01860	12.6
55.05511	33.2
57.03425	9.8
57.07062	4.8
60.23687	1.9
61.02902	4.1
64.55901	2.1
67.05494	39.9
68.51986	2.3
69.03422	34.2
69.07054	38.8
70.30116	2.1
71.04976	14.7
72.42250	2.1
73.02897	2.4
79.05466	24.9
81.03425	27.7
81.03843	3.7
81.07037	62.0
83.04993	3.1
83.08604	37.2
85.02894	80.0
85.03368	4.6
85.06536	13.2
87.00823	33.5
87.62350	2.1
91.05468	41.8
93.07033	33.8
95.04951	9.6
95.08585	56.1
97.02862	30.4
97.06536	13.8
97.10153	27.6
99.04445	12.2
99.08064	3.9
100.11224	2.8
102.90038	2.2
103.05477	10.8
105.01833	17.7
105.03372	2.5
105.07022	22.0
107.04964	3.5
107.08572	39.4
109.02882	28.7
109.06529	10.5
109.10143	47.8
111.08078	11.1
111.11707	5.7
113.09602	2.8
117.07013	3.3
119.04937	13.7
119.08582	20.6
121.06503	10.5
121.10108	24.5
121.58557	2.4
122.03684	2.4
123.08079	9.5
123.11646	21.8
125.09618	13.3
127.03893	37.8
129.09084	3.0
131.08643	2.4
133.06519	4.4
133.10118	30.7
135.11685	5.8
137.02350	3.4
137.05963	84.1
137.09575	5.5
138.30289	2.2
143.04852	4.8
143.10616	2.5
145.04901	4.9
145.10120	3.0
147.04404	22.4
147.08032	5.0
147.11691	18.7
149.05960	19.6
149.13246	4.6
151.07585	3.0
151.11183	11.3
159.02881	4.1
160.05211	11.1
161.05988	11.7
161.13255	12.1
162.06673	4.9
163.03877	4.5
163.07536	14.5
163.14827	9.4
165.16385	5.9
173.05975	5.6
175.07506	23.3
177.05424	2.6
179.08401	2.8
181.06433	3.1
184.49568	2.2
187.07603	4.7
189.16365	73.6
201.05504	5.2
207.08154	3.9
207.17403	48.8
207.34587	2.9
213.05511	5.3
215.07108	2.4
217.04961	9.7
219.08086	4.5
225.18439	67.6
225.20596	3.0
227.10704	2.9
231.05017	3.8
233.08047	2.6
237.09070	2.3
243.19516	100.0
261.20578	16.9
267.10394	3.0
267.44760	2.5
279.10117	9.5
299.12708	13.6
309.14996	2.6
311.12781	9.6
313.14160	2.3
329.13751	13.5
337.13907	3.5
355.15433	10.6
437.21558	3.3
465.99329	2.3
473.23212	2.6
534.50098	2.6
536.19867	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	526.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.81790	0.4
55.01858	0.6
60.77613	0.3
63.26388	0.3
66.39740	0.3
67.75027	0.3
69.03419	6.5
71.04970	0.4
78.75202	0.4
79.05473	2.2
81.03413	1.6
81.07036	1.5
85.02902	3.6
91.05466	2.7
92.09275	0.7
94.04179	1.0
95.04928	1.3
95.08585	0.7
97.02907	0.9
99.04458	1.3
103.05446	0.5
105.07026	0.7
107.04939	1.8
109.02850	0.5
109.06509	0.8
109.10145	0.4
115.05445	0.8
119.04923	1.0
121.02854	0.5
121.06503	6.2
121.10143	0.6
122.03648	4.2
122.04375	0.5
123.04381	0.4
125.01595	0.4
125.05991	0.6
127.03878	0.7
128.35878	0.4
131.04909	1.4
133.06471	0.7
134.03604	2.0
135.04462	2.8
137.05965	100.0
143.04903	0.5
143.59761	0.3
147.04402	0.7
149.05981	6.8
151.03870	0.5
151.07504	1.5
152.06216	0.8
153.00992	0.5
153.06982	7.0
161.05927	3.2
163.03894	4.3
165.05467	2.1
165.06995	3.8
167.08531	0.6
168.05594	0.4
169.06451	0.5
170.07158	0.4
171.02060	5.0
175.07494	1.5
177.05449	2.5
178.02596	1.7
179.06961	0.5
180.05696	0.5
181.04938	8.0
181.06477	10.2
182.07253	2.6
183.08080	0.9
189.19687	0.4
191.03458	0.6
193.04958	4.8
193.06421	1.0
194.07243	0.9
195.08104	1.5
196.05252	3.0
197.06007	1.8
198.06779	1.9
205.04892	3.6
207.04420	2.0
208.05006	0.5
209.05948	3.3
210.06694	3.9
211.07535	8.7
212.08203	0.6
213.05455	1.6
213.09019	5.3
221.06042	4.6
222.06750	2.2
223.07689	0.7
224.04742	0.8
224.08279	0.8
225.05403	2.1
225.09019	1.6
226.06177	0.8
228.07835	0.9
235.03960	1.6
236.04636	2.2
237.05414	1.7
238.06175	3.5
239.06975	4.6
240.07747	0.8
241.05005	1.5
241.08656	3.4
251.07007	1.8
252.07744	0.6
253.04849	0.5
253.08609	2.6
254.05824	0.5
256.07349	3.0
257.08148	1.0
258.09119	0.5
264.04163	0.6
267.06464	2.7
268.07376	0.7
269.08038	2.2
273.11176	0.9
279.06451	2.9
282.05081	0.7
283.09747	0.6
284.06888	0.9
285.07571	3.4
297.07562	10.7
299.09103	39.1
302.07758	0.8
311.09052	3.0
313.10547	0.6
315.08548	0.4
317.10175	19.8
317.13663	1.3
329.10150	24.5
347.11194	14.5
361.06900	0.5
411.97733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1577
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
50.32481	0.8
52.45088	1.0
55.05518	1.2
63.08011	0.7
69.03417	1.0
69.78558	0.7
71.05001	1.0
79.01585	2.9
83.08605	0.9
85.02889	2.0
95.01062	1.1
95.04985	0.9
95.08556	1.1
105.06976	0.9
107.04968	4.8
119.08560	0.9
127.03872	1.0
139.03842	3.3
141.05243	1.4
163.03865	1.3
168.06581	0.9
181.04655	1.0
185.04221	3.9
199.05780	1.7
202.05951	9.7
208.45656	0.9
227.05156	6.1
243.04921	1.2
271.04276	5.2
277.10461	4.0
291.19507	5.4
305.09860	3.9
309.08740	1.4
363.11774	3.9
439.15665	13.9
481.11087	1.3
481.16711	58.9
525.15729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2322
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.44873	0.2
54.96126	0.3
55.05479	0.3
65.70618	0.3
69.03403	1.8
77.33591	0.3
79.05450	1.4
81.03396	0.6
81.07030	1.4
85.02896	2.5
87.73405	0.3
91.05447	1.7
92.09404	0.5
93.07025	0.8
95.04897	0.4
96.51528	0.3
97.02871	0.5
103.05453	6.2
104.10966	0.3
105.06997	0.4
107.04939	0.5
107.08546	0.5
109.10141	0.3
115.05440	0.3
117.06984	1.9
119.04921	0.5
121.06473	0.6
122.03629	1.3
123.08057	1.5
125.84995	0.3
128.06194	0.5
131.04903	14.8
135.08029	0.7
137.05957	21.3
143.08528	1.4
145.06424	0.4
149.09584	0.6
151.07536	6.4
161.05873	0.3
162.06731	2.4
163.07516	26.6
164.07788	0.3
171.02061	0.5
171.08011	1.2
175.07533	2.5
177.09077	100.0
178.09447	0.6
187.07571	0.4
195.10190	3.0
203.10620	0.5
215.50044	0.3
221.09576	0.4
221.11699	11.8
228.92009	0.4
278.08728	0.4
281.67969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01856	3.5
55.05502	21.3
59.04984	5.5
65.03909	3.8
67.05491	52.3
68.67790	4.4
69.03413	6.9
69.07052	74.0
77.08224	3.0
79.05470	33.5
81.03368	4.7
81.07038	96.7
83.04974	17.5
83.08626	3.8
85.02874	3.6
85.06540	4.8
91.05472	26.7
92.64724	3.1
93.07021	50.1
95.04951	72.1
95.08582	44.4
97.06516	35.6
97.10139	4.6
99.08072	25.2
103.05451	3.8
105.03386	4.1
105.07008	39.7
107.04951	13.2
107.08584	69.3
109.02872	4.1
109.06516	20.4
109.10134	32.6
111.08042	5.2
114.37904	4.5
117.06990	18.8
119.08600	28.8
121.06477	21.7
121.10130	26.4
123.08054	37.0
123.11720	13.7
125.09603	41.4
127.11202	4.5
129.06960	5.6
131.04910	6.1
131.08531	39.8
133.06442	7.6
133.10100	27.5
135.04517	3.5
135.08057	7.8
135.11685	13.8
137.02368	6.4
137.05972	38.6
139.07530	3.5
141.06963	4.5
143.08549	21.1
145.10100	71.5
147.04376	6.3
147.08058	8.4
147.11682	7.8
149.06017	4.8
149.09650	14.0
149.13316	3.5
151.11177	68.3
153.08954	4.2
155.08545	7.8
157.10130	14.3
158.07234	6.0
159.08070	7.5
159.11703	28.1
161.09621	8.8
161.13264	3.7
163.03931	4.5
163.11295	3.4
163.14729	3.7
164.06975	3.0
165.12703	31.3
167.08562	3.9
169.10080	6.2
169.12207	7.2
171.08067	6.9
171.11696	5.6
173.09589	54.7
173.13228	31.1
175.14772	4.5
177.09105	7.6
179.25896	3.8
180.83958	3.8
183.11702	4.7
185.13293	5.2
187.11119	15.2
187.14841	4.4
189.09093	13.7
191.10683	21.0
191.14255	46.7
195.11688	13.6
197.09595	4.6
197.13258	5.3
201.12758	4.8
203.14233	3.3
205.12125	4.9
209.15369	15.8
211.14725	4.2
213.12656	10.4
215.14262	6.7
219.13768	19.8
221.13264	4.1
223.14787	5.0
225.12724	8.2
225.16176	4.6
227.14369	4.5
231.13734	17.0
233.08168	5.9
235.14786	4.1
237.16295	5.4
239.14197	6.2
247.13148	5.7
249.14828	18.5
255.17506	6.8
265.15845	13.7
283.16898	14.3
285.18307	5.5
293.19104	5.5
301.17987	30.4
303.19678	26.9
311.20013	15.6
313.21478	5.1
319.19006	4.4
329.20914	14.2
331.22635	13.6
347.21960	6.0
357.20523	16.1
371.22098	48.5
409.27426	16.7
427.28323	67.1
435.28763	4.8
445.29385	45.6
453.29755	16.1
463.30585	6.5
471.30923	100.0
489.31815	19.3
520.60742	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	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.2
57.03427	10.1
57.07076	4.0
58.06590	44.7
59.07374	17.6
60.08150	13.3
66.36154	2.0
67.05488	5.4
69.07063	5.0
71.08598	2.4
75.04463	2.8
79.05487	2.6
81.07028	9.1
81.35643	2.3
85.02903	3.0
87.04446	9.1
93.07030	4.8
95.08579	3.6
100.23711	2.2
105.07023	2.8
107.08588	4.6
119.08566	2.4
121.10109	2.2
145.10172	2.7
162.11279	3.7
172.00551	2.8
236.14891	100.0
291.28195	2.5
351.90964	2.4
386.18964	2.4
506.38391	8.3
524.32507	3.2
524.39496	49.8
530.89563	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	43.5
85.02867	12.1
93.90726	12.2
97.02858	58.1
98.97566	100.0
103.57576	11.8
108.89384	10.5
113.03497	20.2
116.98588	88.6
117.27132	10.0
119.01955	18.0
134.99661	52.3
135.90654	10.7
138.05460	15.4
177.00833	21.3
219.01894	18.3
227.67946	11.2
240.90581	16.2
243.02046	14.0
258.91647	25.5
258.99747	27.6
261.02902	88.3
277.00909	51.5
284.99695	18.6
301.01163	20.9
303.00748	16.1
355.93802	27.2
380.93411	15.1
382.83389	62.1
382.91751	47.8
397.94623	41.1
400.92593	68.2
460.00055	13.1
504.69095	12.1
519.91309	59.9
537.92120	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	1-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.04659	0.5
55.05499	0.7
56.05037	0.5
57.03431	0.9
57.07065	7.3
58.06584	0.8
58.31971	0.4
60.07860	1.1
60.08151	22.0
67.05501	2.2
69.07050	2.1
71.07364	8.4
71.08614	4.4
81.03372	0.8
81.07034	2.8
83.08598	0.8
85.10172	2.6
86.09695	75.6
89.98995	0.5
95.08591	4.1
96.32912	0.5
96.77811	0.5
97.10162	0.8
98.98446	4.7
102.87762	0.6
104.10729	99.6
107.08608	0.6
109.10182	1.3
123.11697	0.8
124.99982	44.6
143.00984	0.9
163.01584	0.7
184.07315	100.0
188.35814	0.5
229.38701	0.6
258.11224	0.7
327.28928	2.0
341.30603	0.8
506.35956	8.3
524.37042	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64701	1.0
55.05501	19.2
57.03425	18.2
57.07075	2.1
59.04982	4.8
66.24743	1.2
67.05492	100.0
69.07049	7.9
71.04966	2.2
78.08737	1.1
79.05470	23.2
81.07035	35.7
83.08595	7.7
85.06555	2.3
91.05466	16.5
92.36680	1.2
93.07020	21.7
95.04931	2.6
95.08586	26.0
97.06487	1.3
105.07006	5.4
107.08544	9.7
109.09379	2.3
109.10143	69.9
111.08046	1.3
117.07003	1.4
119.08559	9.3
120.83986	1.1
121.10143	9.4
123.11677	1.4
131.08530	1.5
133.10085	2.6
134.51753	1.5
135.11667	4.3
137.09593	2.7
145.10005	1.5
149.13150	1.2
159.11667	1.9
173.11781	15.5
173.13141	2.2
183.87944	1.1
210.13583	1.2
229.12073	1.6
229.14317	39.9
261.22086	5.8
279.66507	1.1
289.19513	1.2
335.25702	37.0
354.78320	1.3
396.16583	1.3
489.35632	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05288	2.8
55.05506	38.7
59.90702	2.7
67.05490	38.2
69.07040	20.7
72.45265	3.2
76.34633	2.7
78.90408	2.7
79.05465	37.2
81.03385	8.3
81.07040	52.7
83.04933	6.0
83.08602	27.8
91.05455	48.1
93.07037	34.5
95.04956	51.0
95.08578	30.1
96.10630	3.3
96.54517	3.2
97.06503	4.3
97.10139	4.8
105.07021	54.1
107.04930	17.8
107.08592	29.1
107.09200	3.2
109.10119	23.5
115.31857	3.2
117.06999	18.9
119.08570	30.6
120.33151	3.1
121.06508	4.2
121.10121	21.6
123.08056	4.0
123.11625	4.8
125.09632	5.2
129.06989	3.7
131.08521	15.9
133.10129	39.8
135.11687	6.2
143.08536	3.6
145.10080	26.7
147.08064	4.3
147.11658	4.9
149.09572	32.0
151.11127	6.1
159.11687	21.9
161.13330	3.9
163.11162	29.5
171.11678	4.3
173.13232	6.2
187.11075	4.2
223.13210	19.8
257.19131	11.3
275.19980	100.0
293.21030	42.4
319.76917	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	524.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.6
55.05505	40.0
57.03456	3.6
67.05496	36.4
68.41631	3.0
69.03413	3.5
69.07061	20.5
79.05477	39.6
81.03410	3.9
81.07043	84.3
83.04967	17.7
83.08614	21.2
90.26913	2.9
91.05456	27.8
93.07038	41.4
95.04967	22.3
95.08604	16.5
97.06530	6.2
97.10164	26.0
103.15051	3.3
105.03406	3.2
105.07014	23.7
106.93067	3.5
107.04971	20.6
107.08588	34.8
109.06521	5.8
109.10182	5.6
111.04453	7.6
111.08081	6.2
117.06956	23.4
119.08556	31.4
121.06534	8.4
121.10160	8.0
123.08081	6.6
125.09657	19.1
129.06963	3.6
131.08582	15.3
133.06511	5.4
133.10143	13.1
135.08076	11.2
135.11671	20.3
143.08566	5.8
145.10120	19.7
145.26390	3.5
147.08055	16.8
149.09631	5.2
150.54756	3.4
153.09111	4.2
155.08638	4.0
157.10036	5.4
159.11629	4.2
163.11186	5.8
165.09099	3.7
173.09659	4.8
181.12224	5.9
189.11195	5.0
191.10619	5.5
215.03923	3.2
273.18527	30.8
291.19479	100.0
309.20392	4.1
345.39841	3.5
502.45322	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	524.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57317	1.3
53.03932	6.6
55.01863	9.0
55.05509	29.3
55.59855	1.2
56.38539	1.3
57.03434	3.6
57.07068	3.2
59.04978	1.4
61.02924	2.9
62.57524	1.3
62.69700	1.6
67.05497	43.4
68.99784	2.0
69.03409	21.7
69.07058	24.9
71.04984	8.4
73.02901	2.8
79.05473	29.2
81.03401	20.5
81.07043	75.7
82.07375	2.9
83.04966	8.0
83.08603	31.8
85.02894	50.8
85.03368	3.2
85.06530	6.3
87.00809	23.0
91.05466	10.8
93.07027	37.4
94.07372	2.8
95.04955	3.9
95.08589	100.0
96.08945	1.8
97.02875	17.9
97.06518	8.1
97.10131	11.2
99.04443	8.3
99.08048	3.4
105.01863	12.2
105.07018	14.0
107.08578	42.1
108.08940	1.8
109.02850	17.1
109.06506	6.9
109.10152	55.3
111.08060	7.8
117.01797	1.8
117.07029	1.7
119.08569	12.7
121.10117	45.2
123.08076	2.7
123.11681	8.0
125.09637	3.3
127.03889	22.2
131.08510	12.9
133.10103	10.3
135.04417	2.0
135.08032	2.4
135.11659	20.6
137.09563	1.6
137.13164	1.8
145.05009	2.5
145.10071	15.1
147.11690	4.0
149.09546	5.9
149.13219	7.2
159.02869	7.7
159.11682	6.4
161.13240	3.3
163.03900	2.2
163.14781	6.5
165.12730	3.9
167.10657	2.6
177.16362	26.9
181.12239	2.0
187.14822	26.0
205.15849	23.9
223.16890	54.8
231.04936	1.8
241.17940	97.6
259.19022	50.2
272.56631	1.8
307.26505	2.3
308.26544	2.3
383.24158	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	524.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.03432	2.0
57.97489	0.2
61.02909	0.5
65.03938	0.2
69.03415	9.4
71.01337	0.3
71.04971	1.7
73.02895	0.3
73.06511	0.4
79.05466	1.2
81.03412	5.5
83.04973	0.4
85.02888	5.7
89.03918	2.3
91.05479	0.4
93.03359	0.4
97.02261	0.5
97.02876	12.2
99.04451	2.7
101.02354	0.4
101.05992	0.6
105.07029	0.3
106.69404	0.2
107.04951	4.0
107.08527	0.4
109.02856	1.9
111.04432	6.3
115.03963	1.1
117.03347	3.5
119.04926	0.4
121.10089	0.4
123.04393	2.5
127.03892	5.4
129.05495	0.3
135.04399	19.2
137.02309	1.1
137.05972	1.6
139.03889	10.8
144.71519	0.3
145.02843	11.2
145.04964	1.6
147.11673	0.6
149.09647	0.3
153.05458	5.2
163.03880	100.0
164.04236	1.1
165.05537	0.4
175.11143	0.5
181.04883	2.7
187.05981	5.4
194.45280	0.3
205.06969	0.4
206.27620	0.3
209.76175	0.3
224.74007	0.3
241.06938	0.3
283.08118	2.6
307.08063	1.0
325.09128	28.0
338.51395	0.3
343.10040	0.5
403.10553	0.4
439.12131	1.1
542.11456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57317	1.3
53.03932	6.6
55.01863	9.0
55.05509	29.3
55.59855	1.2
56.38539	1.3
57.03434	3.6
57.07068	3.2
59.04978	1.4
61.02924	2.9
62.57524	1.3
62.69700	1.6
67.05497	43.4
68.99784	2.0
69.03409	21.7
69.07058	24.9
71.04984	8.4
73.02901	2.8
79.05473	29.2
81.03401	20.5
81.07043	75.7
82.07375	2.9
83.04966	8.0
83.08603	31.8
85.02894	50.8
85.03368	3.2
85.06530	6.3
87.00809	23.0
91.05466	10.8
93.07027	37.4
94.07372	2.8
95.04955	3.9
95.08589	100.0
96.08945	1.8
97.02875	17.9
97.06518	8.1
97.10131	11.2
99.04443	8.3
99.08048	3.4
105.01863	12.2
105.07018	14.0
107.08578	42.1
108.08940	1.8
109.02850	17.1
109.06506	6.9
109.10152	55.3
111.08060	7.8
117.01797	1.8
117.07029	1.7
119.08569	12.7
121.10117	45.2
123.08076	2.7
123.11681	8.0
125.09637	3.3
127.03889	22.2
131.08510	12.9
133.10103	10.3
135.04417	2.0
135.08032	2.4
135.11659	20.6
137.09563	1.6
137.13164	1.8
145.05009	2.5
145.10071	15.1
147.11690	4.0
149.09546	5.9
149.13219	7.2
159.02869	7.7
159.11682	6.4
161.13240	3.3
163.03900	2.2
163.14781	6.5
165.12730	3.9
167.10657	2.6
177.16362	26.9
181.12239	2.0
187.14822	26.0
205.15849	23.9
223.16890	54.8
231.04936	1.8
241.17940	97.6
259.19022	50.2
272.56631	1.8
307.26505	2.3
308.26544	2.3
383.24158	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	524.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11490	0.1
54.81841	0.2
54.99731	0.1
57.16188	0.2
58.87743	0.1
60.31148	0.1
71.91548	0.1
74.21693	0.1
78.37553	0.1
79.05466	0.7
83.18489	0.2
86.58900	0.1
89.03891	0.6
91.05457	0.3
92.09310	0.2
93.07030	1.1
94.35954	0.1
95.04901	0.2
96.00571	0.2
103.05450	5.3
107.04941	1.9
115.20342	0.1
117.03358	0.7
120.08083	100.0
121.08432	0.8
131.04904	2.9
135.04375	2.0
145.02831	1.3
149.05974	1.4
163.03868	8.8
163.05177	0.3
166.08607	25.3
195.33511	0.2
316.65573	0.2
386.40506	0.2
447.47577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
53.79416	1.5
55.01859	2.6
55.05507	21.5
57.03428	13.2
57.06813	2.8
57.07072	60.1
65.03931	1.7
67.05493	35.0
67.62268	1.8
69.07047	12.1
71.04989	3.3
71.08608	33.2
76.29782	2.1
78.09479	1.7
79.05471	24.5
81.03403	49.3
81.07038	50.3
83.04956	8.2
83.08611	28.2
85.02879	20.2
85.06516	2.2
85.10165	18.9
91.05451	30.6
93.07025	15.2
94.33001	2.0
95.04948	21.0
95.08591	38.4
97.10149	4.2
105.07026	17.2
107.04931	2.1
107.08583	7.4
109.06489	4.2
109.10145	16.0
110.40582	2.0
111.08073	2.4
119.08600	20.6
121.10144	8.1
123.08124	2.5
123.11738	3.0
129.06996	12.8
131.08542	9.2
133.10115	8.3
147.08075	4.0
147.11700	8.6
149.09595	3.8
157.10124	9.0
175.11214	7.7
193.12210	23.7
211.13243	17.7
267.15897	15.0
268.34360	2.1
313.27301	18.1
449.33704	2.1
505.39001	15.5
523.31885	3.7
523.39819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.5
55.05505	19.7
56.81701	2.7
57.03438	24.5
57.07065	64.0
57.95921	3.3
67.05492	31.1
69.07061	18.2
71.08617	37.2
79.05486	20.7
81.03403	100.0
81.07032	42.7
83.04996	5.3
83.08601	32.6
85.02906	8.1
85.10171	22.5
91.05475	27.8
91.45515	3.4
93.07043	17.6
95.04962	25.5
95.08595	35.4
97.10154	4.7
105.07024	22.2
107.04933	5.0
107.59113	3.2
109.06502	6.3
109.10160	6.6
117.07013	3.8
119.08547	7.8
121.10104	5.1
123.11720	4.1
126.57854	3.4
129.06979	15.3
131.08578	7.9
147.11676	7.3
157.10088	5.2
175.11214	4.6
193.12230	26.5
211.13258	13.3
217.85332	3.5
267.15854	52.1
313.27380	71.4
505.38763	33.1
523.39941	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65314	40.6
66.93902	41.3
75.62019	50.5
90.43694	45.5
90.71837	50.8
93.03056	45.3
109.18758	61.8
109.37268	63.5
135.08099	51.4
171.65994	48.6
192.40115	59.4
283.44574	56.0
309.89874	55.8
406.07922	50.2
523.33905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01861	1.4
55.05506	29.2
57.03424	2.2
57.07066	15.5
67.05144	1.8
67.05491	35.9
69.03407	11.9
69.06672	1.2
69.07054	57.0
71.04974	7.2
71.08611	7.3
79.05479	23.3
81.03399	5.0
81.07041	100.0
83.04964	20.9
83.08609	21.2
85.02892	17.1
85.06548	8.2
85.10176	1.2
91.05470	18.3
93.07028	38.4
95.04949	12.5
95.08589	67.4
95.09200	2.6
97.02877	6.0
97.06513	14.4
97.10158	14.2
99.04411	1.3
99.08077	7.2
105.07023	31.3
107.04954	1.3
107.08580	27.1
109.02871	1.9
109.06495	6.2
109.10150	40.0
111.08077	7.0
111.11720	5.7
113.06004	5.7
117.06979	2.3
119.08541	17.5
119.63212	1.1
121.06445	1.3
121.10123	20.4
123.08083	2.4
123.11687	15.4
125.09599	4.3
125.13256	1.6
127.03904	5.2
127.11172	1.7
131.08540	10.1
133.10104	11.6
135.04346	1.2
135.08054	2.0
135.11671	17.8
137.05920	1.2
137.09610	1.3
137.13231	7.9
145.04909	1.3
145.10088	9.5
147.11649	10.5
149.13213	11.4
151.11104	1.2
151.14725	1.4
159.02911	1.1
159.11610	7.4
161.13269	8.7
163.03880	10.3
163.11127	1.4
163.14792	5.0
165.12741	1.7
167.10687	1.2
173.13293	2.3
173.15302	1.3
175.14763	1.5
177.12700	1.1
177.16405	2.1
179.17926	1.4
187.14766	1.9
189.16301	1.5
191.17935	1.9
203.17986	1.8
209.19073	1.6
215.17982	1.7
219.21034	1.4
221.19008	2.0
237.51114	1.2
239.20097	1.4
271.24124	5.7
277.25238	2.3
279.26996	1.1
289.25250	13.8
295.26361	1.6
297.15884	1.2
307.26291	27.8
325.27206	14.6
343.28430	2.0
361.29504	2.1
450.09024	1.2
486.30756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22386	4.3
55.01865	9.1
55.05502	10.0
57.03418	6.7
59.40375	5.2
64.09475	5.7
66.77517	5.0
67.05499	65.1
69.03404	12.2
69.07041	14.8
71.04978	7.7
71.72209	5.5
79.05452	46.1
79.98378	5.5
81.03387	10.9
81.07043	100.0
81.29218	6.2
83.04958	7.6
83.08641	8.8
85.02895	32.8
87.04411	6.6
88.69359	5.7
91.05466	55.9
93.07026	67.6
95.04939	14.2
95.08598	48.2
97.02850	9.6
97.06521	12.5
99.04430	8.6
99.08033	6.5
103.93506	6.0
105.07023	50.1
107.04910	9.7
107.08578	50.3
109.02863	6.1
109.06486	28.0
109.10141	31.8
110.07130	24.5
111.04425	7.6
111.15504	5.6
119.08528	58.5
121.02939	6.5
121.06484	9.2
121.10127	12.1
123.07997	10.0
123.11690	7.4
127.07562	13.1
130.57756	8.3
131.08545	23.8
133.10112	32.1
135.07997	14.4
135.11626	8.0
137.05952	38.8
143.08446	11.0
145.10042	7.5
146.50827	6.7
147.08083	7.1
147.11638	9.9
149.13193	8.8
151.03883	6.4
153.08940	7.3
155.07022	9.9
159.11647	10.8
161.13200	54.5
164.07033	42.5
166.37785	5.8
175.14841	8.4
175.86020	6.4
185.13252	9.9
189.09065	9.9
203.14265	24.1
209.15395	7.5
219.10139	39.3
221.15369	42.4
239.16440	57.3
257.17496	31.4
285.06644	8.6
286.06729	6.3
287.07294	6.7
293.52362	6.1
315.07596	8.5
504.33594	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	523.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40184	0.5
55.01859	1.1
55.05502	2.9
57.03424	1.0
57.07059	1.3
63.40075	0.7
64.33525	0.7
67.05508	6.5
68.99774	9.6
69.03410	2.9
69.07049	5.2
71.04985	1.1
78.14497	0.8
79.05477	5.9
81.03426	1.3
81.07032	8.0
83.04967	4.6
83.08616	2.8
85.02896	3.0
85.06597	0.9
89.03912	10.8
91.05451	4.9
93.07028	5.1
93.11996	0.9
95.04954	6.0
95.08586	9.6
97.02890	1.0
97.06519	6.5
97.10151	1.4
105.07008	3.8
107.04937	4.7
107.08592	4.0
109.06458	1.0
109.10135	3.6
111.00795	8.7
113.05970	0.7
117.03362	11.8
117.07014	1.2
119.08569	3.3
121.10123	1.6
121.75550	0.9
123.04445	1.0
123.11700	1.6
124.00851	0.8
131.04904	1.5
131.08530	1.3
133.10100	1.7
135.04395	28.9
137.05989	1.2
141.13947	0.7
145.02846	19.2
145.10110	1.0
147.04367	7.7
147.11603	0.9
149.05984	1.2
159.11682	1.1
161.05942	1.8
163.03876	100.0
164.03973	0.9
173.02419	0.9
175.03897	8.6
181.14832	0.7
183.11633	1.3
187.03859	4.7
189.05412	3.8
191.06978	4.5
199.03882	1.8
201.12671	1.1
205.04915	6.5
213.05363	0.9
215.03355	1.7
215.07053	1.0
217.04985	8.1
241.05054	0.9
243.02814	13.8
259.06149	1.3
277.25415	0.8
285.03885	3.2
301.07053	4.5
307.26254	1.0
327.04935	4.6
355.15088	0.8
361.09000	1.2
381.23276	0.8
383.68890	0.8
387.07065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.217
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03946	1.0
54.27366	0.8
55.01861	1.5
56.24860	0.7
57.03435	1.5
57.49592	0.7
65.03943	0.7
67.05488	1.0
68.99787	0.9
69.03416	13.9
71.04968	1.2
71.89231	0.8
76.65516	0.8
79.05480	1.6
81.03406	13.2
83.04999	0.8
85.02892	15.8
91.05474	9.5
95.04950	1.7
97.02869	5.3
99.04448	3.7
103.05436	7.9
105.07037	6.0
107.04942	16.1
109.02861	4.3
111.04449	1.8
115.05446	4.5
117.06995	2.0
119.04930	16.9
119.08562	0.9
121.06483	3.6
122.03664	5.7
127.03889	4.6
128.06155	1.0
129.06981	6.4
131.04892	16.6
131.47110	0.9
133.06464	7.3
135.04401	1.8
135.08049	1.4
136.05156	0.8
137.05959	100.0
139.03888	27.1
141.06996	1.3
143.04924	1.0
143.08510	0.8
145.04869	0.9
145.06476	7.2
147.04398	30.3
147.08070	1.9
148.05223	1.0
149.05951	12.7
151.07524	29.5
153.06966	1.1
157.06502	4.8
159.04420	0.8
159.08011	1.3
160.05193	3.4
161.05966	11.7
161.09622	1.2
163.03806	1.6
163.07536	16.4
164.04628	0.9
165.06979	1.0
165.09140	1.4
167.07016	3.1
167.08496	1.1
169.06497	4.2
171.08043	3.3
173.05917	0.9
174.06766	2.9
175.07523	14.7
177.05424	9.2
177.09093	5.2
179.07010	16.3
179.10562	0.9
185.05923	3.0
186.06732	0.9
187.07558	4.0
189.09053	10.8
191.06995	10.1
191.10704	0.8
193.08572	3.6
195.08017	1.7
195.10286	0.8
197.05942	3.3
199.07565	1.8
201.05565	0.8
201.09106	3.7
203.07033	5.4
203.10625	1.0
205.08601	1.1
207.10114	4.5
212.08087	1.0
213.09074	1.6
215.07045	3.3
217.08511	3.1
219.10182	1.4
221.07993	1.1
225.11208	1.0
227.06773	0.8
227.10573	1.7
229.08604	3.8
231.10069	1.1
245.08009	1.3
249.11057	0.9
257.08060	1.0
259.09549	0.8
273.11255	4.9
275.09000	6.4
291.12234	4.9
297.11276	1.3
323.11310	1.0
325.14450	1.2
343.15302	3.6
349.08295	0.9
441.86157	0.9
469.18732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74817	0.2
54.30301	0.2
55.05506	0.7
56.05021	0.4
57.03418	0.2
57.07070	0.3
58.06581	0.3
59.07391	0.2
60.08154	7.8
67.05502	0.4
69.07047	1.0
70.50170	0.2
71.07362	3.2
79.05486	0.4
81.07043	1.1
83.08612	0.3
84.40287	0.2
85.90704	0.2
86.09692	44.3
91.05468	0.3
93.07041	0.3
95.08591	0.8
98.98441	3.5
104.10731	3.9
105.06979	0.2
107.08549	0.4
109.10130	0.3
116.25891	0.2
121.10143	0.3
124.99983	33.0
143.01041	0.4
153.22789	0.2
167.28918	0.2
184.07312	100.0
185.07648	0.4
211.15065	0.2
252.63252	0.2
425.86212	0.2
504.34326	0.9
522.35419	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	522.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25650	2.3
53.03935	4.0
55.01867	5.9
55.05508	34.8
57.07072	3.8
62.68570	2.3
64.33758	2.9
67.05492	34.1
69.07054	20.4
74.23724	2.8
79.05479	41.8
80.43599	2.7
81.03403	10.8
81.07038	50.9
83.04954	12.2
83.08594	30.8
91.05461	44.1
93.07017	39.5
95.04953	39.1
95.08603	28.6
95.09120	3.3
97.06492	11.6
97.10143	4.9
105.07014	46.2
107.04945	12.0
107.08601	32.6
109.06458	10.4
109.10131	14.4
117.07006	19.9
119.08547	29.5
121.06490	5.0
121.10136	22.0
123.08085	3.8
131.08517	13.6
133.10115	37.0
135.08029	6.7
135.11699	6.3
137.09628	5.3
145.10086	26.8
147.11633	12.4
149.09608	33.1
149.13231	4.9
151.11137	4.7
154.22954	2.7
155.08580	3.9
159.11681	16.1
161.13289	5.1
163.11171	33.1
169.09996	4.1
171.95441	3.0
173.09634	5.1
173.13275	6.0
183.11813	3.0
195.13812	3.2
223.13249	17.0
239.17793	11.1
257.19012	16.0
275.20013	100.0
293.21066	53.9
400.38007	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73797	0.3
53.03922	0.5
55.01850	0.6
55.05484	2.2
57.03429	10.8
58.06593	38.2
59.07372	14.7
60.08153	10.3
64.33543	0.3
67.05486	4.3
69.07029	1.7
70.47068	0.3
71.34388	0.3
73.02863	1.5
73.78607	0.4
75.04459	5.3
79.05482	4.4
81.07057	3.6
85.02898	3.0
87.04449	7.8
89.06004	0.9
91.05460	6.2
93.05473	0.5
93.07014	2.6
95.04928	1.4
95.08570	2.4
96.23838	0.4
97.06496	0.8
97.10095	0.4
103.03883	0.5
105.05476	0.8
105.07014	8.5
106.07355	0.8
107.08548	0.7
109.10159	0.5
117.06991	0.7
119.08529	2.1
121.10143	0.5
123.08060	0.4
131.07025	2.5
131.08461	0.7
133.10135	0.7
144.10190	8.1
144.82977	0.4
145.09973	0.4
147.08052	0.8
162.11223	5.7
218.13928	0.5
236.14896	100.0
237.15305	0.4
251.14026	0.4
347.65402	0.4
356.99332	0.4
385.41132	0.5
388.48807	0.5
393.72610	0.4
402.81711	0.4
504.36700	15.3
522.37799	56.6
523.38477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66629	0.5
51.59521	0.5
53.03943	0.6
54.52712	0.4
55.01870	10.1
57.03434	10.1
58.09277	0.5
61.02921	5.3
69.03419	38.9
71.01322	0.6
71.04977	3.1
72.08076	0.5
73.02901	7.2
78.36248	0.5
78.59296	0.5
79.54259	0.5
80.91801	0.6
81.03413	7.1
84.04485	0.8
85.02894	100.0
87.04451	1.0
90.07015	0.5
91.03929	1.3
97.02878	36.3
99.04436	8.8
101.02347	7.1
103.03947	0.7
106.96510	0.5
108.79944	0.5
109.02869	6.7
111.04411	0.6
115.03900	3.9
117.03388	1.1
127.03899	70.2
135.04391	2.1
145.04941	43.7
147.04407	0.6
163.03877	9.7
163.05972	12.2
175.30051	0.6
181.04993	1.4
188.80099	0.6
223.05930	0.6
245.16374	0.5
259.08124	1.2
271.08157	1.3
289.09091	4.0
325.11310	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	522.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.82256	0.5
55.01873	9.9
57.03432	11.3
57.38073	0.5
58.92549	0.4
61.02913	5.0
64.74132	0.4
69.03419	35.3
69.35711	0.5
71.01348	0.7
71.04975	2.2
73.02906	5.6
81.03412	5.1
84.04527	0.5
85.02895	100.0
87.04448	1.2
91.03941	1.2
97.02879	35.8
99.04448	10.2
101.02393	6.4
103.03927	0.9
109.02881	7.6
111.04378	0.6
115.03917	4.2
119.04960	0.5
127.03902	74.9
133.43185	0.6
135.04436	0.9
138.51884	0.6
145.04947	46.2
147.04366	1.1
163.03928	6.8
163.05983	14.6
172.77029	0.5
180.08720	0.5
181.04967	1.2
223.05989	0.7
251.41512	0.5
259.08224	0.9
271.08005	0.8
289.09155	4.2
310.10471	0.5
325.11453	5.4
400.22983	0.6
454.20227	0.7
481.27124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
54.81495	0.8
55.01859	5.0
55.05495	1.3
57.03423	6.4
61.02912	3.2
67.05476	1.1
68.16962	0.7
68.99780	1.5
69.03422	12.5
69.07047	0.9
71.04984	0.9
73.02902	2.9
73.73766	0.6
75.04430	1.6
79.05482	1.6
81.03405	11.5
83.04964	1.4
85.02895	19.2
87.00817	10.8
89.14584	0.8
91.61243	0.7
93.07026	1.1
95.04945	1.3
95.08561	1.2
96.96738	0.8
97.02885	9.6
99.04448	4.5
103.05431	1.5
105.01844	4.5
105.07013	27.7
107.04939	3.1
109.02850	8.7
109.06499	1.0
111.04446	1.0
113.06010	1.0
115.05429	0.9
117.06944	0.8
119.08545	3.5
121.06507	0.9
123.04359	1.6
127.03892	11.8
131.04909	2.9
131.08533	0.9
133.06470	57.1
135.04419	3.3
137.02328	1.7
137.05962	100.0
145.02856	1.2
145.04919	3.4
145.10138	1.4
147.04459	1.5
147.07959	1.0
147.11612	2.4
151.07521	0.9
151.96964	0.8
159.02899	1.6
163.03885	11.0
163.07501	5.8
165.09081	30.7
175.07523	4.2
181.08563	1.5
183.10136	11.0
203.10648	1.4
221.11682	3.4
221.15329	1.1
231.04999	1.1
239.12718	3.2
257.13797	52.5
279.87363	0.7
296.03381	0.7
325.09073	1.6
326.26263	1.0
341.08466	0.8
347.14923	0.8
522.59357	0.8
542.08563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01870	0.4
57.03418	1.5
59.04979	1.5
61.02916	0.5
65.03924	0.2
68.99762	0.4
69.03077	0.3
69.03423	5.2
71.01340	0.3
71.04962	1.0
73.02913	0.4
76.00334	0.2
79.05457	0.4
81.03415	2.5
85.02893	9.6
85.03349	0.3
87.04453	0.4
89.03896	2.8
91.05472	0.3
95.04946	0.3
96.29816	0.3
97.02872	5.7
99.04450	1.6
107.04951	2.2
109.02864	1.9
111.04424	2.1
117.03365	4.4
123.04392	1.2
127.03909	2.9
135.04398	17.4
137.02332	5.5
139.03908	2.1
145.02840	14.0
145.04910	4.0
149.02296	0.4
153.05473	1.1
163.03882	100.0
164.04143	0.6
177.05470	0.3
179.03381	1.3
181.04926	18.2
185.86963	0.3
187.06070	0.9
197.04314	0.4
221.61258	0.3
283.08179	1.0
307.08133	1.3
323.07510	0.5
325.09109	3.3
380.26086	0.3
392.70648	0.4
437.10699	0.4
540.33380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85364	0.7
52.82195	0.7
55.01878	1.1
55.05519	0.8
57.62255	0.9
67.05500	2.2
68.96362	0.8
69.03429	1.6
69.07069	2.1
79.05476	1.8
81.03412	1.2
81.07042	2.2
83.04971	0.9
85.02899	3.8
87.00809	1.3
91.05464	10.4
92.08675	3.4
93.07030	4.4
95.04964	1.2
95.08644	1.4
97.02902	1.0
97.06519	7.2
105.07007	6.8
107.04952	5.2
109.06557	1.5
109.10143	1.4
119.04958	1.1
119.08585	1.2
121.06487	28.1
123.04395	3.9
127.03955	1.4
133.06522	1.8
134.07278	3.8
135.04401	2.2
135.08086	4.4
137.05937	1.5
144.39778	1.0
147.08022	9.0
149.05952	13.9
151.07564	2.1
159.08014	1.2
163.07518	2.0
165.06993	4.1
175.07509	1.9
179.08488	1.0
183.08015	1.2
197.09624	4.0
210.06790	2.2
211.07544	1.0
211.11362	1.0
224.08337	1.4
225.09103	5.5
226.09863	3.8
242.09445	4.4
251.40759	0.9
257.11673	100.0
305.24719	1.0
355.15320	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81791	6.5
55.05513	9.7
57.03428	13.8
57.07064	66.4
67.05498	61.2
69.07070	8.1
71.08623	37.9
71.37557	5.2
78.98394	5.6
79.05486	95.9
79.05906	8.5
79.70213	6.2
81.03391	12.8
81.07052	40.6
83.04968	11.6
83.08591	10.8
85.10178	14.9
88.58141	6.1
91.05478	64.5
93.07029	38.7
94.21619	6.2
95.04984	13.5
95.08589	33.8
97.06519	9.8
97.10126	6.9
102.65887	7.2
105.07027	43.4
107.04940	41.9
107.08603	13.1
109.10220	6.4
117.06979	46.7
119.08536	14.8
124.16983	6.5
129.07008	15.5
131.08565	47.0
135.11717	14.4
145.06480	8.3
145.10127	40.2
147.08041	11.4
163.11166	37.0
173.09625	30.1
180.10773	6.4
191.10635	8.1
265.14346	43.7
270.35956	7.4
313.27341	100.0
480.35043	8.6
503.36923	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3321
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
53.03926	2.8
54.81402	2.1
55.05507	25.0
57.07057	10.4
59.78077	2.1
63.34577	2.5
67.05497	43.3
69.03414	5.4
69.07061	37.8
79.05476	38.5
81.03390	5.9
81.07040	100.0
83.04935	10.5
83.08596	15.4
85.02872	3.6
85.06497	2.6
91.05448	16.6
92.08733	3.1
93.07020	76.1
95.04925	3.5
95.08590	90.7
97.02884	3.8
97.06495	20.2
97.10139	14.7
105.07022	38.2
107.08576	61.3
109.06520	3.6
109.10146	52.9
111.08060	5.5
114.36519	2.6
119.08577	25.9
121.10133	39.9
123.08052	4.1
123.11700	23.0
131.08502	5.0
133.10100	51.4
135.11671	27.6
137.09593	5.8
137.13249	6.2
139.00612	2.6
145.10075	4.7
147.11678	16.0
149.13248	30.6
151.11165	2.8
157.10078	2.6
159.11673	5.7
161.13205	10.1
163.03836	4.8
163.14781	15.9
165.12642	3.4
175.14847	5.1
177.16325	4.7
181.22084	2.9
189.05353	3.0
189.16312	5.0
204.95033	2.4
215.07259	3.4
246.49561	2.7
259.09549	4.6
259.24155	19.7
277.25208	17.8
287.23474	5.1
293.24728	15.7
305.24692	48.4
323.25854	24.1
412.81378	2.7
521.30731	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	521.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43957	3.0
55.01875	3.8
55.05510	34.4
57.03427	3.0
57.07064	8.3
62.06065	3.0
63.28940	3.4
67.05491	38.6
69.03416	4.8
69.07048	38.1
73.19233	3.4
79.05479	25.7
81.03388	4.4
81.07040	100.0
83.04951	5.5
83.08604	17.9
85.02909	16.7
87.04461	3.7
87.80354	3.2
91.05441	24.5
93.07029	67.9
95.04913	4.4
95.08592	92.5
97.06492	8.6
97.10165	15.4
105.07016	24.8
107.08584	65.1
109.06506	4.6
109.10155	59.2
111.08055	3.6
111.11710	5.9
114.37897	3.5
119.08552	22.2
121.10109	47.8
123.08054	4.1
123.11674	27.8
125.09642	4.1
130.42227	3.4
133.10117	39.3
135.04404	3.6
135.11711	23.6
137.09659	4.1
137.13206	4.1
139.11215	4.1
145.10115	5.8
147.11681	23.3
149.13245	44.3
151.11194	4.1
157.10066	3.8
161.13216	5.9
163.03925	8.3
163.14813	7.5
165.12646	4.1
173.13280	4.8
189.16382	5.4
190.70354	3.8
259.24142	8.2
277.25269	7.4
293.24744	16.1
305.24619	48.6
323.25681	28.7
431.06400	3.9
540.86676	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	521.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64112	3.8
52.47897	3.7
55.05508	38.0
57.07037	5.6
62.47533	4.1
67.05499	36.0
69.03414	11.1
69.07061	45.2
76.37531	4.9
79.05478	35.0
81.07048	100.0
83.04967	43.7
83.08615	8.6
85.02873	7.5
85.06516	4.2
91.05453	18.5
92.64904	5.6
93.07040	68.0
95.04931	8.9
95.08580	80.0
97.02856	6.5
97.06503	25.8
97.10154	10.5
105.07011	30.6
107.04901	4.6
107.08569	55.5
109.10156	44.7
111.08022	5.9
119.08566	26.3
121.10137	45.8
123.11659	24.6
133.10077	24.2
135.11670	11.2
137.05945	5.9
139.20482	5.1
143.75952	4.2
145.11453	4.5
147.04451	5.7
147.11635	22.1
149.13223	37.0
159.11613	6.2
163.03876	23.6
217.96300	4.6
234.51538	4.9
259.09537	9.1
277.25064	6.6
293.24631	7.8
305.24753	43.4
323.25806	33.3
505.17712	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	521.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81871	0.9
53.03926	5.1
55.01854	2.5
57.03434	8.5
57.03658	1.1
61.02903	4.9
63.71981	1.0
64.74025	1.1
65.03933	1.1
67.05489	5.2
68.99763	8.1
69.03416	13.8
69.07051	2.0
71.04963	2.8
73.02897	2.3
76.02206	2.0
79.05476	2.8
80.04989	1.4
81.03397	15.5
81.07040	9.4
83.04964	2.3
85.02892	47.4
85.06532	2.0
86.09692	2.7
87.00800	10.7
91.05463	5.8
93.07021	2.6
95.04950	7.2
95.08587	7.0
97.02870	9.8
99.04430	4.6
103.03898	1.9
105.01863	2.0
105.07010	5.1
107.04921	5.2
107.08565	2.7
109.02867	10.6
109.06485	2.3
111.08064	1.1
117.06992	2.2
119.04928	9.9
119.08531	2.3
121.02827	7.2
121.06439	1.7
123.04389	9.5
124.07583	12.1
125.02291	2.1
125.07895	1.3
127.03873	5.7
129.01805	2.4
131.04897	5.7
131.08488	1.7
133.10097	1.6
135.04356	4.6
137.02330	1.7
137.05937	5.8
139.03831	1.5
145.05022	1.9
145.06429	2.4
145.10094	1.5
147.03149	1.6
147.04387	37.8
149.02321	2.4
151.03934	4.5
153.01790	16.8
159.02881	1.9
159.11711	1.8
161.05943	1.7
163.03851	12.3
165.01825	16.7
171.02867	5.3
171.04352	1.4
177.01791	19.3
183.02826	16.5
187.03917	6.6
189.01871	2.2
189.03908	1.1
191.03337	26.2
191.04906	1.7
195.02861	100.0
201.05376	2.4
205.04959	5.5
207.02899	1.6
209.04431	6.1
213.03827	1.5
215.03354	13.0
219.02843	31.4
219.13701	1.1
227.10628	2.0
229.08549	23.6
233.04430	6.0
237.03911	2.5
237.14886	1.7
241.04875	1.7
241.08557	1.8
243.02841	7.4
255.10048	9.5
261.03897	37.2
269.04422	1.2
273.07578	18.0
273.11145	46.3
279.05035	5.7
283.06058	1.4
285.07401	2.1
287.05325	1.6
297.07504	16.3
313.07300	1.0
315.08539	19.0
339.08533	13.9
363.08478	4.7
365.04965	8.2
381.09598	13.3
383.05783	5.6
435.16266	7.2
467.09274	1.3
485.10333	1.9
519.51935	1.4
521.16595	9.0
521.33148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75465	0.7
53.03939	0.8
55.01862	1.9
55.05502	1.0
57.03435	7.7
61.02909	3.1
66.06271	0.7
67.05478	1.0
68.99764	7.0
69.03422	2.0
69.07057	1.0
72.83311	0.8
74.50858	0.8
79.05469	1.3
81.03407	6.0
81.07042	4.3
83.04957	1.8
85.02422	1.6
85.02896	29.9
85.06512	1.6
87.00816	4.9
89.03931	0.9
91.04964	0.9
91.05433	5.8
91.38315	0.8
93.07047	1.5
95.04951	5.0
95.08605	3.4
97.02869	3.6
103.03924	1.2
105.07019	1.6
107.04958	3.8
107.08588	1.8
109.02869	5.6
109.06505	1.1
109.10104	0.9
111.00774	1.4
115.05432	1.4
117.03351	0.9
119.04940	9.4
119.08543	1.2
121.02852	8.6
121.06493	1.7
121.10114	1.2
123.04388	7.9
125.02331	3.2
127.03864	1.5
129.01837	1.9
131.04913	3.5
131.08513	1.0
133.10141	1.7
135.04402	3.4
137.05959	4.6
141.05449	1.4
145.02846	2.0
145.10127	1.2
147.04395	23.1
149.02342	4.8
149.09648	1.0
151.03896	7.0
153.01813	3.8
158.15358	0.9
159.04482	1.2
159.11696	1.9
161.06010	4.0
163.03876	12.2
165.01816	17.5
166.02164	1.8
167.03448	1.4
171.02893	5.1
173.02386	0.9
175.07414	1.0
177.01804	19.8
177.05420	3.8
183.02861	13.9
185.03461	0.8
187.03821	6.0
189.03998	1.1
191.03387	26.5
193.04976	1.6
195.02870	100.0
197.00890	1.1
201.05409	6.2
203.03413	1.9
205.04858	6.1
207.02870	4.6
209.00847	0.9
209.04477	3.8
215.03377	13.3
217.01442	2.0
217.68832	0.8
219.02884	29.2
219.06474	3.5
233.04404	5.7
237.03891	3.3
237.18353	0.9
241.04933	1.5
243.02879	9.2
253.86070	0.8
261.03900	45.3
267.06503	1.0
268.06808	1.3
270.05072	1.1
273.07605	2.0
279.04919	4.4
283.05908	11.2
284.06357	14.7
285.06647	9.0
295.06104	0.9
296.06317	0.8
297.07608	21.2
310.07635	1.3
311.09109	0.8
313.06885	3.3
314.07385	4.5
315.08545	18.6
321.07422	1.1
323.08752	1.5
324.09320	1.7
333.14291	1.0
334.08002	0.9
335.09146	1.5
339.08630	17.5
349.07074	1.1
350.07358	1.8
351.07758	3.5
363.08673	7.8
365.04904	3.9
368.08325	1.7
369.08694	0.9
380.08191	1.4
381.09598	27.4
383.05984	1.4
467.09476	1.9
485.10321	3.4
503.11176	1.2
530.24573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96017	0.4
53.03920	0.6
54.15556	0.4
54.81711	0.5
54.81990	0.3
57.03431	0.4
67.01853	4.9
68.88349	0.4
68.99770	1.0
69.03402	1.7
81.03395	2.6
81.07014	0.4
85.02884	2.4
87.00807	1.9
91.05452	1.9
95.04932	0.5
97.02858	0.9
97.42541	0.4
99.04432	0.6
107.04947	2.0
109.02855	1.0
111.00754	0.5
119.04922	7.2
121.06503	1.8
123.04401	1.6
125.02369	0.5
127.03896	1.9
147.04387	23.9
151.22308	0.4
153.01810	100.0
157.35739	0.4
159.02832	0.7
171.01384	0.9
171.02849	22.2
179.03326	0.7
182.58887	0.5
189.05374	0.4
273.07520	64.9
298.01999	0.4
300.00458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80636	0.6
53.03944	1.3
55.01859	2.4
57.03436	1.0
61.02906	0.9
67.01852	3.4
67.92563	0.6
68.99772	1.4
69.03416	9.1
69.07050	0.8
71.04962	1.2
73.02896	1.5
74.82006	0.6
79.05461	0.9
81.03397	8.8
81.07008	1.0
85.02415	0.9
85.02892	15.5
87.00813	8.3
91.05466	1.0
93.07016	0.9
95.04927	0.8
95.08596	0.8
97.02866	6.3
99.04448	3.2
105.01849	3.0
105.06987	0.7
107.04976	1.0
109.02850	7.0
109.10130	0.7
117.01852	1.0
119.04911	5.3
123.04410	1.2
127.03889	9.2
130.69275	0.6
137.05960	0.9
145.04967	3.7
147.04391	14.6
153.01811	100.0
155.48889	0.6
159.02888	3.4
171.02861	8.9
179.03265	0.7
191.03419	0.7
195.02879	1.3
231.04814	1.4
250.17686	0.7
273.07538	34.6
339.08304	0.8
375.08389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43266	0.6
53.03930	3.6
53.15612	0.7
55.01863	3.3
55.05505	1.5
57.03423	3.6
61.02934	2.4
61.33481	0.8
67.01847	3.3
67.05484	3.2
68.99786	1.3
69.03420	10.3
69.07049	4.0
71.04980	1.4
71.34901	0.7
72.08123	0.7
73.02904	1.4
79.05456	1.3
81.03403	11.2
81.07041	4.3
83.04966	3.2
83.44930	0.7
85.02900	17.4
85.06490	0.7
85.24763	0.7
86.09700	1.4
87.00809	9.1
91.05466	3.8
93.07015	3.8
95.04948	1.4
95.08584	4.8
97.02876	6.4
97.06515	3.1
99.04427	3.0
105.01846	3.6
105.07029	4.1
107.08587	3.4
109.02890	6.7
109.10143	1.0
109.75954	0.9
117.01873	1.3
119.04921	5.1
119.08581	1.3
120.08086	0.9
121.06456	1.3
121.10151	1.2
123.04431	0.9
123.07960	1.1
127.03897	10.6
129.01801	1.2
131.04897	0.8
131.08540	1.6
135.04381	0.9
135.11679	1.3
137.05951	3.4
145.04941	3.5
145.10031	1.3
147.04410	17.9
147.79379	0.8
153.01816	100.0
159.02867	4.9
159.11678	1.5
160.34309	0.8
161.05882	0.8
161.13235	0.8
163.03899	3.0
163.11136	0.9
171.02849	12.4
179.03430	0.9
195.02844	1.6
204.64122	0.9
217.15749	0.9
234.49550	0.9
236.17157	1.0
259.09784	1.0
273.07520	40.9
278.19171	0.9
293.36237	0.9
308.02844	0.8
315.08206	1.2
425.26865	1.0
427.39478	0.8
455.88705	0.9
520.19971	1.2
521.20068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
56.05014	0.8
57.03411	0.5
58.06590	1.8
59.07376	0.4
60.08152	21.2
67.05489	4.3
69.07050	1.5
71.07358	8.0
72.08131	0.3
79.05476	1.4
81.07037	4.8
83.08617	0.7
86.09689	65.4
86.94285	0.3
91.05462	0.4
92.08587	0.6
93.07020	1.4
95.08591	2.9
95.09148	0.3
98.98438	4.7
104.10725	89.5
105.07038	0.5
107.08601	0.5
109.10120	0.5
117.61877	0.4
121.10210	0.4
124.99982	39.8
133.10124	0.3
143.00995	0.4
163.01564	0.7
184.07306	100.0
185.07643	0.3
236.15050	0.4
258.10941	0.6
363.12228	0.3
489.16107	0.4
493.55219	0.4
502.33026	5.1
520.33905	34.0
521.34265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03937	6.5
55.01863	3.7
55.05500	13.2
55.05718	1.5
55.80916	1.3
57.03419	11.5
57.03665	1.6
57.07067	2.5
61.02917	2.7
65.03937	2.2
67.05495	33.6
67.17789	1.6
68.99789	2.1
69.03419	30.9
69.07057	21.4
70.68948	1.5
71.04977	15.7
73.02873	2.6
79.05482	26.0
81.03403	22.5
81.07037	44.0
83.04954	8.7
83.08590	6.8
85.02894	42.8
85.06522	3.0
87.00823	17.6
89.03892	2.5
91.04011	2.5
91.05460	25.3
92.09395	3.7
93.07022	35.7
95.04948	100.0
95.08583	35.7
96.05289	11.1
96.08913	2.3
97.02886	14.7
97.06529	12.6
97.10109	4.1
99.04433	8.6
99.08064	4.4
102.74429	1.7
105.01870	9.1
105.07021	30.5
107.04950	2.9
107.08578	31.5
109.02861	21.1
109.06512	19.2
109.10147	20.7
111.04449	2.3
111.08032	1.9
115.05444	2.7
117.01826	2.9
117.06978	10.2
119.04888	2.3
119.08548	22.3
121.06477	3.4
121.10102	18.6
123.08041	20.0
123.11681	12.1
125.09600	3.3
127.03902	20.3
127.07542	1.8
129.06973	3.4
131.08540	14.5
133.10098	17.9
134.10524	2.1
135.04323	2.5
135.08037	15.0
135.11646	8.4
137.05925	2.5
137.09612	3.6
139.11143	2.1
145.02794	2.0
145.04936	3.5
145.10120	9.9
146.10527	1.7
147.08044	8.7
147.11662	9.8
149.09566	11.9
149.13255	2.2
151.07442	2.1
155.08466	2.3
157.10170	2.6
159.02881	8.7
159.08092	2.3
159.11655	19.0
161.13110	2.4
163.03876	16.2
163.11124	7.4
164.04214	3.7
165.09056	2.2
167.10721	2.2
167.14285	3.3
173.13304	3.7
175.11174	1.9
183.11707	3.1
187.14732	2.1
191.14313	2.4
191.44588	2.1
201.12764	7.5
201.16275	2.0
215.06883	1.8
219.11841	2.8
219.13701	13.9
219.17398	6.9
237.14772	12.3
237.86406	1.9
255.15857	3.0
259.09543	2.8
303.23230	3.8
304.23492	3.9
305.24722	3.0
308.49884	2.1
309.24554	2.0
321.24338	2.8
322.24335	3.3
339.25424	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	519.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
57.07064	1.8
67.05503	1.2
71.08606	0.9
81.40963	0.7
85.10156	1.0
96.38500	0.7
164.83983	0.8
191.25996	0.8
207.09911	3.7
263.12451	1.2
313.27545	3.0
477.32803	0.9
478.33429	1.4
488.18341	1.0
519.36481	100.0
520.36615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	2.5
57.03420	2.2
61.02906	1.9
69.03410	6.2
70.94229	0.5
73.02895	0.9
81.03394	3.0
85.02892	26.0
91.03897	0.6
91.05461	2.8
95.01330	1.0
95.04950	2.9
97.02858	5.3
105.06992	0.6
107.04948	4.4
109.02859	2.1
115.05443	0.6
116.57339	0.4
119.04923	15.0
123.04407	36.7
127.03891	3.1
131.04878	2.6
133.02843	3.9
133.06506	4.7
135.04391	1.0
141.01765	0.8
145.04939	1.0
147.04391	100.0
149.05930	0.8
159.04372	0.9
161.02304	3.5
161.05984	6.8
163.03938	1.1
165.05443	13.9
171.04398	1.0
173.05928	0.8
175.03905	0.9
177.05470	0.7
179.03323	2.0
187.03859	4.3
189.05441	17.1
197.11058	0.5
199.03876	4.9
217.04929	20.9
253.51239	0.5
259.05966	0.7
263.05441	26.4
286.00211	0.5
305.06546	2.1
323.07571	46.5
341.08701	2.1
342.52420	0.5
366.12698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00362	0.3
53.03939	3.0
55.01865	4.1
57.03204	0.4
57.03430	6.3
61.02910	2.4
61.43238	0.4
64.33931	0.3
64.46165	0.3
65.63892	0.3
68.99778	0.5
69.03418	15.4
70.85253	0.4
71.04954	0.9
73.02908	2.8
74.43409	0.4
75.04456	0.9
75.08401	0.4
81.03403	14.5
85.02892	26.9
87.00813	12.2
91.03928	0.8
91.05460	0.8
92.09204	0.6
93.07030	0.5
97.02873	11.8
99.04427	5.5
102.04685	0.5
103.03957	0.6
103.05450	31.7
105.01862	6.4
105.07005	3.0
109.02858	9.4
110.03646	1.6
111.04437	0.7
115.05412	0.6
117.01849	2.2
119.04941	2.9
121.06499	0.9
123.04434	3.2
123.08013	0.5
124.05182	0.5
127.03895	16.0
129.01788	1.6
129.06985	0.5
130.04105	2.4
131.04909	100.0
133.06438	3.7
137.02327	0.5
137.05956	4.8
138.06746	3.9
141.07039	0.4
145.04895	2.9
145.06482	0.8
147.04372	1.6
148.05177	28.6
151.07544	2.0
157.06500	0.8
159.02875	5.8
159.08095	0.5
160.05197	1.7
161.05945	7.3
162.06773	3.1
163.03876	6.7
163.07518	47.5
166.06232	4.9
175.07524	2.4
179.28494	0.4
181.08572	3.4
185.51437	0.5
187.07530	1.4
189.09015	0.6
201.09062	2.3
204.07822	0.5
205.08646	0.9
212.97855	0.4
213.03821	0.5
219.10150	2.6
231.04944	2.6
237.11171	24.7
255.12288	3.6
325.09207	0.5
485.16248	2.5
526.36835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
55.05492	10.9
57.03436	2.1
57.07088	3.0
65.03929	3.7
67.05483	21.4
68.02991	1.6
68.99783	2.1
69.03413	23.4
69.07052	15.9
71.04980	2.5
73.11544	1.6
79.05484	15.8
81.03405	6.4
81.07047	35.3
83.04969	9.9
83.08624	6.3
85.02888	12.5
91.05460	6.5
93.07026	18.7
95.04951	100.0
95.08580	19.2
97.02858	2.6
97.06516	16.0
97.10143	9.0
99.04417	2.2
99.08073	2.1
105.07018	11.3
107.04934	2.5
107.08591	17.0
109.02892	2.3
109.06512	6.1
109.10138	17.5
111.04436	6.0
111.08052	1.8
117.03368	3.7
119.08553	11.8
121.06562	1.5
121.10122	9.7
123.08047	3.3
123.11665	14.4
125.09576	2.0
131.08563	6.8
133.10117	6.8
135.04424	17.1
135.07993	3.3
135.11685	8.9
137.06012	3.3
139.03857	1.7
141.14754	1.6
145.02852	8.6
145.10114	6.5
147.04454	1.7
147.11684	3.6
149.09599	2.4
149.13275	1.8
151.11169	2.9
157.10133	2.7
159.08060	1.9
159.11694	3.5
163.03871	61.5
163.05186	3.2
173.02286	2.9
175.14886	1.7
187.13264	3.1
204.82896	1.9
205.04965	15.1
215.06985	6.5
255.06610	2.4
259.09656	12.1
271.06119	1.8
281.04483	1.6
283.05902	3.0
291.23239	2.1
293.25000	2.0
303.23080	12.7
309.23895	4.3
321.24295	13.2
339.25250	13.8
415.06415	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	519.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94968	0.5
54.10017	0.5
55.01863	0.8
55.05500	1.0
57.03415	0.6
59.84336	0.5
60.55614	0.5
67.05480	2.7
68.99778	8.5
69.03424	8.2
69.07053	2.6
69.44028	0.6
79.05482	4.0
81.03400	1.0
81.07031	5.9
83.04955	1.3
85.02888	2.7
85.06523	0.9
87.00818	0.7
89.03893	8.7
91.05465	3.5
93.07017	3.5
95.04941	2.8
95.08595	3.8
97.06522	8.9
103.05407	1.6
105.07021	3.3
107.04949	3.7
107.08594	2.8
109.10176	4.5
111.04440	1.1
115.05459	0.8
117.03354	12.2
119.04933	0.9
119.08569	3.7
121.10153	2.5
123.04452	1.1
127.03901	0.8
131.04918	4.3
131.08487	0.6
133.10080	2.8
135.04402	27.8
135.11617	1.3
137.05980	3.4
139.02803	0.9
139.03889	26.3
139.11229	0.6
140.04236	1.5
141.78687	0.6
145.02847	18.5
145.10100	0.7
147.04393	1.5
147.11659	1.3
159.04416	1.6
159.11652	2.4
161.02335	1.1
163.03877	100.0
164.04137	0.9
173.02333	2.9
173.05962	1.0
179.03502	0.8
180.55060	0.7
183.31345	0.7
187.03770	0.9
187.07506	0.6
195.99684	0.6
205.04941	25.4
215.07045	4.3
225.38715	0.6
253.04933	2.4
255.06465	9.9
259.09686	7.0
272.02670	2.7
273.02826	4.0
274.03201	1.5
281.04462	4.0
283.05905	7.3
303.23248	1.3
393.08984	0.8
394.08774	1.0
516.76270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03445	0.6
61.02910	1.3
67.05479	0.7
68.99791	1.7
69.03417	5.5
81.03401	2.8
81.07037	1.4
85.02887	7.8
87.00815	3.4
90.58801	0.8
91.05453	1.8
94.04152	0.8
95.08474	0.8
97.02872	1.5
109.02873	3.2
111.04427	1.1
115.05461	0.7
119.04934	5.2
121.02848	18.1
122.03686	0.9
127.03906	0.8
129.01839	1.4
131.04907	0.8
131.08566	0.8
137.02414	0.8
137.05962	33.7
141.01775	1.3
143.04927	1.5
145.02852	4.8
147.04395	4.2
149.02313	1.5
151.03893	5.7
157.13217	0.8
159.04445	0.9
163.03882	6.6
165.01813	10.4
167.03354	3.1
175.07594	0.8
176.29739	0.9
177.01791	3.0
177.05472	0.9
183.02885	8.6
187.03857	2.9
189.09004	1.1
191.03381	2.6
195.02878	3.2
205.04831	2.3
213.05588	1.4
215.03500	0.9
219.09966	1.0
225.05423	0.8
229.04913	1.3
239.06995	1.5
243.06590	1.7
255.06499	4.9
256.07205	5.1
267.06442	8.9
268.07663	0.8
270.05157	2.9
271.05917	6.4
279.06500	1.8
281.08066	7.5
283.05963	85.6
284.06775	32.0
285.07327	1.5
295.06012	29.4
295.09351	3.1
297.07520	11.8
298.04520	1.0
305.08099	5.0
307.06012	1.6
308.06784	4.5
309.07437	19.0
309.10715	1.2
311.05591	3.3
313.07016	100.0
321.07666	1.0
323.05533	1.8
323.09039	20.4
325.07101	3.6
327.12021	0.9
333.07541	4.4
337.06989	23.0
343.08081	3.1
351.08710	4.5
357.13214	4.7
361.06958	7.9
367.07864	0.9
367.41675	0.9
379.08078	22.2
397.09091	4.2
415.10263	1.4
432.14093	1.0
433.11249	1.0
439.10132	4.5
443.65781	0.8
457.10974	1.5
475.12036	1.3
483.09216	13.9
501.10162	11.6
519.11499	15.3
519.18671	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	519.1134
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
53.03917	0.3
55.01842	1.3
57.03399	1.2
61.02882	1.4
65.03904	0.6
67.01838	0.3
68.99765	3.2
69.03391	0.6
72.87937	0.2
73.02871	0.2
81.03406	2.3
85.02435	0.4
85.02898	8.1
85.26379	0.2
86.88528	0.2
87.00822	2.7
90.98438	0.2
91.05449	2.0
91.11147	0.3
91.28826	0.3
95.04884	0.4
99.04375	0.3
103.03887	0.6
103.05441	0.3
105.01809	0.3
105.03342	1.4
107.04910	0.4
109.02880	2.9
118.23578	0.3
119.04913	5.4
121.02846	12.4
122.50210	0.3
127.03973	0.3
127.67097	0.3
129.01788	1.6
131.04865	1.2
133.02846	0.4
135.04358	0.4
137.02309	0.3
141.01805	2.4
145.02820	5.3
147.04407	0.6
149.02330	3.3
151.03853	0.5
153.01799	0.7
154.67302	0.3
159.04309	0.5
163.03859	5.2
165.01802	16.4
165.05525	0.3
167.03368	7.5
177.01846	2.5
177.05412	1.6
179.03325	0.5
181.04970	2.0
183.02866	7.0
184.83798	0.3
187.03848	5.1
189.01749	1.2
191.03384	2.3
195.02847	4.3
197.00766	1.0
205.04907	2.4
209.00760	0.3
209.04349	0.6
211.07559	0.3
215.03369	2.3
229.04909	2.0
233.04353	1.6
239.07057	1.9
242.05673	1.7
243.02930	1.4
255.06496	1.4
256.07263	1.9
261.03857	0.6
267.06464	16.4
269.04486	0.6
270.05191	6.8
271.05963	5.6
273.03745	0.4
277.08478	0.6
279.06485	4.0
281.04794	0.6
281.08026	13.0
283.05957	85.4
284.06720	15.8
285.07401	1.1
291.06506	0.6
294.05176	1.3
295.05960	21.9
295.09570	6.9
297.03882	1.9
297.07523	5.7
305.08011	8.7
307.05908	5.6
308.06760	7.6
309.03937	3.0
309.07480	37.8
311.05374	1.8
313.07010	100.0
314.07370	0.6
319.05905	1.4
321.07593	1.0
323.05661	1.8
323.09073	34.5
325.07043	1.2
333.03583	0.6
333.07513	15.0
335.05447	1.5
337.07004	39.4
338.07254	0.3
343.08221	0.3
347.08713	0.4
349.06873	1.1
351.08621	5.9
361.06967	13.6
367.08139	1.3
379.08047	46.2
397.09103	3.5
415.10068	2.6
421.09201	0.6
433.11615	0.4
439.10254	2.7
465.07950	1.9
483.09143	25.4
501.10223	11.5
519.11346	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	519.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
67.05492	1.4
69.03416	13.3
69.07052	1.6
79.05470	1.9
81.03394	3.3
81.07046	3.2
83.04971	2.0
85.02895	12.0
86.09707	3.4
89.03908	1.2
91.05450	1.9
93.07002	2.4
95.04939	2.8
95.08583	1.7
97.02886	1.9
105.07005	8.1
107.08568	2.7
109.02863	1.4
109.10162	1.9
115.05421	1.7
117.06972	1.7
119.04917	7.1
119.08533	2.3
120.22646	1.3
121.02851	18.5
121.10130	2.1
123.04436	1.6
124.07575	24.0
131.04916	2.8
131.08650	1.4
133.06436	3.2
137.05975	8.0
141.01849	1.6
141.06964	2.0
145.02803	2.1
145.06517	1.6
145.10144	2.7
147.11671	2.0
157.10077	1.5
159.08018	2.1
161.05920	6.1
163.03915	9.0
163.07449	1.9
165.01816	14.9
167.03358	3.4
169.06390	1.4
183.02887	8.8
186.34624	1.6
187.03955	1.8
187.07442	3.1
188.16014	1.5
193.12276	2.1
195.02808	1.7
197.05995	1.6
213.05315	1.9
215.07025	2.5
217.08551	1.7
227.06915	1.8
243.02835	1.7
243.06581	2.2
253.14253	2.4
255.06491	8.0
256.07285	8.4
259.09708	2.9
261.03815	2.2
263.06769	2.0
267.06488	3.3
269.04388	2.0
270.05209	1.8
271.05939	8.8
279.06693	2.1
281.08029	2.4
283.05963	84.7
284.06796	33.5
295.05966	34.3
297.07642	15.8
297.10648	2.4
308.06836	1.7
309.07471	7.9
311.05313	2.5
313.07004	100.0
323.09119	12.9
325.06946	8.4
327.08807	1.8
333.07401	1.7
337.07129	14.5
343.08047	2.6
349.06949	6.1
351.08737	2.0
361.06888	6.0
367.08044	7.2
379.08026	13.8
397.09106	6.0
439.10156	3.2
483.08978	2.4
501.10147	11.4
519.11206	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.4
57.03423	24.4
57.07077	4.6
59.05013	3.3
67.05497	93.9
69.07055	5.1
75.63463	3.3
76.61331	3.2
81.07045	20.4
81.55544	3.5
83.08620	6.9
87.67802	3.0
91.05466	4.8
92.09310	4.5
93.44950	4.1
95.08595	7.2
105.07011	4.7
109.10149	100.0
115.74847	3.4
119.08535	6.1
134.68501	4.4
173.11702	30.4
229.14281	68.7
477.33554	6.2
483.36838	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.7
55.05506	64.2
57.03439	32.7
57.07071	54.8
63.68656	3.5
64.91512	3.2
67.05504	33.9
69.03427	4.2
69.07059	22.6
70.32895	3.7
71.08640	29.2
71.27728	3.3
72.53016	3.4
79.05456	13.2
81.07041	35.7
83.08610	58.2
85.10184	16.7
92.08704	7.8
93.07015	7.6
95.08580	33.8
97.10152	90.0
107.08595	26.7
108.50585	3.7
109.10139	8.6
110.24383	3.5
114.37890	3.5
125.09602	66.4
135.08067	4.2
159.06511	41.5
189.11159	47.2
205.75677	3.6
209.06606	4.2
214.46883	4.6
227.12784	73.2
245.13786	58.7
313.27362	100.0
381.29703	16.0
477.33273	16.6
483.36700	82.7
532.15869	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	519.1131
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05507	0.2
67.01846	0.5
67.05510	0.1
68.99774	0.4
69.03407	0.5
71.04993	0.1
71.06027	0.1
79.05473	0.1
81.03394	0.2
81.07036	0.2
85.02876	0.4
89.03828	0.1
91.05457	0.6
92.09309	0.1
93.07039	0.1
97.02889	0.2
97.06506	0.2
97.10192	0.1
105.06976	0.2
107.08573	0.1
109.10071	0.1
118.40577	0.1
119.04917	1.8
119.08582	0.1
121.02844	0.7
121.10129	0.1
127.03844	0.1
129.01819	0.1
135.04388	0.1
137.05940	0.5
145.02835	0.7
153.01813	4.6
163.03897	0.9
171.02829	0.7
203.07013	0.2
215.06964	0.1
217.15860	0.2
225.05435	0.4
229.04875	0.4
243.06552	0.2
247.05995	0.2
259.09573	0.4
271.05963	100.0
272.06360	0.7
313.06802	0.1
366.56451	0.1
433.11346	1.3
519.11243	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54726	0.4
57.03426	0.4
60.08152	7.9
67.05492	1.5
71.07373	3.8
72.74661	0.4
81.07032	0.5
86.09692	43.7
94.54411	0.4
98.98467	3.8
104.10721	4.3
111.90899	0.4
117.91964	0.4
124.99985	30.8
144.75667	0.4
184.07312	100.0
232.53784	0.5
241.62222	0.5
500.30856	0.7
518.32495	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05025	0.7
57.03425	0.7
58.06588	1.3
60.08154	22.9
64.40047	0.3
67.05498	4.3
71.07361	10.6
79.05469	2.8
81.07054	3.3
82.76019	0.3
83.08642	0.4
86.09692	76.0
91.05460	1.6
93.07038	2.9
95.08582	2.6
98.98452	5.8
104.10729	99.0
105.07011	0.8
107.08599	1.4
108.14265	0.4
109.10147	0.7
119.08571	0.5
121.10106	0.4
124.99984	43.9
132.03783	0.4
135.11678	0.4
143.01054	0.6
150.40251	0.3
163.01552	0.7
184.07312	100.0
258.11041	0.6
407.25995	0.4
500.31235	5.9
518.32349	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	518.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	19.6
55.01854	9.5
55.05493	28.4
57.03426	7.7
57.07056	6.2
61.02903	5.9
67.05482	31.1
69.03429	58.6
69.07047	28.7
71.04967	17.4
73.02888	8.1
79.05466	22.7
81.03406	47.9
81.07043	56.5
83.04940	5.3
85.02896	100.0
87.00818	45.1
91.05441	29.6
93.07031	61.3
95.04954	58.5
95.08575	31.4
97.02882	62.0
97.06509	9.9
97.10178	5.5
99.04434	20.0
105.01858	33.4
105.07015	78.5
107.08581	66.0
108.34445	5.0
109.02866	46.4
109.06501	6.6
109.10130	37.8
110.10470	4.5
111.04450	5.9
117.06998	7.4
119.08557	69.1
121.10116	31.3
123.11703	10.2
127.03908	56.4
128.06233	5.8
131.08525	23.1
133.10126	64.7
135.08047	7.4
135.11719	9.6
143.08534	39.7
145.04961	26.6
145.10115	26.9
147.11670	59.9
157.10135	27.5
159.02861	17.3
159.11659	7.8
161.09564	15.1
163.03900	23.6
175.14893	5.9
187.14748	5.3
189.16335	20.3
199.14786	31.6
205.15843	67.8
217.15933	32.8
231.05026	8.6
235.16884	84.0
253.17848	5.2
259.09473	5.8
350.94736	5.3
440.08423	5.5
494.40021	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	518.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01853	2.8
55.05504	42.0
57.03408	2.2
57.07069	5.2
59.04978	2.5
61.02904	1.2
67.05496	1.8
69.03413	10.0
69.07021	2.0
71.04953	1.1
73.02904	0.7
77.19443	0.5
79.05486	4.7
81.03397	10.2
81.07037	9.2
83.04957	9.7
83.08597	0.5
85.02892	14.1
85.06546	0.6
87.00817	6.2
90.77740	0.4
91.05439	4.9
93.07036	5.3
95.04953	6.7
95.08580	3.5
97.02876	5.2
97.06512	5.6
97.10110	0.6
99.04444	3.8
105.01849	3.7
105.07020	9.8
105.32534	0.4
107.04907	0.6
107.08588	10.6
109.02859	8.2
109.06502	4.8
109.10132	2.8
115.03886	0.6
117.01820	0.7
117.07010	0.9
119.04874	0.8
119.08560	12.2
121.06506	0.9
121.10123	3.7
123.08051	2.4
123.11693	0.8
125.05971	16.9
127.03892	11.6
128.06203	0.7
129.01791	0.8
129.07004	1.2
131.08527	4.0
133.10101	13.6
135.08025	12.9
135.11674	0.7
137.05966	3.7
137.09596	3.1
141.06989	0.6
142.07782	0.7
143.08542	4.7
145.04941	3.0
145.10164	3.5
147.08040	4.6
147.11635	3.6
149.09595	13.9
151.11157	2.8
153.01740	0.7
157.10143	3.9
158.10802	0.7
159.02875	4.6
159.07993	0.6
159.11676	5.2
161.09586	17.9
161.13200	0.6
161.24245	0.6
162.10353	6.2
163.03856	8.6
163.11153	5.4
171.11668	2.6
173.13228	1.2
175.11145	4.3
175.14809	2.9
179.10632	42.1
181.12039	0.5
184.12431	1.0
189.16327	2.8
199.14769	3.1
202.13487	1.0
217.15846	55.8
231.05013	0.7
235.16885	100.0
271.05948	6.0
376.97253	0.5
483.22165	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	518.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01860	1.1
55.05500	6.1
58.99572	12.1
59.04985	1.8
59.94886	0.6
65.74442	0.8
67.05495	10.3
69.03413	0.9
69.07041	1.7
71.04947	2.6
76.02204	100.0
76.03959	4.6
79.05467	15.1
81.03397	1.3
81.07051	10.2
82.57890	0.7
83.04955	1.1
83.06072	1.8
84.04492	17.0
85.02869	3.4
85.06459	0.8
86.99027	4.2
87.49699	0.8
88.02198	0.8
91.05460	27.8
92.09302	1.4
93.07021	16.1
95.04912	3.4
95.08550	1.0
95.46172	0.8
97.02867	1.4
97.06486	1.4
99.04401	0.9
99.34260	0.8
103.05458	1.4
105.07009	40.8
107.08559	8.4
107.97490	0.7
109.06470	1.1
111.04414	1.8
116.00879	1.3
116.01653	27.3
116.06155	1.0
117.06977	3.1
118.54354	0.7
119.08552	18.6
121.10117	14.2
128.06218	0.9
129.07001	10.2
130.04967	10.8
131.08539	33.8
133.10106	15.3
135.11627	4.7
142.03203	12.2
142.07755	5.1
143.08595	1.1
144.01128	15.4
145.02835	1.2
145.04953	0.7
145.10060	7.3
147.04375	1.0
147.08063	1.0
147.11684	8.0
149.09579	3.3
157.10095	6.2
161.05882	1.1
162.02165	40.6
163.03864	5.6
163.11169	4.4
170.02658	3.7
173.13200	1.1
175.11154	8.9
177.05428	1.7
179.04803	51.3
181.12195	1.2
183.12920	0.8
193.12181	4.8
211.13383	0.7
215.04819	0.9
217.15794	3.1
218.58316	0.9
233.04140	0.6
233.05930	9.5
235.16888	0.9
245.05833	0.9
286.14658	5.5
291.06351	1.3
308.09048	35.5
389.17249	12.0
443.18277	1.2
501.57874	0.8
518.21301	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	518.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
53.25361	0.5
54.61598	0.5
55.01859	1.4
56.01725	0.5
57.03412	3.7
61.02904	4.5
68.62659	0.6
69.03419	8.7
69.40350	0.6
73.02872	0.7
81.03381	4.0
85.02890	26.9
86.82855	0.7
91.03934	0.7
96.72878	0.7
97.02882	10.3
99.04413	1.6
109.02859	1.5
115.05460	0.6
123.04388	1.4
127.03897	4.7
131.04884	1.4
135.04370	1.2
139.03816	0.7
145.04932	4.6
147.04407	9.9
149.02322	5.8
149.05931	1.1
159.04364	1.5
161.05891	0.8
163.03879	13.3
175.03873	2.8
177.01817	6.9
177.05411	3.7
180.08609	1.2
187.03790	1.2
189.05412	0.8
194.01370	0.7
203.03360	100.0
205.04919	8.3
215.03369	8.2
217.04826	0.9
219.02826	1.0
229.04895	3.4
231.02834	14.0
232.83478	0.7
233.04338	6.1
261.03900	7.4
279.04865	14.9
291.04929	15.1
303.05075	1.2
321.05957	7.0
322.83105	0.7
339.07043	29.5
342.87717	0.7
356.09686	1.5
364.68878	0.8
518.14960	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	518.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59700	0.6
53.03950	0.9
54.00461	0.6
55.01876	1.0
56.96547	1.0
57.03421	1.3
59.04222	0.6
61.02917	3.0
68.01610	0.6
69.03413	8.3
71.04993	0.8
78.18749	0.7
81.03404	4.0
85.02892	21.7
91.05438	0.8
97.02882	9.1
98.97588	2.6
109.02878	2.9
111.04410	1.2
119.04937	3.2
123.04422	4.4
127.03896	4.0
131.04906	1.1
135.04448	2.9
137.02377	0.8
137.05974	1.3
139.03876	1.2
145.02841	1.2
145.04985	1.2
147.04390	25.5
149.02368	6.1
149.05971	1.6
161.05981	1.2
163.03893	13.0
173.05957	0.8
175.03851	3.7
177.01846	5.3
177.05447	3.3
185.05939	1.2
187.03864	3.6
189.03946	0.7
189.05438	3.1
197.06017	0.7
203.03371	100.0
204.03897	0.8
205.04913	7.1
213.05464	1.2
215.03409	9.5
219.08115	0.8
229.04942	2.6
231.02875	13.7
233.04428	6.5
237.02792	0.9
259.05960	1.1
261.03885	8.6
279.04916	13.9
289.08484	0.9
291.04935	13.1
317.08014	3.3
321.06073	6.1
339.07068	32.7
355.46136	0.7
357.08008	1.1
363.08868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01864	12.3
55.05508	62.6
57.03438	3.3
67.05499	73.8
68.96496	2.7
69.07061	27.8
79.05478	87.5
80.12656	2.8
81.03381	21.2
81.07044	81.0
83.04967	16.8
83.08614	59.1
85.06506	4.7
91.05470	78.2
93.07026	81.7
95.04950	78.2
95.08589	43.8
97.06525	6.8
97.10201	4.8
105.07021	79.2
107.04926	29.1
107.08591	37.8
109.06524	18.5
109.10145	15.0
111.08087	3.1
111.46775	2.8
115.05424	3.2
117.06985	30.3
119.08569	51.8
121.06499	16.7
121.10136	25.4
122.14460	2.9
123.08062	11.9
125.09573	4.1
129.06993	20.0
131.08569	28.7
133.10106	34.0
133.82002	3.4
135.08049	11.5
135.11658	6.9
137.09653	5.6
141.07047	3.8
143.08575	12.6
145.06516	4.3
145.10095	41.6
147.08092	5.4
147.11694	29.9
149.09592	31.2
151.11232	4.1
155.08569	6.7
157.10089	4.9
159.11690	12.9
161.09520	3.5
161.13266	6.7
163.11145	52.9
164.37405	3.1
165.12799	6.8
171.11713	16.1
173.09692	4.6
173.13361	4.1
186.34932	3.1
189.12701	4.2
207.13832	17.3
223.13264	23.7
229.19400	3.6
239.17940	15.4
257.19086	13.9
275.20020	100.0
293.21094	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	516.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86128	4.1
54.81579	5.1
55.05510	9.2
57.03421	24.0
57.07069	55.7
63.45525	4.5
67.05504	100.0
69.07047	8.3
70.44427	5.2
71.08609	32.7
74.85506	4.6
75.48581	5.3
81.07039	29.3
83.08599	10.5
85.10150	20.7
91.05553	5.5
93.07052	5.3
95.08584	22.8
104.26661	6.1
109.10134	92.5
146.01057	6.0
149.42889	5.6
173.11716	22.8
204.21497	5.1
217.90889	5.2
229.14275	50.7
252.53470	5.5
275.47702	5.8
311.93768	5.2
314.82941	5.6
327.28827	70.1
382.99432	6.6
413.92844	6.4
481.38788	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	516.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64943	0.4
74.09702	100.0
103.68449	0.5
109.65338	0.5
156.18997	0.4
164.94194	0.5
198.66789	0.5
221.54417	0.4
229.40195	0.4
282.33099	0.6
326.40012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46872	0.5
55.01859	0.4
55.05513	0.7
57.03423	0.5
64.58983	0.4
65.03923	0.7
67.05491	1.8
68.99780	3.6
69.03401	1.0
69.07048	0.8
70.71767	0.4
71.04991	0.5
79.05482	1.8
81.03396	1.7
81.07028	2.7
83.10454	0.4
83.25508	0.4
85.02901	0.7
91.05463	15.2
93.07001	1.0
95.04956	0.8
95.08582	1.0
97.02879	0.8
97.06521	3.8
99.04427	0.5
103.05458	0.8
105.07030	0.7
107.08562	1.0
109.02884	0.5
109.06486	1.8
109.10143	0.7
111.00787	2.6
119.04924	32.1
119.08562	0.9
121.10097	0.6
123.04395	2.5
126.64734	0.5
127.03890	0.6
131.04904	0.8
133.10153	0.7
135.04396	0.7
137.05925	3.3
143.08363	0.5
145.02811	0.6
145.10121	1.6
147.04393	100.0
148.04759	2.5
149.05960	0.8
153.05411	0.6
161.06006	0.6
163.03877	3.3
171.04414	0.7
173.02321	0.7
173.05898	3.1
175.03896	6.1
176.04320	0.6
177.05449	1.6
185.05858	0.7
187.03748	4.1
193.04890	0.6
195.07997	0.7
197.05870	0.7
199.03908	2.3
201.05417	1.1
203.03362	29.1
204.03816	0.6
211.07530	0.7
213.05363	3.2
213.09271	0.6
215.03392	5.4
215.07028	0.8
217.03149	0.5
217.04967	4.5
227.03423	4.3
228.03673	0.8
229.01318	2.3
229.03583	0.5
231.02859	0.5
233.15276	0.5
235.07436	0.7
241.04898	0.8
241.08556	1.7
243.02843	7.8
244.03340	0.5
245.04411	2.7
247.02396	1.7
257.04340	0.7
257.08023	0.7
259.09592	1.8
261.03833	1.1
269.04388	2.2
271.02322	63.2
272.02655	20.4
273.02890	8.7
281.07983	0.6
282.08173	0.5
287.05444	2.4
289.00369	1.0
289.03369	15.1
290.03745	2.2
291.03961	0.9
297.04120	0.5
311.05573	1.0
313.03360	3.7
337.14166	0.5
349.07474	0.6
355.15421	0.7
379.07596	0.6
391.08084	7.9
392.08435	7.6
393.08646	7.3
395.07785	0.5
396.07736	3.8
397.04535	1.5
397.09436	14.6
415.06476	17.6
466.26642	0.5
517.14703	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51701	0.2
53.03933	0.9
55.01853	1.4
55.05493	2.6
57.03421	0.5
61.02903	0.3
65.03945	0.3
69.03417	3.5
71.22745	0.2
73.02898	0.4
74.63902	0.3
79.05463	2.0
81.03388	1.4
81.07010	0.5
83.04961	1.4
85.02883	4.3
85.40293	0.2
87.00802	1.7
87.04465	0.9
91.05460	3.3
93.07023	4.8
95.04946	1.5
95.08569	0.4
97.02891	1.7
99.04429	0.6
105.01841	1.0
105.07008	3.2
107.04932	0.3
107.08585	7.1
109.02859	1.6
109.06488	0.4
109.10104	0.2
116.06236	0.4
119.08566	1.3
121.06451	0.9
121.10123	4.1
121.80054	0.2
123.08039	0.8
127.03917	2.5
129.01761	0.3
129.06979	0.9
131.08539	4.7
132.98682	0.2
133.10114	1.6
134.65318	0.3
135.08046	1.5
137.05934	0.3
137.09612	0.3
145.04918	0.5
149.09598	100.0
159.02934	0.4
159.08006	0.4
161.09579	4.9
175.11134	1.3
177.09081	2.0
179.10637	4.8
213.04047	0.3
231.04897	0.4
233.15323	48.1
251.09131	0.3
339.24100	0.2
375.92203	0.3
388.31216	0.2
481.20285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.05264	1.9
55.05507	22.9
56.51717	1.5
57.03421	6.9
57.07063	2.5
61.02913	3.2
63.04336	1.6
67.05495	100.0
67.05853	3.9
69.03426	3.8
69.07049	19.0
73.02896	1.8
75.04481	1.9
76.56512	1.6
79.05474	63.2
81.03407	2.3
81.07040	98.0
83.04974	6.3
83.08616	8.2
85.02882	2.9
85.06523	1.7
91.05456	38.1
93.07023	89.0
95.04958	7.0
95.08592	68.9
97.02921	2.2
97.06556	3.0
97.10155	3.2
100.16245	2.1
105.07007	32.1
107.08578	43.6
109.06522	2.3
109.10139	35.1
111.08073	2.3
117.06989	17.4
119.08554	25.6
121.09350	3.0
121.10136	35.7
123.11695	13.6
129.06964	1.8
131.08566	28.0
133.10114	20.7
135.11664	29.5
137.13246	3.2
143.08543	3.1
145.10110	19.1
147.11667	14.5
149.13225	20.6
155.08482	1.7
157.10229	2.3
159.11679	17.4
161.13249	11.2
163.14832	9.9
173.13281	14.4
175.14700	1.9
177.16396	2.3
183.11635	1.7
187.14824	8.5
201.16414	2.2
205.15785	2.7
219.17455	1.7
233.22723	2.0
243.21072	20.4
261.22098	53.4
335.25723	9.2
353.26770	9.1
369.24188	2.8
405.26367	2.6
497.30734	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01852	1.3
55.05503	20.8
57.03428	9.4
57.07059	5.5
61.02903	5.2
65.03919	1.3
66.69043	1.1
67.05492	92.6
69.03412	2.3
69.07055	18.7
71.04964	2.4
73.02873	1.9
75.04435	1.4
79.05476	65.4
81.03397	4.5
81.07039	100.0
83.04977	1.8
83.08624	9.5
85.02879	6.2
85.06543	2.5
91.05463	28.3
92.09341	3.4
93.07025	68.9
95.04931	7.9
95.08583	70.8
97.02870	2.3
97.06496	6.5
97.10146	2.4
105.07020	26.9
106.66460	1.1
107.08580	39.8
109.06472	2.3
109.10150	32.5
114.84440	1.1
117.06985	13.1
119.08557	18.9
121.10123	29.4
123.11649	11.3
125.09589	1.4
128.06129	1.3
129.06947	2.4
131.08527	20.5
133.10095	14.6
135.11676	23.6
137.13287	2.0
143.08562	1.9
145.06470	1.2
145.10118	19.3
147.11621	9.9
149.13231	18.6
151.11157	1.8
157.10138	1.5
159.11627	11.3
161.13208	8.2
163.14789	10.0
165.12810	1.7
171.11632	1.5
173.13181	10.9
177.16330	2.5
179.14374	1.3
187.14838	7.4
201.16365	2.0
243.21063	12.3
261.22086	44.5
279.23233	1.9
304.44611	1.4
335.25662	13.2
353.26767	12.4
369.23660	1.4
454.66440	1.4
497.30795	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	516.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38256	2.0
51.13522	1.8
53.03937	20.1
54.40759	2.1
54.41084	2.3
55.01858	16.3
55.05492	10.4
56.60395	2.0
57.03428	10.2
58.25871	2.6
61.02909	17.2
64.86941	2.5
65.37405	2.4
67.05488	21.7
68.99782	4.3
69.03413	44.6
69.07053	33.0
71.04971	11.6
73.02895	14.4
79.05466	6.1
81.03409	51.1
81.07034	18.0
83.08607	2.7
85.02891	95.4
85.06527	2.8
87.00809	55.5
87.04465	3.0
91.03907	3.7
91.05463	19.5
93.07018	17.3
95.04931	5.0
95.08584	31.3
96.41177	2.4
97.02874	84.3
97.06532	3.3
99.04419	21.3
105.01836	32.0
105.07014	30.6
107.08580	22.2
109.02851	39.9
109.06487	10.5
109.10155	24.4
111.08054	3.2
117.01831	4.9
117.06999	4.5
119.08550	100.0
121.06482	25.5
121.10107	3.8
123.08041	4.1
127.03909	65.0
129.01830	4.9
131.08543	35.4
133.10132	22.8
135.08049	18.3
137.09697	2.7
141.00775	2.6
145.04901	19.9
145.06468	4.3
145.10121	27.4
147.02797	3.0
147.08023	2.6
147.11670	22.3
155.08575	3.1
157.10129	3.0
159.02869	21.8
159.11685	11.6
161.13242	16.8
163.07487	23.9
171.11742	5.7
171.34453	2.8
173.13203	26.2
177.09090	5.9
184.07268	3.2
187.14818	47.1
197.13229	14.8
205.15948	10.0
210.47194	2.6
211.14708	2.5
215.14255	78.4
231.05089	4.8
233.15294	48.3
243.22461	2.5
341.69724	2.7
362.73621	2.9
384.31918	2.7
395.15979	3.0
407.44116	2.4
463.19440	13.3
515.83832	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57180	2.0
55.01849	2.6
55.05509	18.7
57.03429	9.5
61.02921	4.0
65.27250	2.2
67.05492	82.7
69.07066	19.8
73.02890	3.1
79.05480	50.1
81.07041	100.0
83.04951	2.3
83.08609	9.5
85.02893	5.7
91.05467	33.8
93.06476	4.4
93.07025	73.0
95.04954	5.2
95.08587	78.4
95.68684	1.9
97.06501	2.5
104.85718	2.5
105.07027	24.4
107.08569	41.5
107.65433	2.4
109.06487	4.1
109.07690	2.8
109.10145	26.2
117.07005	9.0
119.08556	21.8
121.10107	30.9
123.11690	9.1
129.06967	3.1
131.08553	28.4
133.10114	14.6
135.11674	25.2
137.13173	2.5
145.10135	17.7
147.11674	9.0
149.13251	19.7
159.11647	14.9
161.13237	12.8
163.14786	4.6
173.13275	11.0
187.14816	5.4
233.01065	2.4
243.21056	12.8
261.22052	45.4
286.26483	2.3
303.11871	2.6
305.08057	2.3
335.25708	16.1
353.26874	13.5
385.12460	2.4
389.12946	2.4
495.62027	2.4
515.26666	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	515.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61588	1.6
70.75164	1.6
90.55906	1.9
93.48074	1.6
103.47347	1.6
103.89043	1.7
135.27577	1.7
217.67419	1.9
238.64859	2.1
478.88516	1.9
497.48755	1.9
515.31842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
54.12915	1.2
55.05507	21.3
57.03425	9.2
57.07070	3.0
61.02919	2.2
65.03927	1.5
67.05495	96.8
69.03399	3.0
69.07049	15.3
71.04983	2.5
79.05476	59.2
81.03393	1.7
81.07042	100.0
83.04989	2.1
83.08606	8.7
85.02907	2.6
85.06531	1.8
91.03940	1.4
91.05463	39.5
93.07029	78.9
95.04943	5.7
95.08006	3.1
95.08592	72.7
95.09203	2.8
97.02885	2.2
97.06530	5.9
99.04462	1.5
105.07031	30.8
105.89651	1.4
107.08588	52.4
109.06504	3.0
109.10146	34.1
109.16791	1.4
111.08075	1.9
117.06994	15.5
119.08555	20.4
121.10130	38.6
123.08003	2.1
123.11696	9.7
125.09658	1.4
129.06958	2.9
131.08551	28.0
133.10089	17.0
135.11673	25.4
135.12582	2.1
137.13281	2.0
139.57674	1.3
143.08543	1.8
145.10107	20.1
147.11673	12.6
149.13240	16.7
157.10089	2.6
159.11687	15.0
161.13246	11.0
161.86288	1.6
163.14807	11.4
173.13194	15.1
175.14746	2.6
177.12752	1.7
177.16342	2.7
185.13287	2.0
187.14754	5.6
201.16397	3.2
233.22548	1.8
237.75763	1.5
243.21165	15.1
246.08858	1.5
254.78331	1.5
260.05685	1.7
261.22083	54.1
335.25790	7.4
353.26764	11.3
479.29938	1.9
497.31097	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	515.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58041	0.3
68.99772	0.9
69.23517	0.4
88.39351	0.4
91.05439	1.8
92.64375	0.4
107.04954	0.7
119.04937	5.3
123.04388	2.1
130.66995	0.4
134.02536	0.4
147.04407	13.8
159.04384	0.5
169.06473	0.4
175.03888	4.8
180.70718	0.4
187.03952	3.5
197.05994	0.8
203.03406	3.9
207.08035	0.6
211.07564	1.5
215.03389	4.1
227.03304	4.1
229.01338	2.6
235.07584	0.9
239.06995	1.8
239.34592	0.4
243.02831	4.5
245.04321	0.6
247.02357	0.9
247.64806	0.4
255.06499	0.5
257.08020	0.9
263.06763	2.8
267.06274	0.4
271.02325	100.0
272.02655	0.6
279.06549	1.8
281.08105	1.6
289.03278	7.4
297.04013	0.6
303.06436	0.5
307.05765	0.5
317.04434	0.5
331.06070	0.5
335.05316	0.6
349.06854	1.9
353.06387	0.5
359.05646	0.5
377.06430	3.7
391.08063	43.4
395.07541	14.8
515.12921	2.4
527.63409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.8
67.05503	0.9
69.03408	2.0
69.07070	0.9
70.00844	0.8
70.57284	0.8
81.03410	4.1
81.07038	2.0
85.02899	4.3
90.21086	0.9
90.91956	0.8
91.05456	1.2
93.07027	1.1
95.08583	0.9
97.02901	1.0
97.06504	1.5
105.07019	1.6
107.10258	1.0
119.04990	0.8
127.03937	1.6
128.06194	2.1
129.06947	1.5
133.10149	0.9
142.07729	1.1
143.08548	21.2
153.01865	1.2
153.06943	1.4
156.09300	3.7
157.10135	6.3
161.09587	1.1
163.03914	1.1
165.06985	9.4
167.08621	1.2
170.10852	1.3
171.11615	6.9
179.06178	3.5
180.09299	9.1
181.10094	9.7
185.09610	1.3
185.13234	5.8
195.11676	31.3
196.12480	7.0
198.10420	1.6
213.12730	24.2
216.06889	1.9
231.09337	7.5
234.08025	1.5
244.37970	0.9
249.10378	100.0
267.11438	34.9
267.13693	0.9
271.02255	1.3
391.08069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15046	0.3
51.81083	0.4
55.01875	0.4
55.05477	0.4
58.50141	0.3
58.53056	0.3
65.33517	0.3
66.36597	0.4
66.94833	0.3
67.05469	0.5
68.99762	1.6
69.03400	0.8
79.05464	1.4
80.69065	0.3
81.03373	0.8
81.07040	0.4
85.02879	2.3
87.00815	0.7
91.05468	4.1
93.07014	0.6
95.04945	0.6
97.02857	2.0
99.04441	0.7
105.01831	0.4
105.06977	0.6
107.04913	0.6
107.08527	0.4
109.02876	1.3
111.00746	0.3
119.04913	5.6
123.04373	3.5
127.03874	0.5
129.07033	0.5
129.22766	0.4
133.06456	0.7
134.42091	0.3
137.02312	0.5
141.06989	0.6
142.07755	0.7
142.22659	0.3
143.08134	0.4
147.04396	16.3
148.04707	0.6
153.01830	0.4
157.02896	0.4
157.10065	0.6
159.04359	0.7
159.11716	0.4
161.06009	0.6
163.03876	1.5
165.06953	0.5
165.36461	0.4
169.06369	0.4
173.02292	0.4
173.05978	0.6
175.03859	5.5
181.06329	0.5
185.09566	0.8
187.03868	4.0
187.11119	0.5
197.05901	0.9
198.06894	0.5
199.03883	0.6
202.68732	0.4
203.03358	5.7
203.14339	0.5
207.08006	0.5
209.05994	0.6
209.07954	0.3
211.07503	1.9
213.09097	2.1
215.03339	4.1
225.01712	0.5
227.03365	3.9
229.01237	2.2
235.07532	2.2
239.06941	2.0
243.02788	4.6
245.04185	0.6
247.02309	1.8
247.71373	0.4
251.06905	0.6
253.08546	0.6
255.06458	1.4
256.06934	0.5
257.08011	0.7
263.06985	2.2
267.06509	0.9
271.02313	100.0
272.02573	0.6
279.06348	1.6
281.08008	3.2
289.03314	11.6
297.03949	0.4
303.06509	0.7
307.05716	0.8
310.45468	0.4
335.05524	1.6
345.44742	0.4
349.06848	1.7
353.06232	1.7
359.04938	1.2
377.06390	3.4
391.08047	40.8
394.06268	0.6
395.07516	18.5
515.12921	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	515.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70063	0.4
53.03945	0.8
60.22756	0.4
60.56389	0.6
66.00646	0.6
67.05483	0.9
68.99780	1.5
69.03436	1.4
71.04964	0.7
71.47101	0.5
79.05490	0.6
81.03406	2.2
81.07035	0.8
85.02900	2.2
87.00819	1.1
90.33106	0.5
91.05469	3.8
95.08578	0.8
97.02874	2.2
97.06515	1.0
99.04436	0.7
105.07018	1.1
107.04949	1.1
109.02903	0.9
109.06529	0.6
110.54604	0.6
119.04926	6.2
119.08564	0.9
123.04439	3.7
129.07059	0.7
142.07722	0.9
147.04417	15.6
148.04803	0.7
154.07683	0.6
157.10127	1.0
161.05894	0.7
163.03893	1.3
175.03929	6.7
181.40433	0.6
183.08104	0.7
187.03952	3.8
197.05920	0.8
203.03409	6.4
211.07587	1.1
213.09138	1.4
215.01604	0.7
215.03357	4.8
227.03366	2.6
229.01370	1.3
235.07626	2.3
237.05388	1.1
239.06914	2.1
243.02797	5.0
247.02328	1.0
253.08405	0.8
255.06393	1.0
257.08026	1.1
263.06989	1.1
271.02332	100.0
279.06601	2.3
281.08151	2.2
283.05865	1.0
289.03351	12.2
303.06595	0.9
313.04993	0.7
321.07297	1.1
335.05338	1.1
349.06979	1.4
377.06509	3.3
391.08057	37.8
395.07507	14.8
442.79507	0.7
515.12921	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	514.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81702	1.6
55.01860	8.1
55.05515	11.1
57.03428	13.2
57.06781	1.9
57.07068	51.2
57.07337	3.3
61.26609	1.4
67.05492	23.7
68.54707	1.5
69.07054	16.8
70.06570	3.3
70.54147	1.3
70.63763	1.3
71.08616	36.4
72.08938	1.4
74.26914	1.9
79.05473	55.5
81.07027	16.1
83.08615	10.2
85.10158	19.6
88.07613	6.4
89.06046	3.1
91.05481	16.1
92.08704	6.9
93.06483	2.9
93.07023	48.6
94.55810	1.6
95.04989	2.5
95.08588	20.2
97.10146	2.8
105.07009	11.3
107.08586	15.9
109.10146	9.5
121.10113	24.6
129.05447	2.8
131.08559	16.1
149.09607	67.6
167.33118	2.1
223.13332	9.9
256.26324	3.5
257.26697	9.1
284.26691	8.5
313.27338	100.0
347.04684	1.7
435.89288	1.7
461.36340	2.2
479.36813	6.6
513.50684	19.4
514.50970	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	514.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64985	0.5
53.00308	0.7
53.03926	0.8
55.01869	10.6
55.05507	9.1
57.03180	0.9
57.03431	16.4
57.07068	51.4
65.03921	0.6
67.05143	1.0
67.05492	26.5
69.06764	0.6
69.07059	9.8
70.06577	0.7
71.08614	33.1
71.09010	1.1
73.02899	0.7
79.05476	56.4
81.07044	12.7
83.04938	1.3
83.08595	10.5
85.10168	17.3
88.07592	1.5
89.06011	3.5
91.05456	17.4
92.09298	0.9
93.07020	51.2
95.04932	3.8
95.08578	18.6
97.06503	0.6
97.10159	5.2
99.11707	0.6
102.09143	1.1
103.07556	1.2
105.07022	11.9
107.04952	0.9
107.08572	20.9
109.10129	9.2
116.06224	0.6
121.10121	26.5
123.11665	2.2
129.05450	3.7
129.07004	1.1
130.31543	0.6
131.08533	16.3
137.13171	1.0
149.09601	68.5
187.83737	0.6
223.13277	9.2
239.23682	2.4
251.78708	0.6
256.26199	1.2
257.26804	1.4
273.88052	0.7
283.26318	3.2
284.26614	4.6
285.26822	0.9
313.27316	100.0
364.53278	0.8
367.28323	1.0
461.35867	2.6
479.37360	3.1
513.50500	5.2
514.50952	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44098	2.6
53.00319	3.7
55.05509	72.4
57.06811	5.2
57.07068	89.3
58.06581	3.0
59.38163	2.9
67.05482	22.8
68.42066	2.9
69.06674	3.3
69.07057	100.0
70.06580	25.1
71.08621	46.3
73.06510	4.7
79.05491	23.4
80.36593	3.2
81.07037	41.0
83.08611	78.1
85.06512	4.1
85.10168	18.2
88.07616	21.4
89.06045	7.3
93.07040	33.0
95.08575	38.5
97.06528	19.6
97.10155	51.0
102.09177	20.2
107.08606	26.3
109.10156	22.1
111.08063	14.0
111.11722	14.1
121.10101	24.4
123.11713	5.9
125.13269	4.3
135.11678	19.9
137.13210	4.4
139.11176	7.8
149.13277	23.2
153.12772	3.3
163.14799	7.8
165.03693	3.0
171.13797	4.8
177.16356	3.8
181.15915	4.6
185.15363	3.4
219.21074	29.1
237.22023	29.2
255.23158	22.6
256.26312	45.6
257.26599	20.9
259.26279	5.6
283.26282	53.1
284.26648	25.7
512.50269	39.0
513.50568	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19582	0.3
53.03940	0.4
55.38839	0.3
57.03409	0.4
59.99102	4.6
61.02909	0.5
63.79170	0.3
68.73095	0.3
69.03412	2.2
71.04987	0.4
73.02881	0.4
74.60346	0.3
81.03399	2.3
85.02887	4.0
85.07672	0.4
86.06059	4.4
87.00819	1.8
94.04181	2.6
94.06515	0.5
95.04934	0.8
97.02864	1.9
99.04428	0.7
105.01855	0.5
107.04920	0.5
109.02883	2.0
111.04427	0.7
120.04383	0.3
122.06008	100.0
125.16678	0.3
127.03936	2.8
133.02919	0.3
137.02319	1.9
137.05943	1.9
139.03951	0.4
159.02818	0.6
163.03899	0.7
164.07043	1.8
224.04843	0.7
260.87320	0.4
312.97241	0.4
370.06613	0.7
370.11276	15.7
382.92883	0.4
481.13031	1.9
482.13391	4.6
513.15759	2.9
514.15747	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	514.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47362	0.2
55.01849	0.4
55.05474	1.6
55.39975	0.2
57.03430	7.8
58.06591	28.4
59.04964	0.3
59.07373	10.3
60.08154	8.3
64.32874	0.2
67.05495	4.5
67.82980	0.2
69.07018	1.2
72.91645	0.2
73.02873	0.6
75.04462	4.6
79.05478	3.2
81.07040	3.5
83.08587	0.4
84.08102	0.4
85.02892	2.4
87.04450	5.5
91.05470	2.3
93.07029	3.0
95.04918	0.4
95.08585	2.4
100.11183	0.2
102.05519	0.2
103.03934	0.8
105.05477	0.6
105.06975	1.4
107.08546	1.2
109.10117	0.3
113.06001	0.5
117.06999	0.6
119.08573	0.5
131.07021	2.5
131.08557	0.5
133.10101	0.4
135.11606	0.3
144.10184	7.6
145.10066	0.2
159.06477	0.3
162.11221	4.1
173.13260	0.3
200.12717	0.3
218.13947	0.4
236.14886	100.0
286.31870	0.2
361.82663	0.3
434.36722	0.3
478.35208	8.8
496.36237	50.0
497.36853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01874	2.8
55.05505	22.8
57.03425	17.0
57.07072	3.6
58.06589	8.2
59.07380	2.1
60.08139	1.9
61.02917	24.4
65.03934	1.8
67.05495	51.2
68.63130	1.5
69.03426	2.3
69.07064	22.5
71.04984	3.0
71.08676	1.4
73.02895	7.3
75.04458	1.7
79.05476	79.4
81.03413	3.7
81.06592	2.9
81.07037	53.9
83.08604	6.4
85.02893	15.8
85.06528	1.7
87.04441	2.4
91.03928	3.7
91.05460	74.7
93.07024	100.0
95.04943	9.0
95.08585	37.9
97.02866	9.3
103.05450	2.7
105.07012	80.3
107.08575	52.2
109.06559	2.5
109.10149	10.0
115.05409	1.6
117.07001	16.1
119.08561	58.2
119.39790	1.6
121.06518	1.6
121.10119	42.0
123.08088	2.1
123.11711	2.0
129.06999	16.0
131.08548	30.7
133.10104	42.6
133.11034	2.5
135.11671	32.6
142.07793	2.0
143.08563	14.2
145.10104	19.9
147.08081	1.6
147.11670	40.6
149.13228	19.3
155.08562	2.4
157.10129	12.2
157.58130	1.5
159.11665	18.5
161.09634	3.0
161.13252	23.3
163.11012	1.7
163.14777	3.4
169.10123	3.1
171.11653	14.0
173.13243	11.8
175.14795	15.8
177.12703	1.6
183.11664	3.0
185.13232	9.9
187.14758	1.8
189.12692	2.2
199.14830	6.6
217.19527	2.7
223.11267	1.7
231.20943	5.7
236.14891	25.7
237.15221	3.0
241.19495	20.5
259.20517	61.6
277.21646	2.9
301.21313	1.8
333.24240	6.7
351.25214	79.4
375.25214	1.9
387.25009	1.7
441.26276	2.9
494.34448	8.4
495.28647	2.9
495.35245	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91554	1.2
54.65818	1.4
55.98721	1.3
69.03413	2.3
82.54211	1.3
85.02910	2.8
90.67397	1.6
92.08665	1.6
97.02840	1.7
98.97555	2.3
103.97924	1.4
109.61866	1.5
111.04430	1.7
137.05971	9.9
144.07610	2.2
163.03857	2.9
343.10052	2.7
363.42334	1.6
437.10291	6.5
438.02167	1.5
451.19366	1.9
454.23715	1.7
481.13153	75.8
513.15601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1866
Annotation	Pumiloside
Peak:m/z	Relative Intensity
50.74220	0.1
54.15074	0.2
54.96630	0.2
55.05496	0.2
56.88700	0.2
58.73594	0.2
59.05011	0.2
60.25776	0.2
65.03921	0.3
69.03432	1.8
73.02872	0.2
75.06302	0.2
81.03380	0.3
81.07026	0.4
85.02884	1.3
86.30137	0.2
91.04883	0.3
91.05458	8.4
95.08582	0.4
97.02874	0.7
103.05469	0.3
107.04915	0.9
109.02858	0.3
114.05576	0.2
119.04919	28.4
119.08490	0.4
123.08045	0.2
127.03876	0.9
131.04918	0.2
131.08449	0.2
133.10143	0.3
135.04381	0.3
137.05974	0.9
143.37959	0.2
145.10103	0.2
147.04393	100.0
148.04622	0.2
159.09149	0.8
163.03873	1.2
173.13155	0.4
175.14876	0.2
187.11151	0.3
201.92104	1.0
255.06479	0.8
265.14380	0.4
283.06073	0.3
309.09659	0.5
337.70633	0.2
351.13272	2.1
358.28091	0.2
384.09656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21372	0.8
53.67088	0.8
59.64319	0.7
65.69932	1.0
68.99775	6.2
81.07019	0.9
85.02870	1.2
91.05450	9.2
92.09293	1.0
93.07012	0.9
95.04950	1.0
98.97545	3.4
104.45825	0.9
107.04936	1.6
109.02869	0.9
115.25372	0.8
116.98582	1.3
119.04913	25.0
123.04414	1.2
127.03878	1.1
130.18015	0.9
131.04832	1.1
145.02814	1.0
147.04390	76.2
154.94252	1.1
163.03870	1.0
165.06981	1.0
171.04367	1.8
177.00604	0.9
181.06424	3.9
183.08134	1.2
185.06024	1.0
189.05432	1.1
195.08040	1.8
197.06131	1.6
199.07501	1.2
205.06516	4.7
209.06041	7.4
209.07709	0.9
211.07495	2.0
213.01865	1.7
213.05540	3.3
215.03410	6.2
221.05934	5.1
223.07494	1.7
226.06502	1.0
227.07048	4.9
231.02841	8.1
233.06174	1.2
234.06776	1.4
235.07542	3.5
237.02940	3.8
237.05345	27.5
239.06978	3.4
249.05467	5.3
251.07001	11.9
253.04999	4.5
255.06465	100.0
257.04446	1.3
257.08054	3.8
261.05325	3.3
263.03464	1.5
263.06995	6.7
265.04938	16.8
267.06586	1.3
269.08157	1.7
277.04968	1.8
279.06464	25.7
281.04376	4.7
281.08087	4.7
283.02829	1.7
283.05939	48.3
287.03333	1.7
289.04993	4.6
295.05865	8.0
297.07446	10.2
299.05408	1.4
305.04263	8.9
307.05930	12.7
309.03751	1.5
323.05426	12.7
325.06888	9.2
333.03827	17.4
347.05383	1.4
349.96506	1.1
351.04962	41.7
367.08047	3.8
369.05914	6.5
375.05002	9.0
377.01733	2.1
393.05948	49.3
411.07040	8.7
453.10608	2.3
471.10706	1.9
513.11639	46.8
513.18597	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	512.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81700	1.1
55.05512	13.1
55.19539	0.9
55.69984	0.9
57.03429	9.5
57.07069	8.4
62.29595	0.9
62.53413	1.1
63.32364	0.9
67.05496	34.9
69.07055	11.8
70.06569	1.4
71.08619	4.4
75.77953	1.2
79.05484	8.0
81.07043	22.8
83.08627	4.4
85.10178	1.5
88.07631	2.3
89.06017	9.9
91.05470	4.4
92.08671	5.2
93.07040	8.9
95.08588	100.0
97.06522	2.6
102.09176	1.4
105.07022	4.8
107.08572	2.0
109.10159	5.2
119.08579	1.4
121.10129	2.1
123.08044	2.5
133.08595	5.0
133.10091	2.2
137.13313	1.4
141.09097	2.1
147.11688	1.5
159.10161	9.0
208.80785	1.1
215.12733	24.0
228.11749	1.2
243.49463	1.2
256.26331	8.3
265.40692	1.1
283.26279	9.5
327.20117	6.4
337.27267	30.5
477.35648	25.7
512.34094	1.8
512.50385	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51013	0.5
55.05513	5.8
56.96541	0.9
57.03428	9.4
57.07067	10.3
57.31303	0.5
58.06302	1.1
58.06592	33.6
59.04990	0.7
59.07372	12.9
60.08152	11.2
61.02909	0.5
61.35802	0.5
65.03932	0.5
66.65990	0.5
67.05499	8.3
69.07050	5.9
70.06586	1.1
71.08611	6.3
73.02902	3.6
75.04456	4.5
79.05476	3.7
81.07037	6.6
83.08612	1.2
85.02908	4.1
85.10174	3.2
85.67606	0.5
87.04453	7.0
88.07616	0.9
89.06020	19.7
91.05471	2.7
93.07029	3.0
95.08576	5.6
97.06522	0.5
97.10162	0.9
98.98458	2.5
102.09191	0.8
105.05479	0.7
105.07037	0.7
107.07051	1.1
107.08592	1.2
109.10136	1.4
119.08538	0.9
127.80292	0.5
127.93725	0.5
128.98508	0.7
131.07005	1.4
133.08583	7.8
133.10109	0.8
135.11673	0.6
144.10165	9.4
147.52435	0.5
162.11215	5.6
177.11102	1.8
187.05380	0.6
213.07777	0.6
216.62057	0.5
218.13910	0.7
236.14888	100.0
250.59770	0.6
251.13190	0.6
255.08987	0.9
256.26340	1.3
269.10831	1.4
283.26266	2.3
287.11484	1.1
327.20108	5.7
340.29340	5.2
373.15527	0.6
414.16119	0.6
494.31845	0.9
494.38406	14.1
495.38678	1.4
503.25601	0.6
512.39392	52.6
512.50647	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	513.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53394	0.8
56.16517	0.9
68.99773	6.7
69.03429	1.1
72.15762	0.9
74.59105	0.9
77.41145	1.0
91.05465	9.2
92.09402	1.3
104.33689	0.8
106.70737	1.1
107.04958	3.7
115.05485	1.4
116.44722	1.0
119.04927	25.3
123.04415	1.7
137.02351	1.3
140.28157	1.1
147.04393	70.3
153.01814	1.3
153.06943	1.3
157.02705	1.2
157.06522	1.1
169.06389	1.0
171.00731	1.0
171.04446	1.7
178.35733	1.0
181.06474	4.1
181.81635	1.0
187.03854	3.7
193.06538	1.4
195.08160	1.7
197.05974	2.2
199.07510	1.2
205.06528	3.8
209.05858	7.3
211.07635	1.9
213.05464	2.4
215.03400	8.0
221.06021	6.5
223.07602	4.8
225.05385	1.2
227.07048	5.5
231.02858	4.5
233.06212	2.0
235.07512	4.8
237.05429	26.5
239.07158	1.8
241.04958	1.7
245.05801	1.2
247.07390	1.5
249.05489	5.6
251.07001	14.2
253.05029	2.1
254.87154	1.1
255.06477	100.0
257.00806	1.9
257.08069	3.9
259.02148	1.3
260.23605	1.2
261.05481	2.5
263.04068	1.2
263.07022	5.8
265.04935	16.5
267.06546	1.2
269.08032	2.0
273.05499	1.6
277.04999	8.2
279.06458	18.7
281.04483	5.2
281.08139	4.8
283.05963	40.9
289.04984	2.4
291.06671	1.7
295.06058	5.8
297.04718	1.0
297.07465	9.3
299.05380	1.2
305.04459	10.8
307.05948	11.4
315.02908	1.4
319.06143	4.8
323.05368	10.2
325.06888	7.4
333.03906	15.3
347.05450	8.6
351.04962	37.5
365.06442	3.7
367.08243	2.3
369.06088	6.3
375.04886	15.8
377.06628	1.6
393.05997	81.5
411.07065	5.8
419.07285	1.7
471.10699	2.0
495.10687	4.7
513.11786	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	512.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01841	0.4
55.05475	1.5
57.03428	8.4
57.03691	0.3
58.06589	29.8
59.07369	11.8
60.08152	9.1
62.97539	0.2
67.05490	2.9
69.07023	1.0
73.02863	1.0
75.04063	0.3
75.04456	5.4
77.93318	0.2
79.05474	3.2
81.07031	2.6
82.75803	0.2
83.04946	0.3
84.08113	0.9
85.02897	2.4
85.78742	0.2
87.04448	5.3
91.05456	2.9
93.07027	3.0
95.04931	0.5
95.08556	1.4
102.05510	0.5
103.03891	1.0
105.05450	0.9
105.07003	3.6
107.08543	1.1
113.06000	0.2
117.06947	1.0
117.07764	0.4
119.07813	0.2
119.08529	1.8
121.10098	0.3
129.06972	0.4
131.07028	2.7
131.08536	0.9
133.10036	0.8
143.08504	0.3
144.10184	8.5
145.10008	0.3
161.13206	0.3
162.11215	5.3
163.03862	0.2
200.12816	0.2
218.13805	0.5
236.14883	100.0
237.15315	1.0
290.16025	0.4
458.61255	0.2
476.33621	11.7
492.30011	0.2
494.34671	54.8
495.35129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37017	0.5
54.08507	0.5
54.55419	0.6
54.71454	0.6
56.51203	0.5
57.07059	2.6
58.06553	0.5
60.86263	0.5
69.40861	0.5
70.06583	1.2
71.08601	0.7
79.05468	4.1
81.63696	0.6
88.07608	1.3
89.06015	5.8
95.04946	1.3
102.09169	1.3
103.05434	2.9
105.07016	100.0
121.06490	2.4
133.08600	2.2
140.08127	0.6
177.11082	0.6
183.10133	11.0
208.07750	0.6
209.13193	2.7
256.26254	4.7
283.26157	4.6
287.16324	3.6
327.20090	2.7
512.50311	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	512.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84555	0.7
55.44450	0.9
57.07069	6.0
67.05492	0.9
70.06577	4.9
71.08625	2.1
76.56464	1.0
79.05468	4.2
81.07029	1.4
85.10172	1.0
85.10681	1.0
88.07619	4.9
89.06012	10.9
90.75137	0.9
95.04967	1.1
102.09156	4.0
103.05451	1.8
105.07014	100.0
106.42622	0.9
121.06499	3.9
133.08585	1.5
142.41348	0.9
149.42726	0.9
164.59433	1.1
183.10158	10.7
202.08934	0.9
209.13327	1.6
256.26297	8.8
283.26263	10.6
287.16299	5.3
327.20148	5.2
512.33966	4.5
512.50305	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	512.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81684	0.3
55.01852	0.5
55.05473	0.4
57.03428	8.4
57.07046	0.3
58.04700	0.2
58.06591	31.7
59.07373	11.0
60.08151	10.7
67.05484	3.0
69.07027	0.6
71.04950	0.3
71.08612	2.5
73.02887	0.5
75.03860	0.2
75.04044	0.3
75.04462	4.6
76.93819	0.2
79.05476	2.1
81.03397	0.3
81.07038	2.9
83.04959	0.4
83.08610	0.4
83.16311	0.3
84.08115	1.2
85.02902	2.9
85.72691	0.3
87.04453	5.8
91.05424	1.5
93.05457	0.3
93.07019	2.8
95.04922	1.0
95.08576	1.2
97.06482	0.6
98.97565	0.5
99.08031	1.1
102.05514	0.6
103.03892	1.4
105.05450	1.6
105.06994	1.1
105.20644	0.3
107.04919	0.3
107.08554	0.6
113.05950	0.5
116.98565	0.3
119.08533	1.3
121.10162	0.3
130.08614	0.4
131.07043	2.0
131.08508	0.3
133.10103	0.5
135.11636	0.4
137.09679	0.3
143.08545	0.3
144.09062	0.3
144.10176	8.1
151.11172	1.0
153.12715	0.3
161.13121	0.5
162.11261	4.6
163.11087	0.3
167.21461	0.3
179.14226	0.6
205.44466	0.3
218.13824	1.1
236.14890	100.0
237.15381	0.4
256.13055	0.3
290.07083	0.5
314.17511	0.3
344.11630	1.6
372.14197	0.4
400.14142	0.6
450.35944	0.5
459.27350	1.1
472.16238	2.4
477.28519	1.0
490.17496	0.4
494.34616	9.2
512.35748	62.7
513.35944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96559	1.7
69.03403	2.8
76.55470	0.7
81.03416	1.7
85.02905	1.2
86.03291	0.7
97.02859	1.1
98.97535	1.8
113.05972	0.8
116.98581	0.9
123.04408	1.2
125.06086	0.7
135.04384	0.9
143.00116	0.8
147.04388	0.9
158.99509	1.2
163.03857	3.3
164.04224	0.8
249.15685	100.0
269.04294	0.9
273.02585	1.1
285.09332	0.9
289.53622	0.9
404.81778	0.8
428.06342	1.0
451.14130	1.1
479.11212	1.6
511.13837	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3029
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
53.00302	0.8
53.03936	0.6
53.79533	0.5
55.01853	0.8
55.05506	29.1
57.03432	9.9
57.06820	0.7
57.07071	13.1
60.08151	0.9
60.77337	0.7
67.05492	23.9
69.07056	37.1
71.04980	0.8
71.08613	6.3
75.04436	1.1
79.05476	9.2
81.07043	23.4
83.08607	22.6
85.10158	2.9
86.09695	1.6
90.71469	0.7
91.05465	1.7
93.07029	12.2
95.08006	1.1
95.08592	20.4
97.06494	1.7
97.10150	12.2
98.98448	47.1
99.08059	0.9
102.67442	0.7
104.10699	4.2
105.06995	0.8
107.08558	6.7
109.10179	7.7
111.11705	4.6
116.99477	0.7
117.07056	0.8
121.10137	9.1
123.11689	1.1
124.99964	1.7
125.23857	0.6
135.11687	5.2
149.13281	1.5
155.01028	15.6
173.02081	1.2
184.07309	4.3
189.46410	0.9
247.05817	1.3
247.24141	0.8
265.25064	2.6
313.27338	1.0
339.28885	100.0
371.51877	0.8
382.99063	0.9
450.02792	0.9
475.28116	9.5
510.35907	0.8
511.34253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03428	1.4
62.84047	1.0
66.86432	0.8
68.99787	1.1
69.03426	4.8
81.03398	1.9
81.07049	2.1
85.02890	9.8
87.00848	1.1
91.05428	1.9
92.08702	1.9
93.07040	1.3
95.04938	2.1
95.08588	4.5
97.02876	6.2
105.07050	1.1
107.04924	7.9
107.08609	1.8
109.02894	1.1
109.06514	1.3
109.10157	1.6
119.04967	1.3
119.08558	1.5
121.10143	1.2
122.03613	4.9
123.04443	2.3
123.08015	1.0
125.05937	1.1
126.05481	1.5
127.03896	2.1
133.02792	1.0
133.06488	1.2
133.10114	3.9
135.04346	11.4
135.11674	1.3
137.02315	1.8
137.05956	100.0
137.09616	1.4
141.06949	1.7
145.02791	1.3
147.04419	5.1
149.02316	5.2
149.05925	1.3
150.06769	5.1
151.03894	1.3
152.06178	1.2
153.06998	12.7
155.08603	2.2
161.02301	1.3
161.05971	2.5
162.06767	2.1
163.03899	12.0
165.06947	9.3
167.03377	5.2
169.06488	6.0
171.08057	1.4
175.14847	1.0
179.03368	9.3
181.06450	20.9
183.07980	4.4
191.03400	11.1
191.04958	1.5
193.06516	3.9
193.15915	5.0
196.05176	1.7
197.05937	7.4
198.06801	1.3
198.78488	1.0
199.07568	4.0
207.04514	1.2
209.04323	1.3
209.05931	9.8
210.06676	2.2
211.07538	14.9
211.13283	1.1
211.16962	1.6
213.05446	1.6
213.09109	1.7
214.06172	1.5
221.05988	6.2
225.05501	5.1
226.06325	1.4
227.07010	3.9
229.08615	1.2
237.05417	10.5
239.06990	12.0
241.08684	1.7
242.05707	2.1
253.04807	7.1
255.06506	9.2
256.82370	1.2
257.08167	1.5
265.04971	15.9
270.05188	1.3
271.05981	5.0
283.06009	35.5
285.07523	65.8
288.06149	4.4
297.07553	15.0
301.07120	2.4
303.08563	29.9
315.08578	28.9
333.09610	40.2
357.24899	1.0
436.09387	5.4
479.11292	2.3
480.11920	12.2
511.13953	3.6
512.14417	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	511.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05501	0.6
65.15137	0.5
69.03398	2.8
71.04993	0.6
81.03415	1.3
81.07044	0.8
83.04969	0.8
85.02886	4.0
87.00813	1.4
92.09256	1.0
93.07025	2.4
95.04945	0.7
95.08583	1.3
97.02875	1.2
105.07021	3.1
107.08572	1.1
109.02882	0.9
109.06449	0.7
109.10161	1.1
119.08572	3.0
120.08871	0.7
121.10125	3.5
123.04428	0.6
123.08046	0.8
127.03907	1.4
131.08578	1.5
133.10107	2.4
137.02342	1.2
139.03810	0.7
144.09354	1.0
145.09923	0.7
147.11697	0.8
159.11685	3.7
160.12012	3.2
163.03915	1.0
173.13258	0.9
207.13705	1.1
208.14258	0.7
347.07440	0.9
435.08881	23.0
450.10992	1.0
476.27869	0.7
479.11465	15.2
493.12875	13.1
511.14117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01008	3.6
55.05500	4.5
57.07064	45.6
59.70015	4.0
61.66697	4.7
63.45997	3.2
64.93353	3.7
70.37508	4.4
70.66579	3.6
71.08617	37.2
71.91765	3.6
77.47246	4.6
85.10162	20.1
89.06020	100.0
92.64220	3.6
107.07019	4.5
133.08627	31.4
150.93991	4.4
158.77829	4.1
177.11191	7.2
262.15759	5.5
283.17441	15.9
441.35138	4.1
493.41003	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	511.1421
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
51.65724	0.8
55.01860	1.8
55.05513	1.6
57.03427	1.4
67.05495	1.3
69.03423	6.6
69.07051	1.2
71.04964	1.6
71.35753	0.9
75.33846	1.0
79.05518	1.2
81.03407	4.4
81.07046	4.2
83.04977	1.8
83.08601	1.4
85.02900	8.5
85.06513	1.4
87.00826	5.1
88.81422	0.8
91.05447	1.5
93.07039	2.4
95.04962	2.5
95.08592	4.2
97.02888	5.3
97.06504	1.2
98.03165	0.9
99.04484	1.1
99.08060	1.6
105.01828	1.0
105.07033	4.5
107.08581	8.6
108.08918	1.0
109.02868	2.4
109.06512	2.2
109.10168	5.6
110.10439	1.0
111.80516	0.9
119.08577	3.8
121.10120	5.1
122.36705	1.1
123.11639	0.9
125.09605	3.8
127.03912	4.1
128.04291	1.0
131.08588	1.0
133.10117	9.0
135.11690	4.1
137.02309	1.4
149.09663	1.4
151.11169	2.0
153.09073	2.0
163.03885	4.8
164.04306	1.2
167.14301	1.2
173.13202	1.7
191.14273	2.1
192.14737	1.4
209.15318	9.0
210.15816	4.1
227.16386	4.6
291.28482	1.1
347.07425	1.4
435.08813	28.8
451.11469	1.6
479.11533	74.7
505.17581	1.1
511.14169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05503	9.1
57.03429	7.9
57.07068	70.8
60.08145	3.6
61.02925	5.5
67.05494	19.3
69.03405	0.7
69.06712	1.0
69.07056	14.0
71.04984	0.9
71.07346	1.0
71.08617	49.7
73.02905	1.3
75.04459	2.8
75.69450	0.5
79.05479	1.3
81.07039	23.3
83.08604	18.6
85.02879	6.6
85.10168	27.0
86.09691	14.9
89.06010	0.7
91.03910	1.1
91.05462	9.6
93.07030	1.0
95.08586	35.8
97.02869	3.2
97.10143	7.9
98.98449	1.0
99.11705	1.3
104.10731	17.7
107.08552	1.1
109.10152	16.4
111.11686	1.4
112.26292	0.6
119.04925	27.7
121.10107	1.0
123.11683	6.8
124.99990	8.1
125.13126	0.6
125.57722	0.6
127.14912	0.6
135.11746	1.1
137.13232	2.5
147.04395	84.7
149.13210	0.9
151.14865	0.7
172.02066	0.7
184.07310	19.5
225.78532	0.6
228.23273	0.9
239.23662	20.9
257.24722	5.0
313.27325	100.0
331.28372	19.5
339.28760	3.2
475.30368	11.4
492.34323	1.2
510.35742	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	510.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.4
53.03934	1.0
55.01848	0.7
55.05509	11.9
57.03432	6.8
57.07067	100.0
61.02922	7.5
67.05141	1.0
67.05489	23.7
69.03419	8.0
69.07053	18.5
71.04969	1.2
71.08615	69.4
73.02903	3.0
75.04473	1.5
79.05437	1.0
81.03386	5.1
81.07040	35.9
83.08119	1.2
83.08603	28.0
85.02892	16.5
85.06517	0.9
85.10168	39.0
91.03934	1.5
92.08661	1.0
93.07023	3.0
95.08584	58.5
96.62041	0.7
97.02876	9.9
97.10138	13.0
99.04466	2.6
99.11698	1.6
105.07006	1.1
109.02852	3.6
109.10143	26.9
111.11694	3.1
123.11681	11.4
125.13236	1.2
127.03876	8.3
137.13219	3.5
145.04916	4.9
151.14755	1.0
165.16525	0.8
213.16576	0.9
221.22467	1.2
239.23643	36.2
257.24725	4.3
313.27307	74.7
314.27661	0.9
331.28378	16.6
337.77646	0.8
341.26889	1.1
383.27881	15.0
401.28925	37.6
510.32425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.5
55.05508	5.1
57.03433	4.2
57.07071	28.2
60.08162	0.7
61.02906	2.7
63.55445	0.4
65.03922	0.5
67.05496	8.0
69.07055	6.3
71.07372	0.4
71.08251	0.8
71.08620	19.6
72.01575	0.4
75.04456	0.6
76.55924	0.4
79.05497	1.4
80.60337	0.4
81.07041	9.6
83.08603	7.6
85.02888	2.9
85.10177	10.9
85.25368	0.5
86.09691	3.8
86.10548	0.5
89.06001	0.7
91.03922	0.8
91.05469	10.7
93.07035	1.0
95.08594	14.0
97.02863	1.0
97.10142	3.8
98.98444	0.5
99.04465	0.4
99.11660	0.4
104.10728	6.1
107.08603	0.9
109.10144	6.1
119.04927	33.0
123.11701	3.1
124.99983	2.6
135.11740	0.7
137.13220	0.7
147.04399	100.0
151.82155	0.4
169.26874	0.4
183.10884	0.4
184.07310	6.9
239.23634	8.4
257.24741	2.1
313.27316	34.1
329.26913	0.5
331.28339	6.7
339.28970	1.0
475.30453	12.1
510.34900	2.1
510.48328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01641	0.3
55.01872	2.8
55.05497	2.5
57.03422	0.9
57.07055	1.4
59.17286	0.3
64.96093	0.3
65.03918	0.5
69.07049	3.3
70.47462	0.3
71.08613	0.4
73.02911	4.7
81.07042	2.1
83.08621	3.1
85.10132	0.3
91.05468	15.5
92.64894	0.4
93.07030	0.7
93.07900	0.3
95.08612	1.3
97.10156	1.9
107.08555	0.4
109.10136	0.6
117.05492	0.5
119.04925	46.4
121.10130	1.5
129.05493	0.4
147.04396	100.0
150.70676	0.3
191.10808	0.5
221.08057	4.0
237.22171	0.5
255.23122	0.7
283.65579	0.4
307.66766	0.4
311.25760	35.5
312.26108	0.5
417.69608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69330	1.0
52.29961	1.1
54.37658	1.0
55.01882	1.2
55.05507	1.4
55.66232	0.9
57.03428	9.2
58.06594	39.3
58.54039	1.0
59.07373	16.1
60.08150	10.6
61.02907	1.9
61.33387	1.2
65.19387	1.0
67.05489	5.3
69.03400	1.3
69.07037	2.2
73.02901	1.2
75.04454	3.1
76.29942	1.2
79.05482	2.3
81.07048	7.0
84.08140	1.5
85.02887	6.3
87.04455	6.0
87.43252	1.1
91.05456	2.4
93.05494	2.1
93.07025	2.9
95.08585	2.6
97.02862	1.7
98.74029	1.3
105.07023	2.8
107.00713	1.1
107.04987	1.3
107.08574	2.1
111.94275	1.1
121.06518	1.5
123.06490	1.4
131.06996	2.5
131.08578	1.5
133.10075	1.3
144.10196	7.6
147.11739	1.3
152.70403	1.4
159.11687	1.4
162.11305	2.7
204.29042	1.4
217.11113	1.3
236.14886	100.0
275.20062	6.9
351.57922	1.2
467.25632	1.4
492.33301	10.7
510.34241	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01861	5.1
55.05500	27.2
55.66545	2.0
57.03411	9.3
59.04999	3.6
60.58348	2.2
61.30769	2.1
67.05489	36.6
68.84917	2.1
69.03416	27.7
69.07036	12.4
71.04964	9.1
79.05463	11.3
81.03397	25.8
81.07030	20.6
83.04964	53.7
83.08622	4.5
85.02896	48.2
85.06517	12.4
87.00818	19.7
91.05458	9.9
93.07038	30.1
95.04937	15.7
95.08584	49.0
97.02859	21.7
97.06545	3.1
98.31186	2.3
98.97577	3.1
99.04417	14.2
101.05978	13.0
103.05454	3.0
105.01838	14.0
105.07003	22.9
107.08579	45.6
109.02897	22.7
109.06493	14.9
109.10146	89.8
111.04386	4.6
111.08033	13.9
115.07521	4.0
117.01836	2.6
119.08537	33.1
121.06475	5.0
121.10117	37.0
123.08038	21.2
123.11671	5.2
125.09594	11.9
127.03896	26.3
127.11166	9.7
131.04915	5.2
131.08543	10.6
133.10112	31.3
135.08005	14.2
135.11647	9.0
137.02298	14.9
137.05949	9.2
137.09637	17.5
139.11172	2.5
141.08994	2.4
145.04944	3.6
145.10089	9.2
147.04353	4.9
147.11676	14.0
149.09587	16.1
149.13246	13.3
151.11142	10.2
158.10918	3.8
159.02919	2.5
161.13222	21.3
163.03828	4.4
163.07558	8.1
163.11105	9.4
163.14780	12.0
166.76761	2.4
167.14322	3.4
173.13239	17.5
179.14273	61.8
181.12318	3.0
191.14255	22.9
197.15341	37.2
209.15344	100.0
215.16359	9.9
227.16362	38.2
231.04794	3.4
245.17432	12.3
269.17468	3.6
351.76599	2.4
440.50797	2.5
457.20322	3.6
470.83929	2.3
475.21936	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	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
55.01868	3.7
55.05502	33.8
56.05011	1.9
57.03418	7.1
59.04976	2.6
61.02921	2.5
65.03961	1.8
67.05480	7.8
67.83749	1.5
69.03417	30.4
69.07049	7.0
70.76939	1.6
71.04967	11.0
73.02894	2.4
74.40568	1.6
79.05468	8.3
81.03408	19.9
81.07026	20.7
83.04969	21.7
83.08611	29.9
83.60480	1.5
85.02888	60.9
85.06525	6.3
86.09692	2.1
87.00815	33.6
91.05457	7.7
93.07021	23.3
95.04952	24.5
95.08560	13.8
97.02869	24.3
97.06489	7.0
97.10146	3.5
99.04429	15.8
99.08060	3.2
103.05463	1.8
105.01846	27.6
105.07007	28.1
107.08575	30.9
109.02866	18.6
109.06502	7.8
109.10142	26.4
111.04428	3.9
111.08087	4.0
119.08556	72.2
121.10124	50.1
123.04418	2.9
123.08039	7.6
123.11665	10.0
125.09617	9.3
127.03905	27.5
131.04926	3.0
131.08563	10.1
133.10103	23.0
135.07986	3.4
135.11685	3.2
137.02330	6.4
137.09599	6.5
139.11159	14.2
143.08528	2.7
145.04936	8.9
145.10118	3.6
147.11630	9.4
149.09526	2.6
149.13251	9.3
151.11148	28.3
153.09088	7.5
159.02882	5.9
161.13219	45.2
163.14777	7.4
165.12848	2.1
167.10681	2.4
167.14253	22.2
173.13223	12.0
179.14293	8.1
191.14301	8.2
197.15358	3.7
199.11028	1.7
208.14203	1.7
209.15341	100.0
227.16394	22.0
231.04909	9.4
249.06062	2.8
282.26523	1.6
287.05655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.5
55.01860	0.5
57.03423	0.3
57.07059	0.3
58.06098	0.2
60.73777	0.3
61.20290	0.2
67.05482	1.2
69.03409	0.4
69.07055	13.4
77.16705	0.2
79.05479	0.5
81.03405	0.6
81.07037	1.1
83.08582	0.4
85.02883	0.6
85.06535	0.4
91.05465	0.6
93.07010	0.6
93.60458	0.3
95.08575	1.3
97.02946	0.3
97.06504	0.3
97.10156	0.5
103.05443	2.2
103.14275	0.2
105.07015	0.6
107.04950	1.2
107.08573	0.3
109.10159	1.3
120.08084	100.0
121.34818	0.3
123.11730	0.5
131.04893	3.0
131.08624	0.2
146.05994	0.3
147.11818	0.3
149.05934	1.3
166.08607	32.8
216.13783	4.2
244.13393	0.4
262.14322	19.0
287.42087	0.3
298.77307	0.3
446.75690	0.3
478.75824	0.3
509.23770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89980	0.6
53.03933	3.7
53.71873	0.5
55.01859	1.6
55.05505	27.9
56.96548	1.0
57.03420	3.0
57.07079	1.2
59.04985	1.7
61.02913	1.6
65.30680	0.6
67.05500	7.1
69.03419	12.8
69.07061	7.1
71.04967	5.6
72.36098	0.8
73.02878	1.2
79.05466	5.4
81.03391	10.7
81.07036	11.6
83.04969	20.5
83.08605	21.7
85.02892	22.1
85.06533	5.0
87.00811	11.6
91.05467	5.3
93.07022	17.1
95.04952	22.3
95.08562	9.6
97.02857	8.9
97.06513	10.4
97.10163	5.2
99.04432	8.9
99.08070	1.3
105.01864	9.4
105.07006	10.6
107.08575	32.3
109.02881	7.4
109.06506	18.5
109.10145	21.1
111.08071	7.4
113.05991	1.0
115.05397	0.9
115.07549	1.0
119.08547	11.9
121.10120	38.9
122.10374	0.8
123.04357	1.0
123.08044	5.1
123.11667	7.9
125.09597	7.6
127.03891	14.3
131.08525	7.3
133.09183	1.4
133.10110	27.0
135.08047	5.2
135.11673	4.9
137.02307	4.8
137.05972	1.3
137.09578	1.4
137.13313	1.0
139.03944	0.8
139.11180	1.3
145.04958	2.6
145.10120	5.0
147.11679	7.3
149.09621	1.0
149.13243	8.0
151.11159	25.1
153.09076	7.0
158.10864	2.5
159.02855	1.7
161.13210	1.4
163.11171	1.0
163.14816	7.5
165.12778	1.1
167.14273	29.1
173.13231	15.4
175.14748	1.4
191.14302	14.8
192.98276	0.8
193.78061	0.8
209.15341	100.0
210.99031	1.7
227.16383	16.6
229.00183	1.0
231.04826	1.6
243.01915	0.8
249.06003	1.7
287.05420	3.5
326.98694	0.8
332.92978	0.9
439.19485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.8
53.03943	11.9
54.38657	0.5
55.01867	14.8
55.55250	0.6
57.03431	7.8
61.02922	8.8
63.87921	0.7
64.33794	0.7
68.99777	8.7
69.03419	37.5
71.01334	1.4
71.04986	7.5
72.61898	0.6
73.02911	10.5
79.05463	0.7
81.03405	45.2
81.07073	0.7
83.01318	1.3
83.04984	0.8
85.02893	100.0
87.00816	46.8
87.01604	0.8
87.04446	1.5
88.87516	0.6
91.03934	4.2
93.07053	0.7
97.02259	1.5
97.02876	37.3
99.04438	18.2
103.03918	3.8
105.01862	19.4
107.04948	21.2
109.02867	36.5
109.03610	1.2
111.04433	1.5
115.03902	1.6
117.01847	9.6
123.04412	10.1
127.03904	49.4
129.01807	7.8
131.04895	6.0
131.08572	0.8
132.04500	0.7
133.02847	1.2
134.68355	0.8
135.04402	26.9
135.11803	0.6
136.05185	5.3
137.02353	0.9
137.05942	2.9
138.22635	0.8
145.04958	20.1
145.06160	1.1
145.06427	0.7
147.02844	3.9
147.04379	2.9
153.06955	3.7
157.06430	1.3
159.02866	25.4
159.04372	7.4
160.05164	3.3
161.05980	3.5
163.03880	1.2
167.08524	3.0
169.83394	0.7
171.02992	0.8
171.08160	0.9
173.05980	1.6
181.06439	5.4
184.05220	0.7
185.05888	1.0
189.03894	3.2
189.05434	0.8
195.08055	3.1
199.07516	8.6
209.06004	1.0
211.07545	0.9
213.03979	1.0
223.07553	5.5
227.06984	3.8
231.04901	7.1
235.07480	0.8
239.06877	0.9
241.08597	4.6
245.08038	31.5
251.06920	1.6
255.06467	7.0
257.08124	2.7
263.07068	0.9
266.05566	0.7
269.08029	33.7
279.06589	1.2
281.08017	2.9
283.09650	1.0
287.09100	25.3
293.08160	1.1
307.09558	2.6
311.09109	12.3
317.08078	1.1
335.09088	7.8
353.10223	9.5
419.28186	0.7
421.08905	0.7
439.10025	1.6
475.12036	1.0
484.35947	1.0
498.35492	0.9
514.45514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01873	1.6
55.05511	29.0
56.21825	1.1
57.03436	6.6
57.07073	3.1
62.03295	1.4
66.25748	1.4
67.05498	54.8
69.03419	9.0
69.07066	22.4
71.04985	1.7
79.05475	17.9
81.03413	1.5
81.07045	32.2
83.08606	20.3
85.02898	3.5
85.06517	2.8
87.00850	1.4
88.73381	1.5
91.05470	18.8
93.07026	40.1
95.04955	84.4
95.08600	22.0
97.06526	11.3
97.10167	17.7
105.03385	5.4
105.07021	31.8
107.04954	3.5
107.08584	61.8
109.06528	13.1
109.10151	76.2
111.08093	10.3
117.06995	13.2
119.04935	5.9
119.08562	24.0
121.06503	11.1
121.10107	13.3
123.08067	19.1
123.11664	5.6
125.05958	2.5
125.09628	17.8
125.13205	1.5
127.11179	8.6
129.06990	5.6
131.04929	1.7
131.08559	30.6
133.06480	2.9
133.10126	14.4
133.93153	1.4
135.08061	9.7
135.11694	34.8
137.05963	12.0
141.07031	1.8
143.08565	21.0
144.09425	2.1
145.06488	3.6
145.08961	2.9
145.10115	86.0
147.04404	2.1
147.08064	12.0
147.11649	11.4
149.09602	8.9
149.13252	6.6
149.66878	1.5
151.07635	2.7
151.11182	1.9
153.07016	2.0
153.12730	15.1
155.08507	11.3
155.14233	3.0
157.10135	9.5
158.07242	2.1
159.08020	9.5
159.11679	34.2
161.09570	11.0
161.13234	7.5
163.03900	8.6
163.11177	2.6
163.14828	3.4
164.04239	2.5
167.08571	2.6
168.09352	2.1
169.10080	2.2
171.07982	12.2
171.11642	6.2
173.09604	33.5
173.13240	27.4
175.11102	6.2
175.14819	7.0
177.09090	1.6
177.12762	2.4
179.08575	2.5
181.10136	7.9
183.11681	10.0
185.09645	2.4
185.13240	7.4
187.11186	12.2
187.14780	2.2
189.09084	7.5
189.12769	2.7
189.16383	2.6
191.10634	13.4
191.14308	9.8
193.10222	2.7
193.15868	49.3
195.11696	8.4
197.09581	2.2
197.13289	8.6
199.11174	2.3
199.14920	2.4
201.12759	11.0
205.12238	6.7
207.11681	3.0
209.13371	4.6
211.11150	2.4
211.14648	2.6
213.12764	7.2
215.10809	2.2
215.14311	8.9
219.13779	30.2
223.11137	3.5
223.14859	6.4
225.12708	5.6
225.16399	2.2
225.18465	1.7
227.14310	6.1
229.12178	3.2
231.13770	2.1
237.12756	2.1
237.16309	6.0
239.14305	1.7
241.15961	2.2
253.15889	3.2
255.17386	7.2
261.14804	1.7
265.15857	7.1
265.19614	1.9
267.17307	3.2
283.16821	9.9
283.20355	2.9
285.18396	1.7
293.18939	6.7
299.16440	2.5
301.17889	7.8
302.55090	1.8
303.19586	9.4
311.20038	14.1
319.19052	2.2
321.18277	2.3
329.21024	23.7
339.19711	10.2
347.22318	3.6
357.16104	2.1
357.20578	48.2
371.22104	41.8
375.21655	10.7
437.30542	6.4
455.31479	21.7
473.32574	100.0
491.33304	2.4
492.10010	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	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.7
56.24704	1.4
57.03423	13.9
57.07058	3.1
67.05496	63.7
67.17487	1.3
69.07058	34.6
73.29836	1.5
79.05485	19.3
81.06601	2.7
81.07045	67.8
83.08608	13.8
91.05453	13.4
93.07029	23.4
94.60786	1.6
95.04977	1.7
95.08591	47.8
97.06480	1.7
97.10146	6.9
98.98450	63.2
105.07019	8.0
107.08574	12.3
109.10130	18.0
115.08263	1.5
119.08563	3.4
121.10112	7.2
123.11697	6.5
133.10086	6.7
135.11693	7.7
137.13168	1.6
142.69806	1.5
147.11774	2.9
149.13194	3.0
155.01045	17.2
155.54814	1.7
162.57849	1.7
173.02077	3.7
175.14693	2.1
187.45952	1.6
263.23654	3.4
271.91241	1.5
327.43054	1.6
337.27319	100.0
338.27853	1.8
399.84045	1.5
399.91599	1.8
473.26184	3.2
509.32794	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	509.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
69.03425	0.8
84.98983	0.5
85.02883	0.8
87.38046	0.3
97.02903	0.4
111.10394	0.4
138.05499	0.6
148.03899	0.4
148.07620	0.4
152.03432	1.5
160.03928	0.7
161.04710	0.8
162.05478	0.7
171.09216	0.5
176.07033	1.6
178.04996	3.8
183.09077	0.5
184.07629	0.6
185.07080	1.9
185.10716	0.5
186.09235	0.7
187.05141	3.0
197.07034	0.7
198.09254	0.4
199.08614	4.8
199.12375	0.5
201.06583	4.1
201.10222	1.7
205.05984	0.7
209.10712	0.7
210.09209	1.5
211.08650	2.3
212.09140	0.5
212.10872	1.3
213.06578	6.1
213.10161	4.8
215.11601	0.4
219.85454	0.4
222.07736	0.5
225.06560	0.5
225.09990	0.5
227.04565	0.4
227.08156	8.7
227.11620	3.6
228.06625	0.5
228.10362	0.6
229.09717	4.8
229.13342	0.4
231.07645	4.2
237.06587	0.6
237.10168	3.4
238.08653	2.0
239.08089	2.3
239.11873	0.6
240.06544	0.4
240.08858	0.5
241.09645	7.3
243.11273	1.5
245.09224	1.7
250.07321	0.6
251.08031	0.6
255.07637	12.4
255.11255	9.4
256.09586	0.6
257.09177	2.0
257.12866	1.5
259.06982	0.8
259.10739	0.5
265.09665	5.7
266.08087	1.7
267.07599	3.2
267.11194	0.5
269.09140	9.0
273.08704	7.3
273.11737	0.8
275.10364	0.4
275.13843	0.5
278.06952	0.4
283.07559	1.1
283.10727	21.7
285.08786	0.6
287.10214	3.6
293.09149	6.6
301.11807	6.1
311.10220	49.7
319.12927	2.0
329.11273	69.7
330.11508	0.7
347.12341	100.0
348.12744	0.8
371.82364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46867	0.2
53.03052	0.2
55.01869	3.0
56.03400	0.3
57.10480	0.2
69.03402	0.5
69.07020	0.3
71.04931	0.3
79.21785	0.3
81.03409	0.3
85.02871	1.5
87.97211	0.3
92.08591	0.3
97.02852	0.6
105.06982	0.3
108.04462	0.6
122.44930	0.3
127.03888	0.3
128.94229	0.4
134.05977	0.4
135.04463	0.4
138.05482	0.5
152.03406	0.6
160.03880	0.4
162.05420	0.6
163.03873	2.4
164.04160	0.6
176.07133	1.1
178.05032	2.5
182.09711	0.5
185.07076	0.7
185.10736	0.4
187.04996	2.3
198.09253	0.3
199.08623	3.9
201.06606	3.2
201.10146	1.1
204.06572	0.3
205.05983	0.5
209.10664	0.5
209.15338	0.6
210.09293	1.1
211.08620	1.9
212.10837	0.5
213.06586	4.1
213.10268	2.8
215.11696	0.5
219.07474	0.5
222.07758	0.3
225.06590	0.6
225.10168	0.5
225.14928	0.4
227.08153	6.5
227.11678	2.9
228.06435	0.5
229.09685	3.7
229.13290	0.5
231.07565	4.2
233.05627	0.4
237.10237	3.0
238.08595	1.1
239.08130	1.2
239.11792	1.1
240.10284	0.3
241.09708	5.3
243.07639	0.4
243.11237	1.4
245.09256	1.5
251.08267	0.4
255.07596	10.2
255.11241	6.4
257.09201	2.2
257.12808	1.5
259.07077	0.6
259.10718	1.4
265.09659	4.1
266.08020	0.4
267.07626	2.1
267.11389	0.5
269.09167	8.6
273.08621	6.0
273.11813	0.5
275.10187	0.6
283.07297	1.2
283.10730	21.7
285.08792	0.3
285.12201	0.5
287.10190	3.3
293.09177	6.6
301.11731	5.2
311.10229	37.5
312.10684	0.5
319.12805	2.2
329.11279	66.1
330.11600	1.4
347.12332	100.0
348.12656	1.6
477.10004	0.4
509.12082	0.6
538.14612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05502	0.4
69.07046	0.8
69.42431	0.7
79.05457	0.7
81.03389	0.5
81.07032	1.2
85.02900	0.8
93.06989	0.9
95.08512	0.6
95.90111	0.5
103.05489	0.5
104.17574	0.5
107.08556	0.5
113.05743	6.9
123.08113	0.6
124.07575	1.0
137.02301	1.2
137.05907	0.8
145.06416	0.5
147.04320	0.9
147.11667	0.7
149.02362	0.8
149.92099	0.5
150.20311	0.5
152.07007	2.1
163.03822	0.7
171.00510	2.1
174.21669	0.5
182.88087	0.5
189.01572	2.0
225.14816	0.6
227.48770	0.5
243.06155	0.8
248.01123	0.5
261.07294	100.0
271.04233	3.0
272.15671	0.6
300.58865	0.5
303.71057	0.5
367.15283	0.7
465.13620	5.7
509.12576	44.0
510.12405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01864	4.8
55.05502	30.1
56.96555	98.6
67.05499	29.9
68.05840	3.3
69.03412	5.5
69.07063	23.7
71.04955	3.5
79.05473	28.1
81.03382	14.1
81.07034	43.6
83.01325	18.5
83.08603	6.1
84.69547	3.0
84.96010	15.1
85.02895	3.3
89.83795	3.2
91.05452	35.5
93.07016	28.9
95.04916	4.9
95.08576	27.8
97.06481	6.4
97.10152	13.5
98.97559	51.5
98.98412	6.7
105.07020	21.7
107.04916	5.2
107.08591	14.7
109.06509	3.7
109.10143	17.7
115.05435	5.0
116.98610	42.7
117.07007	18.4
117.16544	2.9
119.04942	4.2
119.08562	6.0
121.06497	6.7
121.10108	13.4
123.08051	3.9
123.11650	3.9
125.06027	3.3
128.98595	14.6
129.02048	3.4
129.06998	12.8
131.00189	4.0
131.03813	3.4
131.08549	12.3
133.10114	13.2
134.99655	28.2
135.04395	22.0
135.07997	4.0
135.11665	4.0
137.05966	47.2
137.09575	3.2
140.98645	3.5
141.06880	3.7
143.00090	5.6
143.08614	3.7
145.10175	5.9
146.99609	5.8
147.03299	11.6
149.04893	34.1
151.07526	27.4
152.98651	5.6
153.05463	4.3
157.10129	4.0
158.99593	5.3
159.11674	5.7
161.01146	23.3
161.05925	16.0
162.99113	3.5
163.03818	6.0
165.08992	4.1
167.05931	17.9
170.99583	5.2
177.00711	6.3
179.00134	5.4
179.02122	4.1
181.04939	20.5
187.11203	4.9
189.00729	5.6
195.06442	28.9
195.10086	6.4
197.01173	63.5
199.05969	61.2
199.07635	3.7
201.00694	8.0
202.96112	3.8
209.08078	14.3
215.02194	34.4
219.01759	42.2
221.05893	6.0
222.99150	5.2
223.09656	16.4
225.08957	5.0
235.09631	3.7
237.02753	51.5
237.11166	8.1
241.00211	23.0
249.11205	17.3
253.07394	40.5
255.04041	4.4
261.05206	47.7
263.04431	5.0
265.08517	5.4
271.08472	63.9
275.19995	3.8
279.05365	6.9
280.65781	3.5
285.11133	5.8
287.01569	5.1
293.17453	15.9
297.06384	100.0
297.11240	6.4
307.19061	4.9
310.08920	3.3
311.12622	4.0
315.07458	15.1
319.62436	3.9
321.11386	4.2
339.07602	13.1
363.07443	5.4
367.03375	11.8
423.09656	36.8
441.10556	4.6
445.29306	15.1
447.09589	7.4
465.11273	15.5
470.62540	3.4
491.29880	37.5
509.10422	77.8
509.31284	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07009	7.9
67.05498	16.5
69.07056	9.4
79.36322	6.3
81.07037	39.1
83.08637	8.3
89.55195	6.2
91.05427	7.6
92.63915	9.1
93.07007	10.8
95.08564	64.1
96.90710	6.6
97.10179	8.0
107.08601	42.5
109.10150	35.5
119.08565	25.4
121.10119	38.9
123.11679	11.6
133.10104	12.1
135.11681	39.9
137.13210	9.8
146.50719	6.9
149.13252	14.9
163.11143	10.8
163.14787	9.6
177.16351	10.8
191.17952	60.4
202.47408	7.2
239.18027	7.9
251.19952	9.4
253.19478	7.4
275.20050	8.3
409.34497	42.1
427.35553	100.0
445.36670	48.7
455.34833	11.0
473.36130	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	508.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	57.7
57.03421	14.1
57.07068	12.4
67.05487	66.8
69.03418	50.1
69.07059	96.8
71.04963	11.6
79.05478	42.7
81.03416	25.7
81.07063	77.2
83.08614	41.7
85.02901	88.3
87.00819	23.2
91.05473	24.7
93.07024	21.5
95.08573	100.0
97.02868	21.7
97.06541	25.0
97.10159	25.8
105.01804	21.4
105.07041	23.4
107.08595	25.5
109.02838	15.8
109.06488	13.8
109.10169	59.1
111.11678	12.9
117.07031	12.4
119.08580	24.9
121.10130	15.8
123.11629	19.6
127.03881	46.4
128.50569	10.7
133.10133	48.8
145.60588	10.6
147.11729	12.5
160.21303	9.4
172.29280	11.5
189.16359	66.6
195.88306	11.1
207.17372	73.2
225.18480	48.8
241.50359	10.7
298.01047	11.7
485.45035	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	508.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39214	1.6
53.03944	4.5
54.11407	1.7
55.01867	3.5
55.05506	35.1
56.41423	1.7
57.07057	2.9
65.28132	1.7
67.05492	39.3
69.07062	17.3
71.05003	2.9
79.05048	2.9
79.05479	44.1
81.03399	14.6
81.07036	41.3
83.04973	10.9
83.08603	31.6
85.07427	2.2
89.95761	1.8
91.05466	33.3
93.07029	35.7
95.04945	35.7
95.08598	29.1
97.06511	4.9
97.10152	9.7
105.07012	42.1
107.04933	13.9
107.08575	27.3
109.06483	5.1
109.10123	15.6
111.08047	3.2
117.06976	17.3
119.08554	32.1
121.06517	5.0
121.10107	19.1
123.08042	4.7
123.11610	2.7
125.09631	2.5
129.07014	3.2
131.08508	14.6
133.10103	27.3
135.08022	2.8
135.11661	15.1
137.09590	2.5
143.08521	3.6
145.10097	27.8
147.11671	15.4
149.09604	28.8
149.13268	2.5
151.11179	3.2
155.08574	3.7
157.10197	3.7
159.11665	14.7
161.09561	2.5
163.11128	30.8
169.10088	3.0
173.09505	4.8
173.13187	4.7
177.12798	3.8
189.11053	2.3
195.11496	2.5
223.13322	8.9
229.19487	2.4
239.17886	9.6
257.18884	14.5
260.01236	2.1
275.20029	100.0
293.18054	3.8
293.21082	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	507.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.6
76.56393	1.4
106.24702	1.0
137.75682	1.1
154.85619	1.0
169.78542	1.2
195.09920	1.7
238.06303	1.0
346.17926	1.1
349.00922	1.1
507.36478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03022	8.2
62.11587	8.9
62.62130	8.8
78.41446	10.2
90.56856	8.9
95.37707	9.2
96.63313	8.5
106.32237	11.1
118.76071	10.9
243.33263	9.9
507.36374	100.0
525.18237	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
54.81592	0.3
55.01848	0.5
55.05494	0.8
57.03427	4.4
61.02913	0.5
65.03899	0.4
69.03414	24.9
71.01328	0.7
71.04980	3.1
74.32789	0.3
79.05463	0.8
79.23399	0.3
81.03400	8.2
81.83353	0.3
83.04958	2.7
85.02896	8.3
85.06524	0.7
87.00784	0.6
89.03898	1.3
89.33147	0.3
91.05443	0.8
91.12991	0.4
92.08697	0.7
93.03372	0.6
95.04946	1.4
97.02871	9.2
99.04434	9.4
101.02294	0.4
107.04932	3.5
109.02848	1.6
109.22896	0.4
111.04418	5.6
113.05976	1.6
115.03904	0.4
117.03336	4.2
119.04935	4.7
123.04392	7.7
127.03893	5.7
133.30426	0.3
135.04393	16.5
137.02341	0.7
137.05885	1.2
139.03874	15.9
145.01700	0.4
145.02834	10.5
145.04912	1.9
147.04388	27.6
151.03859	0.5
153.05463	2.9
155.08427	0.4
159.02866	0.4
163.03870	100.0
164.04192	1.4
165.05482	1.9
169.04930	0.6
173.06017	0.6
181.04906	2.1
187.05974	3.3
197.06024	0.4
201.05428	1.3
215.07033	0.7
243.08630	0.5
243.30417	0.4
267.08344	0.5
283.08075	5.1
284.97729	0.4
307.08267	0.5
309.09705	4.8
325.09106	31.7
343.10187	0.4
405.11688	1.4
423.12814	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	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.0
55.01858	1.8
55.05508	10.3
57.03411	1.9
58.85555	0.7
59.04985	1.8
65.03943	0.9
65.96089	0.7
67.05498	11.7
69.03415	5.3
69.07059	10.4
69.24490	0.8
69.32243	0.8
71.04972	5.0
71.08573	1.0
72.78928	0.7
73.06527	1.6
79.05480	8.6
79.46046	0.7
81.03381	1.4
81.07041	65.6
83.04964	5.0
83.08601	1.0
85.02879	3.9
85.06533	1.0
86.03215	1.2
89.06016	3.2
91.05454	7.2
93.07012	8.2
95.04953	12.9
95.08586	8.0
97.06494	5.0
99.08068	23.6
103.05470	1.4
105.01841	1.0
105.07000	9.2
107.04942	1.8
107.08578	17.9
109.06494	4.2
109.10143	14.3
111.08076	1.3
117.07065	3.5
119.04892	1.4
119.08595	6.5
121.06490	1.9
121.10131	2.2
123.04417	1.0
123.08051	5.4
125.09578	8.0
127.03902	1.2
127.11225	1.0
128.06293	1.1
129.07021	1.3
131.04913	4.4
131.08565	10.5
133.10104	5.0
135.08029	1.2
135.11639	5.1
137.05991	9.7
137.09566	1.2
143.08562	7.8
143.10661	1.8
145.10129	12.2
147.08008	4.2
147.11659	3.8
149.02322	44.8
149.09586	1.2
150.02652	15.0
151.11151	6.0
154.93826	0.9
155.08527	6.0
157.10133	4.9
159.08015	1.7
159.11703	3.9
161.09599	2.0
163.03877	3.7
163.07413	1.2
165.12717	3.4
167.08594	1.2
169.08580	1.3
169.10075	4.2
169.12265	1.0
171.02068	3.4
171.07985	4.6
171.11623	1.9
173.05940	3.3
173.09624	9.5
173.13208	4.4
175.07558	2.1
175.11194	1.0
179.08441	1.1
180.36035	1.0
181.10089	3.5
183.11655	4.5
185.09485	1.1
185.13261	3.5
187.07608	1.1
187.11177	1.2
189.09068	1.9
191.10628	1.8
191.14313	4.4
193.10109	2.0
195.11679	4.8
196.12404	1.2
197.05978	1.3
197.09633	1.5
197.13208	5.5
199.11162	3.8
203.21397	0.9
205.10110	1.2
207.11725	1.7
208.08798	1.0
209.09679	1.5
209.13229	3.5
209.15196	2.1
211.11169	1.3
211.14772	1.0
213.12785	4.1
215.06990	4.0
215.14252	1.1
223.11127	1.9
223.14865	1.4
225.05226	1.5
225.12831	7.9
227.14165	1.0
231.13831	1.1
233.13197	1.8
235.11156	1.3
237.07564	1.1
237.16345	7.7
239.14235	2.1
243.06502	20.2
247.14746	1.7
248.77423	1.2
250.13225	2.9
253.15790	1.5
265.15854	8.8
283.16843	19.6
299.16379	3.3
301.17953	100.0
306.80649	0.9
309.13248	5.2
310.13577	11.3
311.19852	1.5
329.21127	7.4
331.22784	1.1
335.20197	1.2
353.20914	1.9
357.20462	1.2
371.22028	1.8
391.25980	1.0
409.27246	16.5
427.28189	10.1
435.28412	1.9
445.29224	5.1
453.29883	10.3
471.30945	17.4
489.31970	7.7
529.63776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.38262	2.0
50.39799	1.7
53.00296	2.8
53.03928	2.0
53.86773	2.1
55.05508	24.0
56.96546	2.1
57.03430	18.6
58.19778	1.8
59.57546	2.2
60.29645	1.6
61.69507	1.7
67.05151	3.4
67.05496	83.8
69.07054	20.8
69.29514	1.7
79.05477	60.2
81.07047	68.8
83.08597	4.5
84.08519	2.1
85.20644	2.1
91.05462	25.0
92.09472	3.6
93.07032	59.8
95.04975	3.9
95.08588	51.6
98.98453	85.3
101.61870	2.3
105.06992	22.5
107.08596	30.0
109.10153	23.3
117.06980	4.1
119.08569	16.6
121.10107	14.5
123.11730	3.1
131.08539	8.8
133.10106	9.0
135.11693	13.6
136.99931	2.3
145.10081	4.2
147.11688	5.2
147.40750	2.5
149.13232	4.5
155.00969	20.0
155.43384	2.1
159.11655	5.3
171.98929	2.4
173.02106	10.4
183.55087	2.2
195.85374	2.3
243.20996	3.7
261.21909	5.1
303.40524	2.4
335.25745	100.0
471.24805	5.1
507.29248	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	507.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01867	9.9
55.05508	17.7
56.84695	1.4
57.03433	12.3
57.07085	5.5
59.22339	1.4
61.02926	6.8
67.05495	42.1
69.03410	22.8
69.07053	33.5
71.04988	7.4
71.08607	3.0
73.02908	1.6
73.86079	1.4
75.72501	1.3
77.02511	1.4
79.05476	44.8
81.03392	13.1
81.07040	100.0
83.04980	7.6
83.08609	14.7
85.02897	33.7
85.06538	11.4
85.10139	1.9
87.00808	11.4
91.05460	20.2
93.06428	2.5
93.07024	77.2
93.78111	1.8
95.04948	3.9
95.08586	60.9
97.02866	14.6
97.06519	6.2
97.10159	8.3
99.04428	3.9
99.08112	1.7
105.01888	7.8
105.07002	17.7
107.04984	1.6
107.08585	44.6
109.02858	9.5
109.06504	17.6
109.10151	33.5
111.08048	2.5
117.05482	3.5
119.08542	18.4
121.06513	10.7
121.10125	36.3
123.11710	12.3
125.78551	2.0
127.03930	15.8
127.07538	31.8
131.08530	13.1
133.10104	15.3
135.08035	12.5
135.11652	12.6
137.09619	2.9
137.13260	2.6
139.07552	3.2
145.10126	8.4
147.07947	2.1
147.11682	6.9
149.09589	9.6
149.13252	8.9
151.14795	3.6
153.09058	2.4
157.10023	2.0
159.11748	2.2
161.13216	9.5
163.03841	1.5
163.14777	30.0
175.14810	11.4
177.16399	10.1
187.14838	15.1
193.15918	7.6
205.15866	14.2
211.17065	1.7
223.16901	38.7
235.20601	2.1
241.17899	11.7
259.18991	2.6
273.25937	2.6
291.27036	1.7
309.27777	1.8
327.25238	27.6
391.41925	1.8
392.85312	1.5
435.20010	2.1
453.20840	1.8
507.22018	30.7
507.28961	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	507.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.81785	0.2
55.01865	2.3
55.05497	0.2
56.39725	0.2
57.03426	0.2
57.23439	0.1
57.37347	0.2
65.03925	0.9
67.01846	0.2
67.05493	2.8
68.99786	1.3
69.03418	1.2
69.07053	0.4
69.45657	0.2
71.04996	0.2
75.01974	0.2
76.04725	0.1
79.05476	1.4
79.98602	0.2
81.03405	1.0
81.07030	1.2
83.04961	0.9
85.02889	1.8
85.06541	0.3
87.00809	1.1
91.05464	25.9
92.08695	0.4
93.03384	1.4
93.07011	1.0
95.04947	2.5
95.08585	1.6
97.02869	1.0
97.06519	0.3
99.04412	0.3
102.25482	0.2
103.05454	0.9
105.03376	0.4
105.07014	5.9
107.04944	1.0
107.08559	0.7
107.10490	0.2
109.02866	0.8
109.10142	0.4
111.00771	0.2
111.04430	1.8
115.05421	2.0
117.06990	0.3
119.08574	0.3
121.02793	0.2
121.06516	0.2
121.10114	0.4
123.04395	0.2
123.08043	0.2
123.66475	0.2
127.03895	2.0
128.06117	0.2
129.06981	11.0
131.04935	0.4
131.08575	1.1
133.06471	31.6
135.04445	0.3
135.11613	0.2
137.02238	0.6
137.05980	0.2
139.03886	100.0
140.04228	0.2
145.06480	2.2
145.10141	0.7
147.04378	0.2
147.07999	1.7
151.03949	0.3
157.06461	8.4
159.11684	0.2
163.03882	1.3
171.07999	1.2
173.09552	0.4
175.07516	14.3
181.04962	0.4
187.14786	0.3
205.16014	0.2
209.39192	0.2
215.07062	0.4
217.08694	1.3
223.16866	0.4
241.08534	3.1
241.17889	0.3
259.09607	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	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83125	0.5
54.81334	0.5
56.38903	0.5
57.03423	1.0
61.02910	2.1
69.03411	2.9
72.80024	0.5
73.02911	0.6
81.03387	1.3
85.02894	17.7
91.05469	5.1
97.02870	3.8
99.04423	0.7
109.02842	1.2
111.04424	0.6
119.04922	19.1
120.22251	0.5
127.03902	3.0
128.49944	0.6
137.02313	0.7
142.42024	0.5
145.04904	2.7
147.04396	100.0
148.04741	0.7
163.03889	1.4
163.05986	0.7
164.25287	0.6
165.05447	35.9
165.06850	1.3
181.51213	0.5
190.81374	0.5
211.77188	0.6
275.95059	0.6
287.11017	0.9
327.10571	0.9
337.37570	0.6
366.99203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
55.05508	9.0
56.54427	0.2
57.03420	0.2
59.04994	1.6
59.52388	0.2
61.02914	0.3
64.86896	0.2
65.03911	0.3
69.03407	1.0
71.04608	0.4
71.04980	7.7
73.06152	0.2
73.06541	4.3
81.03391	0.2
85.02884	2.1
89.06016	6.0
91.05468	0.5
94.11826	0.2
97.02889	0.8
105.07069	0.2
111.04452	0.2
119.08568	0.4
121.02849	2.3
127.03926	0.4
129.06989	0.7
131.08559	0.5
137.06013	0.7
145.06468	0.2
145.10179	0.2
145.82005	0.2
147.08025	0.2
149.02328	100.0
150.02670	0.3
157.06459	0.3
161.05975	1.8
163.03893	0.4
163.07404	0.2
167.03365	1.8
175.07515	7.3
203.07013	6.1
219.06396	1.3
221.08028	3.9
237.07552	2.5
280.43475	0.2
291.12265	1.2
309.13275	25.3
310.13760	0.3
361.15302	0.2
509.59955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.05503	0.2
57.03419	0.7
58.62422	0.1
59.04977	0.2
61.02910	0.4
64.96626	0.1
69.03415	5.5
71.01337	1.5
71.04939	0.2
73.06535	1.5
75.04476	1.3
79.05490	0.2
81.03394	0.9
83.04978	0.2
85.02885	1.7
86.92940	0.2
89.03889	2.7
92.08767	0.2
97.02866	4.9
99.04448	1.0
101.06010	2.9
107.04931	1.2
107.08585	0.1
109.02888	0.2
111.03667	0.2
111.04424	3.9
115.03922	0.4
117.03361	4.8
117.05473	0.4
127.03876	0.2
129.05486	2.1
132.06511	0.2
135.04399	12.9
135.95753	0.2
137.02271	0.2
145.01695	0.4
145.02837	12.0
147.06496	0.7
163.03877	100.0
164.04214	0.7
181.05002	0.2
186.93500	0.2
194.07256	0.2
199.05052	0.2
253.85667	0.2
325.09125	4.9
439.12048	0.3
456.15234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81921	0.1
52.10523	0.1
53.03922	0.1
56.09698	0.1
57.03418	0.6
63.02336	0.1
65.97855	0.1
69.03069	0.2
69.03418	3.1
71.01329	0.2
71.04953	0.2
77.18681	0.1
79.05463	0.2
81.03388	1.1
85.02890	1.6
87.13605	0.1
89.03899	2.4
97.02261	0.2
97.02873	5.9
99.04428	0.2
101.05987	0.2
107.04927	1.1
109.02821	0.2
111.04416	0.6
115.03967	0.3
117.03367	4.9
127.03884	0.3
129.05458	0.1
134.89948	0.1
135.04398	12.2
145.02832	12.5
147.04355	0.2
163.03880	100.0
164.04219	0.8
165.04617	0.2
181.04964	0.8
205.31822	0.2
212.13231	0.1
234.52956	0.1
307.08032	0.5
325.09125	9.4
439.12506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05503	0.4
57.03426	0.9
58.00665	0.2
59.04987	0.7
61.02911	0.8
69.03418	7.5
69.03802	0.3
71.01338	1.8
71.04975	0.2
73.06531	2.0
75.04469	1.7
79.05494	0.2
81.03416	1.3
83.04958	0.9
85.02879	2.7
89.03896	2.0
91.05438	0.2
97.02869	8.3
99.04415	1.6
101.05998	4.3
102.09162	0.2
107.04950	1.1
109.02887	0.6
111.04431	11.7
115.03896	0.7
117.03357	3.8
117.05486	0.7
117.67354	0.2
119.04948	0.3
127.03922	0.4
129.05460	3.1
129.62996	0.2
131.08620	0.2
133.02849	0.3
135.03358	0.4
135.04395	11.2
137.02344	0.2
145.02829	10.8
147.04353	1.4
147.06464	0.8
155.02794	0.2
161.02374	0.2
163.03874	100.0
164.04205	0.9
179.03389	1.5
181.04866	1.3
205.12238	0.2
223.13354	0.2
307.07956	0.8
323.45441	0.2
325.09119	13.1
329.65762	0.2
372.56421	0.2
439.12476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99015	0.4
56.33633	0.4
57.03428	0.7
61.02914	2.0
69.03404	3.4
71.62946	0.5
79.05494	0.5
81.03382	2.0
85.02414	0.9
85.02890	14.6
89.03893	3.3
91.05485	0.6
96.91927	0.5
97.02874	3.6
98.06870	0.5
107.04910	2.3
109.02861	1.1
111.04372	0.6
117.03350	7.1
120.73512	0.5
127.03899	1.1
134.15063	0.5
135.04396	18.0
139.03838	0.6
145.02831	17.2
145.04929	2.7
147.04376	3.5
147.30960	0.6
163.03868	100.0
181.04921	24.3
222.07315	0.5
288.51901	0.6
317.49957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.5
53.03940	4.1
53.40939	1.8
55.01865	3.6
55.05508	14.7
56.46301	1.7
57.03428	4.5
57.07061	4.6
57.32048	1.9
61.02919	2.6
64.33987	1.9
67.05499	18.9
68.99783	3.6
69.03424	24.2
69.07064	24.9
71.04975	16.4
73.02905	2.2
73.66983	1.6
78.65129	1.6
79.05477	21.6
81.03407	19.5
81.07045	100.0
83.04969	2.6
83.08613	3.3
85.02904	41.2
85.06533	3.3
85.22960	1.8
87.00819	28.8
91.05453	10.6
93.07027	42.5
95.04932	7.4
95.08588	45.4
97.02888	17.4
97.06504	9.5
103.27367	1.8
105.01834	10.5
105.07023	34.9
107.04896	2.0
107.08587	69.4
109.02861	12.0
109.03527	2.0
109.06525	2.2
109.10151	36.1
111.04481	2.0
111.08085	2.5
119.08572	42.6
121.10141	22.1
123.11688	17.1
125.09658	2.0
127.03897	16.6
127.11159	10.5
131.08554	4.4
133.10101	32.8
135.11682	76.0
137.05998	2.6
137.09583	2.4
143.08533	3.5
143.10741	2.8
145.10091	7.6
147.11665	29.2
149.13235	10.5
153.12711	4.2
157.10051	2.4
159.11705	8.8
161.13210	13.8
162.22446	2.2
163.03842	2.5
175.14766	2.5
177.43311	1.9
187.14862	2.0
203.17931	44.1
215.17889	2.1
221.18994	38.2
239.20012	3.9
254.86079	1.9
289.25339	2.9
347.22409	2.2
505.37250	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	504.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97616	10.2
67.05488	17.4
72.07480	9.6
77.78202	9.7
81.07020	20.9
84.13587	10.9
93.07045	14.5
95.08579	25.7
97.06467	12.0
107.08572	10.7
115.07537	22.6
115.17905	10.9
121.10069	21.9
123.08041	16.7
123.11658	20.6
125.09644	11.5
133.77579	11.4
147.11646	12.3
173.13387	12.0
191.17909	51.7
423.35968	37.7
430.94897	13.3
441.37241	100.0
459.38092	44.8
504.44046	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.0
54.39347	1.8
55.01862	4.6
55.05499	4.2
57.03433	18.4
57.07071	48.9
63.68836	2.0
67.05484	16.7
69.07055	30.4
71.04971	21.1
71.08617	26.4
72.02554	2.4
78.97007	2.7
79.05479	97.1
81.03395	16.2
81.07037	19.9
83.04939	19.2
83.08609	4.6
85.10164	15.3
95.04958	35.8
95.08585	15.5
97.06503	49.7
97.10125	2.6
99.04432	4.6
107.04934	24.6
109.10178	5.1
109.60548	2.2
112.19608	2.6
123.11645	2.9
125.05977	26.2
135.06161	2.5
143.07014	14.2
157.08601	4.4
194.43681	2.5
199.09619	14.8
231.12222	5.6
294.40735	2.6
313.27341	100.0
332.54907	2.9
411.30911	25.5
437.32452	16.8
457.21927	2.7
469.35126	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	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.1
57.03427	7.7
57.63070	4.9
59.80483	4.6
61.02907	6.4
65.49789	5.4
67.05492	94.4
69.07050	12.5
70.43766	5.0
73.02882	6.2
79.05489	81.3
81.07046	100.0
83.04971	6.0
83.08585	8.0
85.02891	22.1
91.05458	38.9
91.89484	5.1
93.07025	83.4
95.08593	59.8
97.06524	6.1
99.33741	6.0
100.42654	5.4
105.07020	28.5
107.08585	39.1
109.10148	28.5
117.06998	7.5
119.08547	28.0
121.10127	40.0
123.11696	22.1
131.08553	35.0
133.10126	34.0
135.11690	41.0
145.10139	24.7
147.11726	8.2
149.13278	31.9
150.17451	7.2
159.11700	14.3
173.13229	12.4
189.16281	6.7
215.17897	62.0
233.19019	45.7
307.22769	11.5
307.96661	6.9
315.05698	6.6
325.23633	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	504.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44660	1.9
50.75204	2.3
53.00305	2.4
53.03945	3.2
55.05499	17.3
57.03425	11.2
57.07071	5.9
61.02909	13.4
65.58791	2.7
67.05497	76.7
69.07058	14.2
71.04993	4.4
71.08572	2.7
79.05476	92.6
79.05901	5.2
81.06593	6.0
81.07041	90.7
83.08604	4.6
85.02911	12.2
85.06572	3.5
90.14002	2.3
91.03929	4.6
91.05466	42.4
93.07023	100.0
95.04951	6.0
95.08592	63.4
97.02857	4.3
97.06481	4.5
97.88426	2.6
99.08070	4.8
105.07020	39.2
107.08586	53.5
109.10147	31.3
111.08094	3.6
116.90842	3.0
117.07007	17.3
118.10076	2.8
119.08570	28.2
121.10130	63.6
123.08070	3.4
123.11681	17.9
131.08557	45.5
133.10114	31.6
135.11673	67.7
137.09621	3.6
145.10103	33.3
147.11647	16.1
149.09567	3.6
149.13263	32.2
151.11218	3.2
159.11647	28.4
161.13216	3.9
162.21391	2.8
173.13194	24.8
178.79668	2.5
179.14449	2.7
187.14886	5.0
205.19389	3.7
205.66136	3.0
209.70622	2.4
215.17920	61.6
233.18977	81.8
251.20091	4.1
282.09464	3.2
307.22659	5.2
325.23627	24.9
381.54407	3.2
432.84824	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23864	0.2
53.03929	0.4
57.03417	1.1
59.04719	0.2
59.04989	4.2
59.55461	0.2
63.97908	0.2
66.22890	0.2
69.03420	2.6
69.21054	0.2
71.01327	0.3
71.04967	1.0
74.95918	0.2
79.05480	0.4
81.03410	2.5
81.51483	0.2
85.02893	4.7
87.04453	0.5
89.03892	2.7
91.05437	0.3
91.38886	0.2
95.04934	0.3
97.02865	4.5
99.04427	0.9
107.04915	1.7
111.04414	1.5
113.02353	0.3
115.75783	0.2
117.03361	5.0
123.04433	0.2
127.03842	0.4
135.04399	13.6
145.01680	0.5
145.02827	12.5
145.04918	5.0
161.05952	0.5
161.65594	0.2
163.03877	100.0
164.57356	0.2
167.08458	0.2
181.04950	0.9
187.07527	0.5
189.05429	0.2
197.05951	0.4
213.08945	0.2
215.06961	1.2
215.62297	0.2
241.08522	0.5
247.09500	0.2
259.09637	0.4
307.08057	6.5
325.09122	7.1
347.41876	0.3
378.95071	0.2
437.10602	2.3
451.07141	0.3
455.23169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	36.3
58.45593	3.2
59.80840	3.4
61.02904	4.8
67.05499	35.0
68.00325	3.4
68.92290	3.5
69.03426	17.7
69.07056	27.9
71.04967	7.4
73.59135	3.1
79.05469	57.7
81.03419	7.1
81.07042	94.5
81.47485	3.7
83.04969	5.8
83.08586	7.8
85.02876	35.4
91.05464	66.0
93.07033	100.0
95.04955	7.5
95.08594	64.9
97.02878	18.4
97.06536	8.6
97.10120	3.7
105.01921	4.5
105.07021	82.0
107.08589	62.2
109.06534	7.6
109.10131	31.0
117.07003	37.5
119.08574	97.6
119.59032	4.3
121.10115	42.4
123.11682	5.8
127.03864	15.3
129.07014	15.5
131.04953	4.9
131.08582	17.0
133.10126	50.4
135.11681	7.7
135.17072	3.8
143.08549	15.6
145.10075	4.0
147.08067	8.5
147.11707	24.7
149.13271	7.8
159.11676	26.1
159.12965	3.4
161.09610	22.9
161.13252	43.1
175.11176	6.0
175.14845	4.5
179.10658	6.8
185.13197	9.0
188.89075	4.5
203.14325	40.6
203.18030	7.5
221.15364	78.3
257.08078	5.3
268.53534	3.8
293.24750	5.1
305.24646	8.9
306.25159	6.6
338.57391	4.3
427.85703	3.9
466.82434	3.7
494.90790	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	504.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01855	0.7
55.05500	3.4
57.03413	0.2
61.02913	0.2
63.14656	0.2
63.29202	0.2
65.03918	0.3
69.03422	1.5
71.04975	0.3
73.01308	0.2
73.02892	0.3
73.06535	1.8
75.14097	0.1
81.03406	2.1
81.99762	0.2
85.02893	2.5
87.00804	1.6
91.07569	0.2
97.02874	1.6
99.04427	0.3
105.01807	0.3
109.02854	1.1
117.01849	0.2
121.02847	2.0
121.03606	0.2
121.04019	0.2
125.03816	0.2
127.03890	0.9
131.08548	0.3
149.02322	100.0
159.02888	0.3
161.05952	0.4
163.03854	0.4
167.03334	1.5
175.07471	2.7
203.07007	1.9
221.08051	21.6
239.09052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01857	0.5
57.03419	0.6
61.02903	0.5
65.03893	0.3
69.03415	2.6
72.04919	0.3
79.05486	2.1
80.04370	0.3
81.03390	0.7
81.07062	1.1
84.36975	0.3
85.02894	5.0
91.05466	4.2
94.04169	2.7
95.04961	0.7
97.02867	1.4
103.05451	1.2
103.12882	0.3
105.07008	8.3
107.04921	1.4
109.02864	0.3
109.06486	2.5
115.05421	3.6
117.06988	1.3
117.86156	0.3
119.04938	0.4
119.08544	2.6
121.06479	0.7
122.03623	7.3
127.03866	0.6
128.06175	2.2
129.07004	3.4
131.04929	1.5
131.08595	0.3
132.05736	2.7
132.06651	0.2
133.06487	5.5
135.04401	0.4
137.05956	100.0
143.04922	0.5
143.06027	0.4
144.05702	0.6
145.02821	0.3
145.06476	0.7
146.03596	0.6
146.07242	0.4
147.04410	1.6
147.08051	3.1
149.05960	1.7
155.04906	0.7
156.05620	0.7
159.07997	3.4
160.05170	1.9
161.05956	9.3
163.03848	0.7
163.07544	0.6
165.06946	0.4
166.49823	0.3
171.08003	1.3
172.05148	2.2
175.07512	20.0
177.05418	0.7
177.09029	0.3
179.07016	0.5
179.08453	0.3
184.05205	1.3
187.07506	9.1
189.07011	0.4
190.07768	3.6
191.06781	0.5
191.08514	10.5
199.07521	6.3
199.09331	0.5
202.07719	3.2
203.08549	5.9
204.09262	0.5
205.06491	1.2
207.08099	0.5
208.08788	1.4
217.06613	0.3
217.08560	0.6
217.72186	0.3
218.07237	2.9
219.08011	15.9
220.08847	2.4
221.05922	0.5
228.24023	0.3
231.07999	6.8
232.08842	1.7
233.09584	1.3
235.07521	1.3
236.08241	2.5
237.09030	0.5
246.06847	0.4
247.07489	7.5
248.08293	3.5
249.08954	0.8
251.10617	18.3
253.08588	1.4
259.07416	5.1
260.08237	2.4
261.09195	0.7
263.10660	3.3
264.07767	1.9
265.08618	1.5
275.06909	0.4
276.07813	1.5
277.08438	2.3
279.10120	11.2
280.10764	1.3
281.08063	1.1
283.13101	0.3
291.10104	7.1
292.10965	1.3
293.08160	0.6
295.09604	0.3
295.13232	0.7
296.10318	2.4
308.10391	0.4
311.12720	24.8
323.12720	8.8
323.91162	0.3
341.13635	0.5
493.20407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.98953	0.7
55.01859	1.1
57.03424	1.8
61.02916	3.5
69.03413	10.3
71.04986	0.8
71.06430	0.8
73.02881	0.8
75.67310	0.8
79.05470	1.7
81.03411	5.6
81.07039	4.0
85.02897	18.5
91.05466	5.9
93.07006	1.0
94.04158	2.2
95.08615	1.2
97.02888	8.5
103.05452	4.1
105.07029	7.5
107.04954	2.0
107.08604	1.1
109.02872	1.9
109.06519	1.8
115.05443	3.6
117.07010	1.3
119.08568	4.8
122.03631	12.0
127.03870	3.4
128.06223	1.6
129.06953	3.4
131.04909	5.0
132.05725	3.8
133.06467	2.0
135.04411	1.1
137.05960	100.0
145.04916	1.3
146.03572	1.3
147.04388	1.6
147.08044	4.7
149.05922	1.3
159.07977	1.7
160.05147	2.1
161.05933	9.0
163.03944	1.9
163.07523	5.6
175.07512	37.6
184.05208	1.3
187.07443	7.0
190.07826	4.0
191.08511	7.0
199.07544	10.4
201.05542	1.6
202.07823	3.2
203.08469	7.4
205.61324	0.9
218.07285	1.8
219.07959	10.4
220.08878	3.6
231.07988	9.1
232.08870	2.0
235.07446	1.6
236.08128	1.1
247.07480	6.1
248.08305	4.4
251.10577	12.5
259.07529	5.8
260.08258	3.4
263.10617	4.1
276.07791	3.7
277.08514	3.7
279.10172	7.0
281.07941	1.1
291.10034	9.8
292.10861	3.4
296.10327	1.5
311.12701	17.0
323.12592	12.4
325.14368	1.3
448.61615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.8
57.03429	19.0
57.06818	2.1
57.07070	43.2
59.04983	5.4
67.05494	100.0
69.07061	10.0
71.04966	1.9
71.08614	28.4
79.05459	1.4
81.07035	22.5
83.08621	11.0
85.06512	1.7
85.10169	15.5
91.05457	4.8
93.07011	5.0
95.08579	24.7
97.10162	1.4
106.20146	1.1
109.10143	78.3
111.08046	4.6
119.08552	5.2
123.11661	1.6
155.10664	2.2
173.11702	15.7
220.89854	1.4
229.14302	41.5
239.23665	1.6
313.27319	55.7
339.92191	1.3
467.37256	96.3
467.92471	1.3
468.37888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.4
55.05521	25.3
57.03432	7.1
57.07055	2.7
59.09864	2.4
61.01300	2.8
62.06081	69.0
66.94891	2.8
67.05500	49.9
69.07051	30.9
73.02870	2.9
79.05476	47.7
81.07054	38.5
83.04946	3.8
83.08608	6.4
91.05473	67.7
92.09279	5.7
93.07025	38.6
95.04957	4.6
95.08575	30.8
97.06525	6.6
97.10148	4.4
98.06110	2.8
98.98463	19.7
105.07034	37.2
107.08589	16.2
109.10152	5.8
117.07005	16.8
119.08575	33.1
121.10155	11.7
123.11703	4.0
129.05486	13.7
129.07007	12.0
131.08568	15.4
133.10135	19.0
143.08595	4.2
145.10123	5.9
147.11668	5.4
148.32788	2.9
149.64584	3.2
155.01105	3.1
157.10138	6.1
159.11723	3.7
171.11661	4.6
189.16351	3.7
203.17931	3.9
211.09079	3.1
216.06346	5.4
269.22672	4.6
287.23700	3.7
311.25769	4.4
312.26065	4.8
313.26511	7.2
330.27914	15.9
337.17740	3.1
361.27374	100.0
484.27972	12.0
502.28983	7.1
506.26334	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	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.2
54.92109	1.2
55.05509	11.5
55.64587	1.2
57.03437	23.8
57.06811	2.2
57.07072	39.3
59.04998	3.3
67.05499	100.0
69.07059	8.2
71.04998	1.4
71.08624	25.8
71.08976	2.4
75.01699	1.4
79.05484	3.3
81.07047	25.5
83.08620	8.8
84.19087	1.3
85.10171	13.1
91.05484	3.1
92.09358	2.9
93.07008	2.3
95.08596	18.2
97.10142	5.0
106.06016	1.3
106.65961	1.5
107.08563	1.6
109.10153	86.1
111.08108	2.2
119.08589	3.4
133.25169	1.7
137.77341	1.4
148.06316	1.5
155.10707	1.5
173.11722	23.4
190.10803	1.6
191.18105	1.8
229.14362	60.7
239.87012	1.5
258.11499	1.5
266.06805	1.7
313.27313	72.4
313.30872	2.8
330.83685	1.6
467.37259	39.0
521.85571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2926
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
52.62275	0.6
53.00288	0.8
53.03934	3.7
55.01869	7.4
55.05506	16.5
57.03432	17.7
57.07063	3.9
64.28075	0.8
65.03925	3.7
67.05495	56.9
69.07053	16.8
73.02895	3.4
78.91679	0.8
79.05478	46.5
81.07040	41.6
83.04958	3.1
83.08607	3.9
85.06533	1.4
91.05462	53.7
92.08727	1.2
93.07023	39.5
94.15027	0.8
95.04956	6.8
95.08587	30.7
97.06513	6.7
97.10165	0.8
98.06046	1.4
98.98456	1.0
99.08115	0.8
105.04491	1.1
105.07015	33.3
107.04916	0.8
107.08578	15.1
109.06484	1.6
109.10168	6.3
109.87568	0.8
111.76752	0.8
117.07011	13.8
119.07715	1.1
119.08562	25.3
121.10161	10.1
123.08053	1.8
123.11711	1.1
128.06189	1.2
129.05466	10.9
129.06958	6.6
131.08533	9.7
133.10112	11.2
135.08047	1.3
135.11688	1.9
137.09534	0.8
143.08524	3.7
145.10112	6.3
147.11687	6.4
149.09567	0.8
149.13184	0.9
157.10114	5.5
159.11691	1.3
161.13251	3.7
169.09993	0.8
171.11668	4.7
173.13211	0.9
175.14891	1.1
189.16399	1.0
203.17871	10.9
256.66797	0.8
269.22577	4.6
314.45935	0.8
330.27808	1.2
361.27316	100.0
462.23993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01859	3.9
57.03426	3.8
61.02916	4.2
69.03411	21.8
81.03392	13.9
85.02892	70.4
94.88673	2.9
97.02859	20.5
99.04434	4.4
101.48293	3.0
107.04922	7.4
107.35754	2.7
109.02853	4.8
119.04916	5.6
123.04424	4.1
127.03905	18.7
131.04909	18.5
133.02837	17.9
133.06465	17.0
135.04381	6.4
145.04916	5.7
147.04408	38.9
149.05980	5.2
159.04327	4.8
161.02255	14.1
161.05960	36.2
171.04369	5.6
177.05429	4.1
179.03426	11.3
187.03911	18.7
188.83708	3.1
189.05417	84.9
199.03906	13.4
217.04927	81.5
263.05457	100.0
271.81976	3.0
305.06696	4.4
323.07578	94.2
340.10361	3.5
341.08563	3.5
345.01654	4.0
502.15240	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	502.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53985	0.1
54.61089	0.1
57.13874	0.1
66.88762	0.1
68.46100	0.1
69.03391	0.2
77.03923	0.2
79.05447	0.4
85.02859	0.2
89.03905	0.3
91.05438	0.2
93.07027	1.0
97.02912	0.2
98.97531	0.2
102.77023	0.2
103.05449	5.3
107.04926	1.3
112.58260	0.2
117.03365	0.6
120.08083	100.0
121.08423	0.7
131.04903	2.6
135.04398	1.1
139.07480	0.3
145.02838	0.9
146.03207	0.2
149.05959	1.9
163.03859	3.3
164.04224	0.2
166.08601	28.3
189.63466	0.2
199.06104	0.2
235.97749	0.2
252.97873	0.2
275.97009	0.3
477.20239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81833	0.7
55.01845	1.0
55.05499	2.1
64.78793	0.4
65.03927	0.7
67.05492	2.4
68.99786	1.0
69.03410	1.0
69.07051	2.0
69.39468	0.4
71.04985	0.6
79.05468	1.0
81.03392	0.6
81.07027	2.8
82.07471	0.5
83.04955	1.1
85.02898	0.6
91.05438	0.9
93.07025	1.0
95.04939	0.8
95.08556	2.5
97.06494	1.0
100.21243	0.5
105.07011	0.8
107.08625	0.6
109.10156	0.9
111.04452	5.4
119.08564	0.7
121.10114	0.9
122.03598	1.0
123.04416	5.3
127.03909	1.1
129.06989	0.5
131.04901	0.6
131.08557	0.9
135.04335	0.8
135.08037	0.9
137.02336	1.0
137.05963	12.2
139.03888	100.0
141.06967	0.5
147.04495	0.5
149.05946	0.7
149.09592	0.6
151.03909	0.5
153.05429	0.9
157.06491	0.7
160.05161	0.6
161.05946	4.3
163.03888	8.3
169.06363	0.8
173.05984	6.1
173.13208	0.6
175.07541	0.7
177.05437	0.6
179.03348	1.2
179.06999	0.6
181.06404	0.9
185.05945	2.0
187.07605	3.5
195.08017	0.7
197.05936	2.1
199.07544	4.0
201.05463	0.5
201.09012	1.9
203.07027	0.6
211.07547	1.1
212.04750	0.6
213.05457	1.0
213.09105	1.1
215.06960	1.1
221.06041	0.6
223.07552	0.7
227.06929	0.7
227.10458	0.6
227.15265	0.5
231.06508	2.0
245.07936	0.9
313.06961	0.9
315.15945	3.6
327.15863	0.8
339.16028	1.1
357.16989	1.1
377.10196	2.5
400.82132	0.5
447.18170	1.0
456.66357	0.5
465.19238	0.8
501.15512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2117
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
55.01850	2.2
55.05499	2.1
65.79733	0.5
67.05488	2.7
68.99773	1.2
69.03419	0.9
69.07055	1.1
79.05477	1.2
81.03410	0.9
81.07038	3.7
83.04964	0.7
85.02902	0.7
86.06259	0.5
89.05761	0.4
91.05463	2.6
93.03386	0.5
93.07008	0.7
95.04939	0.7
95.08582	1.0
97.02899	1.1
97.06521	1.0
105.07011	1.1
107.04946	0.7
107.08593	0.8
109.10120	0.5
111.04432	5.4
119.08540	0.8
122.03638	0.9
123.04447	4.6
127.03880	0.9
129.07045	0.6
131.04921	0.7
133.10191	0.8
137.02309	3.3
137.05956	15.4
139.03888	100.0
141.06982	2.0
143.08615	0.6
145.10072	0.6
147.04402	1.0
149.05980	1.0
151.03889	2.7
153.06970	1.1
161.05968	4.2
163.03877	8.2
165.07018	1.0
169.06450	3.3
173.05966	7.5
175.07491	1.1
177.05460	0.6
179.03378	1.2
181.06445	1.0
184.05246	0.6
185.06001	2.8
187.07570	4.3
189.05475	0.8
195.08086	0.7
197.05998	4.9
198.06767	0.6
199.07549	3.4
201.05566	0.8
201.09094	3.4
207.80151	0.5
209.06010	0.8
211.07535	1.1
213.05440	2.8
213.09053	1.2
215.06941	1.1
221.05899	0.8
225.05379	0.6
231.06551	2.2
239.06876	0.7
241.05032	0.7
243.06462	0.8
245.08067	3.0
249.05470	0.7
253.04871	0.6
255.06406	1.3
267.06409	2.6
268.07367	0.7
311.16370	0.7
315.15900	2.9
321.07730	0.5
339.15958	2.7
357.16879	1.1
363.08429	1.1
377.10208	3.0
391.11871	2.3
465.19293	1.1
501.15164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.21117	0.1
54.82008	0.2
55.22025	0.1
56.96551	0.8
57.86877	0.1
62.62936	0.1
69.03400	0.7
71.58911	0.1
80.05000	14.6
81.05776	0.3
82.25410	0.2
84.96082	0.2
85.02903	0.3
106.06548	0.4
123.04414	1.0
124.07571	100.0
125.07896	0.7
127.03862	0.7
130.22417	0.2
135.04306	0.4
139.03876	1.3
147.04344	0.2
163.03889	1.0
188.08232	0.4
197.01251	0.3
198.99156	0.2
229.00436	0.2
231.06477	0.2
237.00861	0.4
287.05414	0.7
303.08459	0.3
304.08966	0.4
322.13782	0.4
333.02777	0.2
385.05927	0.3
412.95441	0.2
448.07025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05507	3.9
57.03431	9.4
57.07054	0.5
58.06594	30.3
59.07373	11.8
60.08157	10.1
67.05475	2.3
69.07048	4.2
73.02900	0.7
75.04468	4.6
79.05476	0.7
81.07018	2.5
83.08598	2.7
84.08120	0.5
85.02880	2.0
85.27509	0.4
87.04450	6.1
92.08645	1.5
93.07011	0.8
95.08555	2.5
97.10133	0.6
103.03920	0.5
105.05524	0.7
107.08582	0.4
113.06034	0.5
131.07005	0.9
144.10182	8.1
162.11220	5.1
185.51912	0.4
218.13860	0.6
232.49059	0.5
236.14902	100.0
237.15410	0.5
482.38290	15.5
500.39380	52.0
501.39606	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	501.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05510	1.1
58.09444	0.5
62.49784	0.5
65.03919	0.7
67.05492	2.9
68.99767	2.6
69.03402	1.2
69.07038	1.8
79.05474	2.6
81.03384	1.0
81.07035	3.6
83.04971	1.3
83.08582	0.9
85.02911	0.9
91.05476	3.1
93.03413	0.6
93.07005	2.2
94.04195	0.9
95.04948	2.4
95.08591	2.1
97.02893	1.0
97.06482	1.3
105.06989	1.2
107.04935	2.4
107.08586	1.1
109.06435	0.5
109.10136	0.9
111.04423	6.0
115.05483	0.6
119.08567	1.3
121.10100	1.0
122.03629	6.0
123.04407	10.1
127.03866	4.0
129.06955	1.1
131.04919	0.5
133.02823	2.2
133.10110	0.9
135.04393	0.8
135.87941	0.5
137.02335	5.9
137.05962	39.8
139.03885	100.0
141.06982	2.5
144.76164	0.6
147.04411	0.8
147.11664	0.6
149.05920	0.6
151.03922	2.2
151.07588	0.6
153.06926	0.7
155.08543	0.8
157.06450	2.2
161.05960	4.6
163.03842	8.7
165.06924	0.9
169.04997	0.6
169.06480	3.3
173.05963	9.3
175.03827	0.6
175.07550	2.3
179.03322	0.9
181.06441	2.4
182.85602	0.6
184.05132	1.0
185.05978	5.6
187.07524	4.5
189.05447	0.8
197.05940	6.8
198.06673	1.0
199.07455	3.8
201.09119	2.8
211.07516	2.8
212.04630	1.0
213.05376	3.8
213.09097	0.6
215.06967	1.3
221.05972	2.3
225.05463	3.1
226.06267	0.6
227.07028	0.6
231.06436	4.5
239.06857	2.1
241.04962	2.2
243.06467	2.4
244.07401	0.8
245.07986	6.6
250.06343	0.6
253.04855	0.7
255.06454	3.0
258.08914	0.6
259.09668	0.9
263.06799	0.8
267.06519	2.9
269.08240	0.6
285.09064	1.1
285.14648	0.6
289.08499	0.8
292.07568	0.6
313.08459	0.6
315.15881	3.5
317.08087	0.7
327.15759	1.0
339.15979	1.0
345.07626	2.4
357.16879	0.9
359.09015	1.1
363.08499	1.3
377.10071	4.1
378.10980	0.9
391.11725	3.9
471.12979	0.6
501.15393	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	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10292	0.1
53.03936	0.2
53.43478	0.1
55.01865	0.1
57.03428	0.1
58.86666	0.1
61.02925	0.2
61.28260	0.1
64.53532	0.1
65.03915	0.1
69.03417	1.0
79.05466	0.2
81.03385	0.5
81.07043	0.5
85.02889	1.6
91.05452	0.6
93.85903	0.1
94.04171	1.3
95.04971	0.1
96.04543	0.1
97.02860	1.5
99.04443	0.2
103.05463	1.0
105.62931	0.1
107.04959	0.3
109.02868	0.2
117.03391	0.2
119.04910	0.3
122.03623	5.2
124.07553	0.2
128.07051	0.1
131.04906	2.3
135.04414	1.0
137.05957	100.0
138.06302	0.5
140.07011	0.6
145.02829	0.8
147.04396	0.8
149.06015	0.4
151.07486	0.3
153.06966	0.3
158.08102	0.8
161.06032	0.2
163.03876	5.3
163.07513	5.6
164.04210	0.1
165.07124	0.2
176.09119	0.2
181.04944	0.2
181.06430	0.5
193.06418	0.5
213.09116	0.2
221.05997	0.5
225.09016	0.5
253.08577	1.3
273.11365	0.2
285.11075	0.6
341.08481	0.2
482.16309	0.5
500.17578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36275	0.4
64.33700	0.5
67.60780	0.4
68.34673	0.4
74.02412	0.5
91.05431	0.8
115.05405	0.6
117.06981	1.1
118.06512	21.2
130.06473	2.6
132.08054	7.4
137.05954	0.9
142.06476	1.1
143.07272	2.1
144.08072	19.7
145.80627	0.5
146.05984	90.0
159.09135	8.5
160.07619	1.1
163.03854	0.6
170.05969	5.5
188.07028	100.0
189.07280	0.7
205.09689	28.7
205.11629	0.9
420.82471	0.5
426.73529	0.6
499.14395	0.6
522.91815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40152	1.1
53.03944	3.4
55.01871	3.8
55.05504	15.5
57.03431	6.5
59.82537	1.3
59.99101	3.5
61.02920	15.3
61.72541	1.8
69.03423	26.1
71.04975	3.1
72.08138	9.8
73.02921	2.9
73.06540	60.7
73.06951	2.0
81.03409	16.8
81.07045	2.2
85.02890	100.0
85.07680	1.6
87.04467	2.2
87.38815	1.6
91.03968	6.3
91.05462	3.2
93.07028	2.3
94.04205	1.4
95.04942	2.9
97.02862	32.1
99.04449	7.3
103.05503	1.9
105.07030	3.7
107.04958	1.9
107.08611	2.6
108.43526	1.4
109.02875	11.6
111.04402	5.5
112.04794	2.2
115.08707	9.2
116.60112	1.7
119.04894	1.7
121.06485	2.7
122.06004	53.6
127.03902	15.3
132.04764	89.5
133.10150	2.5
137.05968	15.4
141.06645	1.6
145.04979	14.9
147.04480	3.6
151.07538	3.5
157.13356	3.4
161.05997	10.2
161.09601	2.3
163.03816	2.7
163.07515	2.8
166.56152	1.7
172.95219	1.9
175.05383	3.5
175.07338	1.6
181.12317	1.5
189.09137	6.6
207.10077	1.8
217.10098	10.4
224.04837	2.1
260.36893	1.9
283.15344	2.4
284.15668	2.4
301.16290	2.9
302.16824	2.4
331.15393	9.3
379.15265	32.8
500.20425	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	499.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.06300	0.4
61.02944	0.4
67.58881	0.3
69.03402	2.6
79.05465	0.5
81.03376	0.7
83.04977	0.4
85.02884	2.0
89.03896	6.6
95.04945	3.7
97.02859	1.7
98.67216	0.5
107.04946	3.1
111.04429	0.8
117.03355	8.6
119.04913	0.6
127.03867	0.8
135.04388	25.9
137.05905	3.0
145.01686	0.6
145.02820	17.6
162.93179	0.4
163.03865	100.0
164.04309	0.5
181.04861	1.9
273.27576	0.5
278.77493	0.5
291.23880	0.4
297.38626	0.4
319.07983	0.7
325.08810	0.6
390.41861	0.4
391.25494	0.4
455.15164	0.6
486.35962	0.5
499.13956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2151
Annotation	Conivaptan
Peak:m/z	Relative Intensity
56.96558	1.3
58.93402	0.5
69.03419	1.1
70.06566	0.9
72.64682	0.6
74.35528	0.6
80.04986	1.4
81.07019	1.1
85.02883	0.9
92.09332	2.0
95.08588	0.7
99.08044	1.0
105.07052	1.1
111.14376	0.7
119.08566	1.6
124.07567	8.2
131.01758	0.7
133.10085	4.5
135.11647	1.0
137.05948	1.1
147.03249	0.9
159.14589	0.8
161.05975	1.0
163.03864	0.8
168.50899	0.6
174.10007	0.8
219.01735	0.9
221.05061	1.4
233.15056	0.9
237.02733	1.1
245.06322	1.3
251.16154	4.7
289.05310	6.3
293.15952	3.0
305.15991	0.9
377.18283	1.1
381.15219	3.1
395.19623	5.6
413.21106	10.5
419.20251	3.1
425.14005	5.7
437.20886	5.7
455.22391	13.8
463.19315	7.0
481.20358	12.0
499.21390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.1
57.07070	57.0
59.04992	1.2
69.07063	1.7
70.50146	0.9
71.08622	31.1
73.06551	7.8
76.56313	1.0
83.08630	1.2
85.10172	23.9
87.04471	4.7
89.06018	100.0
97.10166	1.9
99.11707	1.9
107.07094	3.3
117.09141	2.2
133.08586	33.4
133.49701	1.0
134.50212	1.0
155.17957	2.2
177.11151	11.0
198.29674	0.9
199.20650	2.0
221.13919	2.0
227.81393	0.9
236.15030	1.3
239.14934	1.6
243.23157	8.6
264.09952	0.9
287.25882	6.5
288.91983	1.0
327.20120	11.3
441.05557	1.1
481.37393	30.0
485.22244	1.0
498.32358	1.1
498.39355	2.1
510.29843	1.0
516.72986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
55.05513	4.9
57.03427	8.1
57.07039	0.4
58.06592	42.5
59.04993	0.5
59.07373	14.7
60.08155	11.8
67.05492	11.9
69.07054	3.9
69.61797	0.4
73.02877	0.7
75.04460	4.0
79.05469	3.9
81.07037	11.8
82.24092	0.5
83.08643	1.3
84.08128	0.5
85.02859	2.3
87.04443	4.3
89.06034	0.7
91.05444	2.0
93.05508	0.5
93.07024	3.6
95.08581	7.5
103.03897	0.5
105.05447	0.6
105.07002	0.9
107.08571	1.6
109.10131	2.6
113.05978	0.6
123.11665	0.6
131.06990	1.0
133.10115	0.6
144.10178	10.0
162.11218	2.3
166.05724	0.4
188.96744	0.4
218.13922	0.5
236.14890	100.0
275.31573	0.5
278.00562	0.4
340.93362	0.6
388.82089	0.5
436.37857	0.7
440.56912	0.5
480.36783	17.2
498.37830	77.8
499.38116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32660	0.4
50.91826	0.4
55.05477	2.7
57.03434	7.5
58.06593	29.5
59.07374	12.7
60.08156	11.1
67.05499	5.9
69.07012	2.5
71.06240	0.5
73.02893	0.6
74.27763	0.4
75.04460	4.4
79.05459	1.2
81.07041	4.6
85.02870	2.0
87.04459	7.3
91.05442	0.5
91.65106	0.5
93.05441	0.5
93.07031	0.9
95.08535	3.0
103.03902	0.8
105.05467	0.7
105.06979	0.6
105.92028	0.7
107.08544	0.6
109.10121	0.6
113.57468	0.5
114.88551	0.6
131.06973	2.2
144.10176	8.7
145.45619	0.5
159.11838	0.5
161.62926	0.4
162.11206	3.5
184.07405	0.7
187.98167	0.5
236.14891	100.0
237.15083	0.9
480.36661	14.4
498.37860	57.2
499.37756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39021	0.9
52.34255	0.9
53.03718	0.9
53.03938	8.9
53.04145	1.0
54.67568	0.9
55.01864	9.8
55.05514	9.9
57.03433	8.0
57.07068	14.9
59.04715	1.5
59.04992	38.9
61.02906	11.0
67.05492	7.2
68.99783	1.8
69.03416	47.0
69.07056	49.2
71.04980	7.6
71.08614	8.9
73.02908	8.4
73.03242	1.0
73.06547	15.9
79.05461	1.8
81.03403	38.7
81.07031	7.3
83.01364	1.1
83.08600	1.7
85.02894	100.0
85.06523	1.3
85.10159	1.8
87.00813	60.2
87.04470	11.9
88.56997	1.1
93.07050	1.7
95.04942	1.3
95.08595	5.7
97.02869	61.2
97.10136	1.7
99.04436	12.7
105.01152	2.2
105.01847	52.5
105.05500	12.2
107.08594	2.1
109.02855	35.3
109.10147	2.3
111.11703	42.4
117.01810	4.9
123.04300	1.3
123.11646	2.1
127.03895	59.9
129.01802	4.3
129.11766	2.2
129.12730	63.0
133.10121	1.8
134.05960	10.6
134.99580	1.2
145.04970	23.1
159.02878	14.9
178.05014	7.0
192.22215	1.0
213.03944	4.5
215.16412	2.6
231.04941	19.1
233.17517	1.9
249.06012	7.9
269.17343	2.6
273.08658	1.3
292.21188	1.3
301.11664	11.2
319.12891	1.3
385.16849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
53.16008	1.1
55.01865	9.5
55.05502	8.7
57.03424	7.1
57.07069	13.5
59.04990	37.2
59.06863	1.0
61.02911	9.9
64.06844	0.8
67.05484	4.5
68.44691	0.9
68.99768	5.2
69.03421	42.4
69.06714	1.8
69.07058	38.4
71.04977	7.5
71.08611	4.9
72.82924	0.9
73.02900	8.4
73.06194	1.5
73.06543	16.3
77.26022	1.0
81.03404	33.0
81.07027	5.5
83.08605	1.7
84.16814	1.1
84.81728	1.0
85.02892	100.0
85.06563	1.0
85.10192	4.9
87.00816	56.5
87.04449	13.2
91.28480	1.0
95.08624	2.1
97.02877	55.1
99.04430	16.2
101.02352	1.6
105.01850	49.1
105.05480	15.8
107.08590	1.5
109.02866	34.6
111.11705	36.4
117.01852	4.7
127.03900	53.0
129.01843	2.1
129.05515	1.2
129.12741	63.1
137.05911	1.1
145.04921	17.0
159.02892	11.4
213.03932	1.4
217.05093	1.1
228.79776	1.2
231.04990	18.6
249.06067	9.7
269.17584	1.9
359.17154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.5
55.05497	3.9
57.03427	5.6
61.02912	4.4
67.05497	21.0
69.03398	1.5
69.07053	2.8
71.04971	3.0
79.05474	9.2
81.03385	1.5
81.07040	10.6
83.04968	27.9
83.08597	3.2
85.02895	7.3
85.06497	2.5
91.03917	0.8
91.05455	4.2
93.07023	19.3
95.04946	3.6
95.08562	5.4
96.10736	0.7
97.02863	1.3
97.06500	6.6
97.10125	0.9
99.04420	4.6
99.08072	1.5
101.02338	0.8
101.17049	0.6
105.06995	1.5
107.04919	3.8
107.08593	10.8
109.02888	0.7
109.06458	1.0
109.10142	11.9
109.73630	0.6
111.04431	76.4
111.08070	23.5
117.06982	3.7
119.08527	7.4
121.06487	2.6
121.10119	15.2
125.05971	2.4
125.09612	0.9
127.03928	1.0
129.05424	0.7
129.06987	1.1
131.08543	9.1
135.10654	1.2
135.11673	25.4
137.05984	0.9
145.10121	15.0
147.08018	0.6
147.11667	3.9
149.09604	7.8
153.12726	35.1
155.08516	3.2
163.11160	49.0
173.09610	10.1
181.12204	57.4
191.10640	44.3
192.10777	0.6
203.66057	0.6
209.11702	10.5
227.12752	44.7
234.17496	0.7
266.67450	0.7
283.15369	64.9
301.16418	100.0
302.16696	0.7
463.21542	1.4
514.14703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01864	8.0
55.05494	3.9
57.03419	4.4
61.02903	4.1
66.97208	0.6
67.05495	18.8
69.03409	1.2
69.07048	4.5
71.04961	2.7
73.02908	0.9
78.77386	0.7
79.05483	8.2
81.03390	2.7
81.07036	11.6
83.04969	21.2
83.08594	4.5
85.02896	7.7
85.06512	3.0
91.03945	1.5
91.05460	5.9
92.08695	1.3
93.07027	12.6
95.04945	2.8
95.08601	7.2
97.02880	2.9
97.06499	7.5
99.04444	3.7
99.08058	1.4
105.06981	3.9
107.04930	1.6
107.08582	8.4
109.06528	1.4
109.10140	10.2
111.04431	62.0
111.08076	17.2
117.07005	1.6
119.08587	6.3
121.06489	1.2
121.10128	16.1
124.07607	1.3
125.05965	1.5
127.03825	0.8
129.05466	1.1
129.06981	0.8
131.08553	6.0
133.10114	1.0
135.11679	19.4
136.06174	5.5
137.09610	1.1
145.10114	17.1
147.11667	2.6
148.06200	1.1
149.09593	7.5
153.12733	28.6
155.08472	1.6
161.13205	0.6
163.03947	0.9
163.11159	38.9
173.09604	9.2
181.12212	45.8
191.10645	35.4
191.12379	1.4
204.12457	1.2
209.11728	9.0
227.12755	37.6
250.15404	0.8
283.15363	100.0
301.16412	60.6
498.20197	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44660	0.8
55.01852	1.0
55.05501	2.2
58.18106	0.8
67.05485	4.5
69.07055	1.7
74.37770	0.9
79.05479	4.3
81.03400	1.4
81.07038	4.7
83.08614	1.3
85.02908	1.6
91.05470	2.5
92.64865	1.0
93.07037	4.3
94.06554	8.5
95.04900	1.2
95.08585	3.9
97.06487	1.1
105.07015	1.4
107.08599	1.7
108.08122	1.1
109.10183	1.3
110.06033	4.1
119.08578	1.7
120.08107	2.1
121.06468	1.1
121.10093	2.0
122.06021	5.5
123.06809	5.3
123.08048	4.4
124.03945	23.5
124.07572	12.3
129.05458	1.6
129.41422	0.9
132.08075	1.1
136.07558	6.0
137.02301	1.4
138.09126	76.8
140.10698	2.4
144.08011	1.9
146.09674	1.6
147.09172	1.2
148.07584	6.9
150.05492	6.1
152.07085	2.5
164.10715	2.3
170.08253	1.1
170.09572	1.6
173.10760	2.4
174.09108	1.4
175.08704	1.8
176.07040	2.2
182.08070	2.0
184.07582	1.9
184.11275	2.4
185.07051	1.5
185.10693	10.9
187.08626	1.4
199.08606	1.6
200.09448	6.4
201.10204	19.1
201.13890	1.7
202.10915	1.4
203.08223	1.3
208.09567	2.2
210.09309	1.1
211.12164	1.0
212.09325	4.3
213.10260	19.3
213.13838	5.8
214.12372	8.0
215.11754	8.4
226.10713	1.2
227.07956	1.3
227.11926	1.5
228.08923	2.0
228.13846	1.2
229.09712	12.1
229.13356	6.5
231.13678	1.7
232.14174	4.0
239.11621	1.2
240.08737	1.4
241.09688	48.6
241.13333	67.8
242.10199	13.3
242.13924	1.6
243.11221	12.1
243.14998	5.3
251.11595	1.4
253.13416	1.5
255.11151	7.2
256.12054	1.7
257.09167	5.9
257.12781	8.3
269.09180	25.1
269.12653	4.7
271.10800	6.2
278.16473	1.4
283.10645	11.1
285.09106	1.5
285.12213	7.6
295.10715	2.1
299.13858	1.5
301.11722	16.8
301.16437	8.6
303.13446	6.5
307.18097	2.2
311.10233	8.9
313.11755	6.4
317.14899	7.2
329.11273	42.8
331.12726	7.2
331.17929	3.7
334.19177	2.5
335.17493	5.5
349.18616	1.1
359.17361	2.1
362.18451	5.4
363.16968	1.7
376.19846	1.6
377.18491	5.6
387.17062	1.9
390.18005	1.8
394.21143	11.8
404.19485	5.5
405.18170	8.5
422.20688	100.0
432.19098	1.7
440.21677	1.4
450.20145	28.8
451.27838	1.0
468.21219	95.3
469.21231	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	498.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
58.25863	0.7
63.51566	0.5
67.05480	1.0
81.07006	0.8
85.02889	1.0
93.07000	0.9
94.06553	7.7
95.08566	1.4
107.07380	0.9
108.08111	0.9
110.06033	2.8
116.01439	0.6
120.04453	1.0
120.08069	2.6
121.10114	0.8
121.37796	0.7
122.06015	3.3
122.09641	3.7
123.06777	3.0
123.08022	7.3
124.03931	14.5
124.07594	7.0
133.10158	0.6
134.05988	1.2
136.07562	6.6
137.02399	0.7
138.09122	44.8
140.10707	1.0
144.08064	1.4
146.05946	0.7
146.09573	0.8
147.09167	2.9
148.07541	3.8
150.05504	5.5
152.06955	1.9
154.08553	1.3
156.55016	0.6
159.09213	1.0
164.07077	1.2
164.10703	2.9
170.09637	0.7
171.09212	0.9
172.07610	0.8
173.10716	2.6
174.09123	4.1
175.08649	2.5
176.07123	0.9
176.10643	0.8
182.08076	1.4
183.09125	1.0
185.10747	6.5
186.07753	1.9
186.09218	1.0
187.08672	5.6
187.12283	1.0
188.10664	0.9
189.10283	0.7
192.10017	2.4
198.09128	1.4
199.08577	1.1
200.09355	5.8
201.10205	11.6
208.09714	1.0
212.07169	0.7
212.10904	0.9
213.10188	10.2
213.13814	4.1
214.12302	5.7
215.08260	1.2
215.11800	7.6
220.24287	0.6
221.76410	0.7
225.10233	1.3
226.12440	0.9
227.08083	1.2
227.11661	0.9
228.08942	1.0
229.09735	8.0
229.13312	6.8
239.11761	0.8
241.09668	26.9
241.13315	24.6
242.10141	6.2
242.13889	1.0
243.11197	11.9
243.14935	1.2
253.09523	0.8
254.10249	0.9
255.11272	3.9
257.09143	1.5
257.12860	6.3
267.11133	0.9
269.09253	7.3
269.12296	5.1
271.10626	2.9
271.14227	0.9
283.10715	9.4
285.12259	4.2
287.13977	1.2
287.95209	0.7
293.16406	0.9
299.13809	1.2
301.11761	14.5
303.13403	3.8
303.18649	0.9
307.17889	1.5
311.10223	3.7
313.11835	2.5
317.15024	1.4
329.11261	7.5
331.13062	0.9
331.18057	1.5
332.17715	1.0
333.19168	0.7
334.19073	15.2
335.17334	4.2
352.11850	2.1
359.17404	2.4
362.18558	10.6
363.17343	0.7
376.20215	3.7
377.18387	2.7
380.19595	6.4
384.37756	0.8
390.17914	1.4
394.21268	11.5
404.19788	6.3
405.17767	0.8
408.19037	0.9
422.20688	26.3
423.19696	0.7
432.19138	1.0
440.21655	12.7
450.20117	10.4
468.21213	100.0
469.21542	2.7
480.21127	3.0
498.22244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25489	1.4
60.07117	1.4
76.62043	1.4
77.35001	1.3
86.09683	1.4
91.05447	1.4
92.74886	1.4
103.28493	1.3
111.04501	1.4
118.06525	26.5
120.01053	1.4
132.08073	7.6
137.02333	13.3
138.02649	3.4
142.06473	1.7
143.07289	2.2
144.08073	20.6
146.05994	93.2
151.70724	1.4
153.84677	1.4
159.09227	5.9
170.05937	2.2
188.07039	100.0
205.09695	22.9
207.85970	1.7
355.64771	1.5
497.12521	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	497.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13483	1.1
56.07100	0.9
56.69329	1.1
75.05200	1.3
89.06010	13.9
92.09287	1.8
133.06232	11.5
133.08513	1.4
158.55424	1.2
161.09348	43.7
175.10918	2.9
179.10336	1.5
211.77089	1.5
219.09853	12.0
247.12964	11.7
254.24786	1.6
261.14645	1.6
262.15271	4.9
263.16150	34.1
283.17587	6.4
287.38269	1.4
313.44235	1.3
497.35974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49764	0.5
53.09391	0.5
55.01859	2.6
55.05499	2.9
56.38150	0.6
64.24470	0.6
67.05487	1.5
69.03407	0.8
77.77484	0.6
78.81168	0.6
79.05460	1.1
81.07024	3.5
85.02897	0.9
85.04015	1.1
91.05436	0.9
91.72788	0.6
92.08680	2.5
93.07034	1.3
95.08579	2.6
99.05555	3.5
106.06540	0.7
107.08554	0.8
109.02827	1.1
113.53531	0.6
118.06510	4.0
119.08581	0.7
137.02290	0.7
146.05984	12.6
150.03720	2.6
162.03748	0.7
164.07030	1.1
166.03198	2.5
167.65154	0.6
171.06804	0.8
172.07547	1.0
177.03256	0.8
177.07455	0.7
178.03142	8.7
179.03947	1.1
180.04845	1.1
180.06479	1.0
182.02681	1.0
189.02473	0.9
192.04790	1.0
192.06534	11.6
195.03535	1.5
196.04207	6.1
201.11530	0.6
212.03760	0.9
218.08316	0.7
223.02869	1.0
224.03712	18.7
230.08076	1.1
232.07773	0.8
232.11575	1.1
236.03722	1.1
238.05359	1.3
244.13318	1.1
245.10245	1.4
250.05356	1.4
258.14987	1.0
260.10870	5.8
262.12601	0.9
264.06787	2.8
272.12799	5.0
275.15076	3.1
276.10522	1.1
276.15912	5.4
278.08597	4.4
278.12045	3.5
290.11990	2.7
304.15366	1.4
306.11536	53.4
308.13116	6.1
322.16437	3.2
332.13205	1.3
336.12439	5.1
342.11578	0.7
352.12057	100.0
354.13651	7.1
359.14139	1.4
360.12555	2.6
377.14999	3.2
378.13385	0.9
388.11951	1.0
395.16138	3.1
406.12848	0.7
463.23889	0.8
480.17883	17.2
481.16309	11.6
497.18793	2.6
498.18994	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	497.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52452	0.8
67.05498	1.6
69.03421	8.1
69.07092	0.9
81.03412	2.4
81.07061	2.3
82.45624	1.2
85.02883	8.0
93.07047	1.4
95.04942	1.1
95.08633	1.6
97.02866	1.6
97.06528	1.0
98.06026	1.9
99.04441	1.5
101.40805	1.2
105.07066	1.0
107.08578	2.1
109.02853	1.5
109.06565	1.0
109.10126	1.8
112.15639	0.9
112.58395	1.2
114.24457	1.0
123.08009	1.5
123.11715	1.5
124.03965	2.0
127.03802	2.9
133.10078	1.7
136.07585	1.2
137.02359	2.4
138.05501	1.8
138.09128	12.9
150.05492	11.3
150.61482	1.1
154.08615	1.9
164.10735	1.9
164.58905	0.9
166.05008	1.8
168.06573	6.2
173.11139	0.9
185.04280	1.1
214.12302	4.0
241.13400	4.2
242.11778	4.0
245.06439	4.4
249.14638	4.5
259.14359	14.3
260.12854	4.8
269.13089	1.2
271.04266	1.4
287.13818	7.7
289.05399	8.4
305.14883	7.3
411.19925	7.0
421.19516	7.3
449.19250	4.5
453.21005	10.5
467.20184	15.5
497.19946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72599	0.8
64.33554	1.0
64.37901	1.0
67.05485	1.1
68.90408	0.9
69.03394	1.0
76.56546	0.9
79.05482	1.5
81.07066	1.5
82.49733	0.9
83.04980	1.6
90.04282	0.9
91.05469	1.9
93.07050	1.8
94.60485	1.0
101.24889	1.0
105.07019	2.5
107.08572	11.5
109.10154	1.4
119.08601	2.0
121.10159	5.3
133.10150	4.4
133.28241	0.9
135.08078	4.6
135.11710	1.2
137.02370	1.1
147.11752	1.0
148.76260	0.9
149.65327	1.0
158.10974	1.3
173.13306	1.8
191.14435	1.7
203.05307	1.9
225.03131	1.0
231.13565	1.9
245.06270	8.6
249.14600	2.1
271.04257	2.0
289.05237	49.8
337.10080	1.0
411.19901	4.2
423.12228	7.0
453.20844	11.4
465.12659	2.1
479.18723	7.7
496.15106	1.5
497.20047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05501	10.1
57.07067	21.0
62.43365	1.0
67.05492	6.2
68.64159	0.8
69.03413	1.0
69.07054	23.4
71.08617	17.4
71.19115	0.8
76.09512	0.8
79.05466	6.0
81.03397	2.2
81.07043	20.2
83.04969	1.5
83.08601	12.5
85.10168	11.9
87.04462	1.1
89.06017	21.1
91.05453	4.3
92.09332	2.7
93.07024	10.7
95.04938	1.6
95.08588	21.4
97.06521	1.3
97.10149	10.9
105.07012	13.2
107.04275	0.9
107.04931	8.7
107.08579	14.9
109.02865	4.6
109.06494	5.1
109.07585	1.0
109.10159	11.7
111.11701	5.5
119.08562	13.3
121.06487	5.1
121.10126	10.3
123.08022	1.1
123.11664	6.8
125.05959	1.3
129.06999	4.2
130.07771	1.1
131.08522	8.1
133.06442	4.6
133.08582	6.4
133.10110	16.7
135.08037	1.7
135.11656	8.0
137.06071	1.1
137.13248	3.6
141.06960	1.1
143.08568	8.4
145.06448	4.0
145.10121	11.0
147.08034	7.2
147.11679	11.1
149.13225	2.1
151.07535	1.2
155.08485	1.6
157.10130	7.5
159.11674	7.5
161.09552	6.5
161.13229	8.8
163.14769	1.6
165.09077	5.6
169.08640	1.5
169.10066	1.5
171.08063	5.4
171.11674	4.4
173.09573	1.3
173.13289	3.3
175.11192	3.6
175.14821	4.5
177.09138	1.1
177.11209	1.3
177.16414	1.9
183.11652	4.0
185.09610	1.0
185.13242	5.0
187.11102	1.7
187.14738	1.8
189.09082	12.1
189.12813	1.0
189.16270	1.3
191.10704	1.5
193.12236	1.1
197.13234	1.9
199.14813	1.7
201.12698	1.7
201.16335	1.8
203.10602	2.2
203.14119	1.3
205.12157	1.4
207.10175	1.7
211.14774	1.4
213.16371	1.0
219.13777	1.3
243.13771	1.2
247.13350	1.6
247.17082	1.0
261.18405	1.1
267.17480	1.3
271.16702	1.8
283.17477	12.3
285.18530	2.1
301.28815	5.0
313.21762	1.2
325.29056	1.2
327.23099	1.0
343.29813	3.9
383.32867	4.7
397.34900	1.7
401.34079	8.9
407.33063	3.7
415.35565	1.5
421.02286	1.0
425.34009	24.4
443.35110	100.0
461.36206	45.2
496.34549	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	496.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03428	9.6
58.06591	31.3
59.07369	13.6
60.07896	0.6
60.08157	8.3
63.98536	0.4
65.31220	0.5
67.05495	5.1
69.07043	1.1
71.26460	0.5
74.12602	0.4
75.04462	4.0
76.55875	0.6
79.05471	3.1
81.07042	3.0
85.02914	2.3
87.04449	5.7
91.05457	1.2
93.07005	3.0
95.08582	2.6
98.21403	0.5
105.05499	0.8
105.07035	0.9
107.08614	1.2
121.10170	0.6
126.98723	0.5
131.07042	1.3
137.54721	0.5
144.10190	7.7
162.05717	0.6
162.11176	3.8
236.14890	100.0
310.97311	0.5
376.14844	0.6
389.84195	0.5
478.35263	15.7
496.36258	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	496.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42010	1.9
55.05506	11.6
57.07067	19.7
63.20240	1.8
63.76031	2.0
67.05495	4.4
69.07053	22.8
71.08620	13.5
77.39784	2.2
79.05480	3.1
81.07034	17.5
83.08619	8.6
85.10169	8.7
89.06017	37.2
91.05462	2.8
93.07037	12.8
95.08562	18.4
97.10152	9.5
98.90386	2.1
105.07017	12.6
107.04964	13.0
107.08582	10.1
109.02881	3.1
109.06531	4.5
109.10143	9.9
111.11687	2.2
117.06958	2.2
118.64407	2.1
119.08561	12.7
121.10137	13.7
123.11697	4.8
123.54665	2.1
125.05941	2.5
131.08536	10.4
131.31418	2.0
133.08592	16.6
133.10129	14.3
135.11671	8.0
143.08531	5.1
145.10088	8.4
147.08025	3.1
147.11717	11.4
149.09691	2.1
157.10156	4.9
159.11687	8.5
161.09528	3.5
161.13263	11.3
171.08060	5.1
171.11589	3.2
173.13248	4.1
177.11230	3.1
185.13208	3.4
187.14890	3.7
189.09117	10.1
199.14774	3.0
207.10184	4.6
283.17416	22.3
285.18350	3.1
301.28714	4.7
401.34140	9.6
407.32877	2.9
425.34070	28.4
443.35117	100.0
461.36212	48.3
496.34705	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05021	0.8
57.03440	0.7
57.07063	5.0
58.06600	1.0
60.08152	19.8
63.02551	0.5
67.09709	0.5
71.07356	8.4
71.08612	2.3
77.11443	0.6
80.49512	0.5
81.07053	0.8
82.61195	0.6
86.09691	71.9
95.08574	1.0
98.98444	4.2
104.10727	90.1
124.99981	42.1
130.67181	0.6
177.04179	0.6
184.07312	100.0
198.55351	0.5
313.27460	2.1
426.90005	0.6
478.32895	8.9
496.33914	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.03910	0.7
55.01850	0.4
55.05509	4.0
57.03428	9.2
58.06590	51.3
59.07369	17.6
60.08150	15.0
67.05489	10.5
69.07022	2.8
70.61354	0.4
73.02895	0.5
74.09663	0.6
75.04462	5.5
79.05476	9.1
81.07039	8.8
83.08585	0.9
84.08099	0.6
85.02866	2.9
86.09647	0.5
87.04456	6.8
91.05466	4.1
93.07027	8.3
95.04917	0.7
95.08583	5.6
97.06521	0.5
102.05492	0.6
105.05450	0.5
105.06992	2.0
107.08570	2.7
109.10133	1.0
117.06998	0.7
119.08552	1.8
121.10090	2.6
127.86344	0.4
131.06998	2.7
131.08517	0.9
133.10060	0.8
134.16074	0.4
135.11710	0.6
144.10181	10.3
145.10052	0.5
162.11200	2.2
199.76205	0.4
201.30150	0.4
236.14886	100.0
237.15225	0.5
391.28146	0.6
434.36636	0.7
478.35202	16.4
496.36243	82.2
497.36423	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19106	1.1
53.03931	3.2
55.01863	8.5
55.05503	6.1
57.03434	10.2
57.07075	2.6
59.30523	1.0
60.83273	1.4
61.02916	7.2
67.05501	3.3
68.99779	1.3
69.03417	44.5
69.07055	9.1
69.70684	1.3
71.04983	7.2
72.18206	1.4
73.02897	7.8
77.35658	1.3
79.05483	2.2
81.03400	25.9
81.07030	10.1
82.23588	1.4
83.04967	2.3
83.08615	3.1
85.02896	100.0
85.06547	6.7
86.03226	1.4
87.00813	46.9
88.01159	1.5
91.05456	5.4
93.07023	19.1
95.04966	1.6
95.08594	14.6
97.02867	36.1
99.04441	15.3
99.08082	2.4
105.01853	41.4
105.07023	3.0
107.08598	15.1
109.02874	30.6
109.10146	12.9
110.10463	2.1
114.38370	1.5
119.08632	10.1
119.09396	1.6
120.08907	1.9
121.10112	29.4
122.10452	1.4
123.08027	1.4
123.11669	2.6
125.09627	2.9
127.03899	56.2
129.01764	1.6
133.10103	14.3
134.10463	7.6
135.10788	1.7
135.11673	11.2
136.11986	1.7
137.02313	2.8
137.05951	2.3
137.09596	2.1
139.11143	2.8
145.04951	14.8
147.04381	2.6
149.09637	1.6
159.02907	8.7
163.04005	1.8
167.10645	2.3
168.43060	1.5
175.14870	10.1
176.15175	4.9
177.16417	18.0
193.15898	8.1
194.16145	5.7
195.10202	1.7
195.17505	13.8
211.16882	4.6
212.17308	1.9
213.03961	2.5
213.11121	1.6
213.18501	2.7
231.04912	16.5
249.06061	7.5
385.70099	1.4
407.21271	1.6
443.23065	1.7
464.12686	2.0
496.14670	8.1
497.20059	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05019	0.2
57.03435	0.3
57.07071	1.4
58.06606	0.6
59.73246	0.1
60.08152	8.8
67.05482	0.4
68.16307	0.1
69.07063	0.3
70.06566	0.1
71.07358	3.3
71.08614	0.9
73.85574	0.1
76.71779	0.1
81.07035	0.9
83.08598	0.2
84.99300	0.2
86.09690	43.3
95.08585	0.4
98.98441	2.9
104.10722	3.7
109.10176	0.6
118.10414	0.2
124.99980	32.1
143.01060	0.3
181.92982	0.1
184.07309	100.0
201.60509	0.1
236.14874	0.7
248.33971	0.2
273.61798	0.2
281.28320	0.2
313.27335	0.3
431.71765	0.2
478.32599	1.2
496.33875	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.2
53.03942	1.5
54.81390	0.2
55.01863	0.5
55.05501	0.9
57.03425	1.8
57.07074	2.1
60.04509	0.2
61.02913	3.8
63.22604	0.2
65.03947	0.2
67.05491	4.7
69.03419	6.7
69.07055	3.9
71.04984	0.9
73.02903	1.5
79.05470	6.9
81.03410	2.6
81.07040	100.0
82.07373	0.5
83.01339	0.2
85.02891	36.9
85.06540	0.3
87.04447	0.4
91.03928	1.7
91.05488	0.2
93.07037	1.4
95.04899	0.2
95.08585	20.2
97.02875	9.2
97.06494	0.3
99.04437	1.8
101.02326	0.2
103.03922	0.2
107.08581	1.0
109.02871	3.1
109.10172	2.3
114.36156	0.3
119.08556	0.2
121.10086	0.4
123.11691	0.4
127.03893	9.1
135.11656	0.4
137.02333	1.0
137.06004	0.2
137.13240	14.3
145.04942	12.1
145.10104	0.3
163.03944	0.4
163.05983	5.9
174.89467	0.2
213.14691	0.2
248.09866	0.2
260.08374	0.2
282.93311	0.3
325.11273	2.2
371.41385	0.2
496.14896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.81694	0.1
55.01878	0.4
55.05496	0.2
57.03433	1.2
57.07037	0.1
61.02902	0.3
63.02359	0.1
65.54785	0.1
69.03415	3.9
69.07047	0.3
71.01333	0.2
71.04981	0.3
73.02905	0.3
79.05464	0.8
81.03399	2.0
81.07027	0.5
85.02893	5.1
85.06503	0.1
87.00828	1.3
87.04449	0.2
87.72004	0.1
88.71474	0.1
89.03902	3.0
91.05475	0.2
93.07037	0.3
95.04936	0.3
95.08574	0.6
97.02258	0.3
97.02876	6.8
97.06496	0.2
99.04429	0.9
101.02383	0.2
105.01848	1.5
107.04949	1.9
107.08585	0.3
109.02867	1.2
117.03369	6.4
119.04871	0.2
121.10133	0.7
127.03899	2.7
135.04398	15.8
135.11690	0.6
137.02318	2.0
137.05902	0.2
145.02835	13.6
145.04980	0.7
147.04462	0.5
153.09076	0.2
163.03880	100.0
164.04236	0.7
177.16342	0.7
181.04916	0.8
195.17464	0.7
213.18465	0.2
231.05063	0.6
249.05997	0.3
307.08118	0.8
325.09128	9.6
325.12994	0.3
336.76404	0.2
443.06366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01868	3.6
55.05506	17.1
57.07058	2.4
64.33181	1.7
64.46945	1.4
65.34727	1.3
66.60480	1.5
67.05493	16.5
69.03406	5.9
69.07058	8.3
71.01334	2.6
71.04985	1.3
71.19817	1.7
73.31680	1.2
74.88043	1.3
75.59817	1.4
79.05473	9.8
81.03404	2.5
81.07039	20.7
83.04958	2.1
83.08585	3.2
85.02888	6.8
85.06579	1.6
91.05460	8.6
91.27461	1.5
92.08582	3.1
93.07032	10.5
95.04963	2.7
95.08576	11.6
105.06985	3.5
107.04900	1.5
107.08565	3.4
109.02859	2.1
109.10139	2.9
115.05435	2.4
117.07027	1.8
119.08553	3.6
120.04488	1.6
121.10094	2.3
123.04430	1.9
123.11703	1.9
127.03893	1.6
129.06984	6.8
131.04889	2.5
131.08511	2.1
133.06512	1.5
133.10089	3.0
135.11694	3.3
141.07019	2.0
143.04941	1.6
145.06499	2.7
145.10101	1.9
153.06952	2.2
155.04938	2.2
157.06462	2.7
157.10010	2.1
159.08005	1.6
161.05954	17.3
163.03912	11.4
163.11156	3.0
165.05498	1.6
167.04878	1.8
167.08554	2.4
169.06503	6.7
173.05952	100.0
173.09525	2.8
175.03812	3.4
175.07513	6.6
177.69513	1.3
181.06476	10.4
183.08015	2.6
185.06039	7.1
187.07478	18.2
189.05447	5.8
189.08975	1.8
191.10715	1.9
195.08090	3.5
197.06003	12.8
199.07513	26.4
201.05423	40.8
211.07483	10.2
213.05472	19.6
213.09103	9.6
215.06990	13.0
217.04930	88.7
223.07510	2.1
225.05424	8.7
225.09032	2.5
226.06233	2.2
227.06955	14.9
229.04942	21.6
229.08635	2.9
237.08958	1.8
239.06935	2.2
241.08543	1.8
243.06490	3.5
243.37259	1.7
249.12656	2.1
264.56006	1.5
267.13724	9.9
281.15198	2.1
283.13293	2.1
285.14627	1.9
291.13660	2.7
293.11765	2.0
299.16376	1.8
309.14908	6.6
311.12729	12.7
313.14261	17.5
319.13351	2.6
327.15845	6.8
329.13785	61.9
337.14224	15.5
355.15332	57.6
371.14795	2.7
373.16345	20.0
377.91736	1.6
420.38419	1.5
461.17877	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	495.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23090	2.3
54.86820	2.2
57.07071	2.8
68.30041	3.0
77.73328	2.9
79.05511	2.6
85.02890	3.6
109.10128	4.1
112.86039	2.8
123.08041	6.2
158.77806	3.0
223.84753	2.7
226.55893	3.1
445.81406	3.8
477.34570	3.4
495.34344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.9
57.07068	32.7
60.89988	2.2
66.68191	3.1
67.05508	4.1
68.33206	2.4
69.07066	25.7
71.08618	16.4
81.07040	15.1
83.08600	14.7
85.10160	3.2
88.60799	2.7
92.09304	3.7
95.08584	18.1
97.10139	4.6
99.04437	3.2
105.06989	4.0
109.06506	11.9
123.08076	11.8
125.05958	12.5
127.07543	21.3
135.33554	2.6
139.07532	100.0
141.88504	3.3
151.07516	3.2
175.71864	3.2
177.09105	13.4
187.87129	2.8
248.25549	2.9
278.11047	2.6
301.28772	3.3
303.99704	2.9
316.15189	3.0
343.41043	3.2
347.33029	5.8
403.08923	3.3
417.37183	4.8
445.36975	19.6
477.39270	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.8
71.06860	2.3
95.08569	4.0
103.34907	2.5
150.42908	2.5
163.16061	2.5
236.65536	2.3
262.62741	2.8
495.34476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37118	1.3
53.03938	3.3
54.81412	1.6
55.01858	1.9
55.05510	23.3
57.03408	2.2
57.07059	3.4
65.03935	2.7
66.73775	1.5
67.05495	41.9
69.03407	8.3
69.07056	21.9
71.04974	3.3
74.13558	1.4
79.05457	20.8
81.03413	3.2
81.07032	24.1
83.04974	2.8
83.08609	47.7
84.08913	1.5
85.02892	5.9
85.06534	2.6
87.00806	2.4
91.05454	19.5
92.08633	1.6
93.07024	49.8
93.63795	1.5
95.03587	1.5
95.04946	67.7
95.08583	100.0
97.02846	1.9
97.06500	20.7
97.10126	2.9
100.03072	1.3
105.03364	6.6
105.07009	30.8
107.04967	2.7
107.08582	48.0
109.06490	13.4
109.10152	17.3
110.10490	2.7
111.08073	27.2
111.11707	3.2
113.09659	17.7
115.07630	1.9
117.06982	12.3
119.04922	3.7
119.08541	27.3
121.06480	12.3
121.10120	49.5
123.08060	23.7
123.11679	3.4
124.07565	2.1
125.06028	1.6
125.09618	3.1
129.06981	3.9
130.07814	2.0
131.08545	37.2
133.06470	3.0
133.10115	22.4
134.10449	3.1
135.08038	9.7
135.11665	11.1
137.02278	2.0
137.05975	11.0
137.09593	2.7
139.07481	2.0
139.11154	22.7
141.07013	2.4
141.12794	2.3
142.07829	2.1
143.08568	20.2
144.09312	1.8
145.06427	7.9
145.10101	86.8
147.07994	16.5
147.11659	3.5
149.09604	9.0
149.13258	6.9
155.08546	10.1
157.10114	15.2
157.12219	3.4
158.07237	2.2
159.08041	13.3
159.11670	39.2
161.09593	14.8
161.13237	6.6
163.03889	2.5
163.07523	1.8
163.11151	3.1
163.14806	6.9
169.10089	10.2
171.07990	15.9
171.11661	9.9
173.09598	33.2
173.13222	36.5
175.11140	6.6
175.14822	7.5
177.08907	1.9
177.12770	2.2
179.14258	48.5
179.15736	2.6
181.10077	6.6
183.11665	9.2
185.09592	3.3
185.13232	6.5
187.11163	14.1
187.14691	2.2
189.09100	8.7
189.12747	2.2
191.10646	12.7
191.14244	10.1
193.15851	2.7
194.16109	2.9
195.11673	10.6
197.09546	2.2
197.13231	7.7
199.11179	3.8
201.12717	13.3
203.14262	1.7
204.74437	1.7
205.12178	6.5
207.11723	3.2
209.09692	2.0
209.11522	2.3
209.13269	3.5
211.11145	2.2
211.14876	2.5
213.12717	9.2
215.14363	2.3
218.03339	1.6
219.11685	2.7
219.13739	37.1
223.11157	2.2
223.14711	6.1
225.12682	8.5
227.14204	2.6
229.12352	2.8
231.13681	3.3
233.15320	2.4
235.14902	2.1
237.12653	2.5
237.16415	2.5
239.14420	2.2
241.15869	2.0
243.13884	2.2
253.15813	3.6
255.17451	2.8
261.14914	2.0
265.16055	3.1
265.19403	2.0
267.17352	2.5
275.17880	2.0
281.15427	2.6
283.16891	10.8
283.20337	2.7
285.18683	4.9
285.21484	1.6
293.18890	11.3
299.16376	3.5
301.17920	10.1
303.19595	12.2
311.19949	18.2
319.19046	3.7
321.18317	2.6
329.21042	26.2
339.19467	13.8
347.22321	3.9
349.95837	1.8
353.21072	2.7
357.20554	51.6
359.21649	1.7
371.22116	55.5
375.21616	6.2
377.22800	3.0
423.28607	3.4
441.29971	32.1
442.30200	1.8
442.36682	2.1
459.30966	99.9
477.32040	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	495.2954
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.01859	8.3
55.05503	48.2
57.03417	23.4
64.81937	3.8
67.05495	74.2
69.03408	7.7
69.07080	24.6
71.04964	5.8
79.05476	63.5
81.03401	100.0
81.07040	80.9
83.04957	34.4
83.08607	38.2
85.02886	40.9
90.60644	3.3
91.05460	64.4
93.07024	58.0
95.04955	50.8
95.08612	31.2
97.06501	12.8
97.10158	14.8
100.11246	17.8
105.07020	48.9
107.04956	7.2
107.08573	27.1
109.06496	8.4
109.10145	8.4
111.04449	7.7
111.08044	5.1
117.06996	6.7
119.08568	45.4
121.10090	24.3
123.08099	4.6
129.06952	29.1
131.08540	20.1
133.06497	7.1
133.10143	18.1
134.50487	3.9
135.08125	4.8
135.11644	4.7
135.92471	3.4
142.07758	6.2
145.10118	14.8
147.08005	6.1
147.11655	20.6
149.09584	4.9
149.13150	3.9
157.10130	17.6
163.03891	4.3
163.11145	6.1
165.09053	3.7
167.72961	3.6
175.11182	8.7
182.15468	4.4
193.12120	29.2
195.13765	4.0
211.13268	43.7
249.75581	3.8
267.15820	21.8
267.80939	3.8
285.17004	6.1
385.23505	6.2
404.88480	3.8
433.26187	3.7
459.27246	14.4
477.28345	52.9
486.96701	3.8
495.29401	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
57.75085	0.7
58.06581	1.2
60.08153	10.0
66.64935	0.7
67.05508	0.9
69.07059	1.9
71.07331	2.6
74.38025	0.7
83.08588	0.8
86.09693	48.0
97.09152	0.8
98.98461	3.1
101.73512	0.9
104.10718	3.7
116.82368	0.7
124.99065	1.3
124.99989	39.5
141.06328	0.8
170.34561	0.8
184.07314	100.0
188.99678	0.9
236.14894	4.8
403.12531	0.9
494.32770	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	495.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26133	0.7
51.30463	0.7
54.80675	0.6
55.05506	1.7
55.32002	0.6
55.69905	0.6
58.72488	0.7
65.15701	0.7
67.05499	3.9
69.03423	5.1
69.07063	1.3
81.03403	1.6
81.07048	3.6
83.04985	1.1
85.02915	4.3
85.06493	0.8
85.22475	0.8
87.00819	1.3
90.47697	0.8
91.05459	0.8
93.07037	4.4
95.08597	5.7
97.02844	1.4
99.08041	0.8
105.01891	1.9
105.07015	4.4
107.08595	6.9
109.02840	1.0
109.10145	9.5
110.10516	1.1
118.47797	0.8
119.08562	7.8
120.08898	0.9
121.10141	6.2
121.10934	0.8
122.10474	1.7
123.08023	0.9
123.11697	3.3
127.03931	3.6
133.10133	5.3
135.11688	4.4
137.02345	5.5
137.09599	1.3
149.13254	3.4
163.03813	1.1
165.16321	0.8
175.14816	6.4
176.15187	2.0
193.15855	6.6
211.16914	1.1
297.34348	1.0
381.79477	0.8
406.05429	1.1
463.12024	97.9
464.12531	1.5
477.13983	1.0
495.14658	100.0
496.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41697	0.7
61.04717	0.7
69.03419	1.5
72.08136	4.2
81.03409	1.0
85.02861	0.8
92.08641	2.5
92.64299	0.8
133.10168	1.0
137.02368	6.7
138.02560	1.1
151.12404	0.8
163.03952	3.3
208.76805	0.8
212.22592	0.8
218.11052	0.8
237.81549	0.8
463.12048	100.0
464.12357	1.6
495.14667	92.5
496.15097	1.6
520.30103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19281	15.0
55.05503	39.7
56.56643	16.1
57.03429	37.8
57.94361	15.6
61.02928	31.2
65.86889	18.4
67.05495	100.0
69.03392	28.7
69.07057	34.0
79.05484	94.2
81.03410	19.4
81.07042	82.0
85.02902	48.2
91.03941	25.4
91.05468	84.5
93.07011	90.5
95.08575	30.9
97.02858	37.7
97.06507	77.0
105.07051	83.3
107.08554	24.4
109.06554	20.3
109.10163	25.9
117.06989	38.5
119.08598	47.0
121.10075	23.6
131.08545	37.8
133.10175	21.3
135.11646	30.0
145.10118	38.5
163.03853	47.1
168.31888	21.9
173.02318	25.7
173.13104	26.4
215.07106	36.5
222.59901	23.0
259.09567	41.3
333.24142	22.8
343.86337	20.5
409.76892	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06296	1.0
53.03944	2.6
55.01849	3.8
55.05500	11.7
57.03428	4.6
57.07066	4.4
59.04990	2.4
59.06253	1.0
61.02904	2.1
67.05488	13.7
69.03411	18.5
69.07040	9.4
69.27305	1.0
71.04974	7.5
73.02903	2.7
74.35202	1.0
79.04249	1.0
79.05471	5.4
81.03406	15.5
81.07040	11.3
83.04965	4.2
83.08608	9.6
85.02890	42.2
85.06531	14.3
87.00803	15.7
87.04462	1.6
91.05455	4.7
93.07024	24.6
95.04948	13.0
95.08590	37.6
97.02876	11.4
97.06517	2.4
99.04440	12.7
99.08071	87.0
101.06003	2.1
105.01826	10.8
105.07018	8.0
107.08578	19.3
109.02862	16.2
109.06491	5.0
109.10136	44.8
111.08053	5.7
111.11698	1.2
113.09607	1.2
117.01853	1.9
117.23740	1.1
119.08550	14.3
121.10118	15.8
123.08003	1.9
123.11706	7.3
125.09605	5.4
127.03889	23.7
129.01807	1.9
133.10117	20.9
135.11671	33.3
137.06032	1.3
137.09593	19.8
145.04962	7.0
147.11655	2.3
149.02319	1.1
149.13202	2.5
151.11177	1.9
151.14799	5.3
153.12732	6.9
155.10651	21.9
159.02888	9.6
165.16306	2.4
175.14801	15.2
193.15846	47.9
211.16896	100.0
225.09341	1.5
229.17932	1.4
231.05011	6.1
261.07245	1.2
275.12592	1.2
331.07733	1.1
409.18210	2.7
451.19217	5.5
459.22131	54.3
483.02368	1.6
495.18369	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
55.01865	11.3
55.05501	10.6
57.03420	10.4
57.07071	1.9
61.02907	6.3
62.45673	1.4
67.05489	16.9
68.99765	2.1
69.03068	2.3
69.03416	48.1
69.07050	14.2
71.04964	7.7
73.02896	8.5
79.05468	8.9
81.03396	32.5
81.07038	28.5
83.04966	8.3
83.08586	3.4
85.02888	93.9
85.06523	9.6
87.00808	56.2
91.05443	11.9
93.07021	38.2
95.04950	6.8
95.08584	37.6
97.02865	37.1
97.06485	1.6
97.10162	1.6
99.00732	1.3
99.04416	12.2
99.08074	33.4
105.01851	36.9
105.07016	23.0
107.08571	39.2
109.02863	31.6
109.06508	9.7
109.09388	3.2
109.10140	94.8
111.08064	3.0
115.03876	1.8
117.01807	5.5
119.08557	59.2
121.10123	34.8
123.08041	18.1
123.11672	12.5
125.09617	6.0
127.03893	53.6
131.08553	5.6
133.10101	100.0
134.10521	2.1
135.11664	68.6
137.02325	1.9
137.09596	47.7
139.11165	2.9
143.08546	2.1
144.40591	1.5
145.04930	11.1
145.10112	3.5
147.11658	8.6
149.09625	1.6
149.13231	11.1
151.11171	8.3
151.14801	8.1
157.10077	1.4
159.02808	11.4
159.11729	1.9
163.11177	1.5
163.14656	1.5
165.16360	1.8
173.13283	2.9
175.11243	2.4
175.14784	86.0
191.14359	1.7
193.15854	89.8
201.05643	1.9
209.15434	1.5
211.16887	49.2
213.03845	1.8
213.12817	1.6
231.04959	9.9
249.06050	2.6
271.69180	1.6
320.85483	1.7
409.23065	1.5
445.09320	1.6
469.29395	1.5
484.98895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47540	0.4
53.03946	0.8
55.01868	2.1
55.05505	2.1
57.03426	1.2
59.27703	0.4
59.46766	0.5
61.02914	2.4
67.05502	1.1
69.03422	6.3
69.07051	0.5
71.04989	0.7
79.05486	1.2
79.11236	0.5
81.03416	3.9
81.07047	2.0
83.04993	0.7
83.08615	0.9
85.02898	17.7
85.06514	0.6
87.00816	1.0
91.05462	3.5
92.64208	0.5
93.07034	1.3
95.04950	1.0
95.08601	2.7
97.02857	4.2
99.04444	2.2
103.05461	2.1
105.01876	0.7
105.07004	3.9
107.04977	2.3
107.08588	1.0
107.30461	0.6
109.02866	2.5
109.06500	1.0
109.10147	1.1
115.05419	5.1
117.06985	0.6
119.08572	2.2
121.06503	4.1
121.10153	0.6
122.03651	3.4
123.04416	2.8
123.11674	0.8
124.59006	0.5
125.06084	0.6
127.03899	3.2
131.04947	1.0
131.08546	0.7
133.06476	4.6
133.10100	4.0
134.10477	0.6
135.04388	3.9
135.11682	0.8
137.05960	100.0
143.04881	7.0
145.04964	2.1
147.04355	1.0
147.11687	0.7
149.05971	9.3
150.06778	2.3
151.11200	0.7
152.11613	0.8
161.05952	17.0
163.03896	0.6
163.07487	3.9
167.08533	0.6
173.05980	1.1
175.07530	3.0
175.14769	2.3
179.07138	0.6
179.08565	4.6
181.06424	0.7
191.07057	0.8
193.15828	2.1
207.08047	5.9
209.15343	1.1
210.15759	0.6
219.07935	0.7
225.09117	2.4
235.07526	2.7
237.09096	0.8
239.10605	2.3
253.08574	2.6
254.34793	0.6
265.08524	4.5
267.10193	0.8
270.08990	0.9
285.11154	20.5
297.11243	6.6
315.12158	6.9
401.06265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80908	0.8
55.05504	4.3
67.05489	5.7
69.07043	2.8
79.05477	3.6
81.03392	1.6
81.07033	7.7
83.04947	1.1
83.08604	1.0
85.02920	0.8
91.05460	3.6
93.07015	4.2
95.04962	1.4
95.08584	3.6
97.10159	1.5
98.35653	0.8
100.29430	0.7
101.37299	1.0
101.56286	0.9
104.84333	0.9
105.07011	1.8
107.08560	3.5
109.10146	7.4
119.08582	2.1
121.10116	1.6
122.07239	1.3
123.11686	1.5
125.09621	1.0
135.08983	0.8
137.09608	15.5
149.13271	1.6
165.09088	100.0
205.12366	1.2
211.68167	0.8
213.14664	0.9
261.37625	0.9
285.09787	0.8
316.51483	1.0
457.32730	1.5
493.27710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.4
57.03417	5.4
57.07067	100.0
58.63540	3.7
67.05495	17.8
69.07059	9.2
71.08614	61.3
71.63358	3.5
81.07031	23.6
81.50575	3.2
82.85521	4.0
83.08604	16.1
85.02934	4.3
85.10168	29.9
91.05454	3.6
95.08594	49.2
109.10134	24.9
110.78506	4.1
110.87113	3.7
118.20505	4.8
123.11655	3.8
125.77475	3.7
129.82811	3.7
163.39395	3.9
173.18549	4.3
235.40027	4.2
239.23645	39.9
313.27335	86.8
460.77255	4.8
487.68173	3.8
493.32803	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	493.3522
Annotation	Phlomishexaol B
Peak:m/z	Relative Intensity
55.03752	6.0
55.05502	42.3
55.19454	6.8
57.03439	15.1
57.07057	46.8
59.47871	6.1
60.13907	6.4
62.78696	7.0
64.33253	8.0
64.92731	7.1
66.93214	6.4
67.05489	66.6
69.07057	18.5
71.08575	6.9
79.05463	51.3
81.03380	12.6
81.07032	72.4
83.04988	8.0
83.08597	13.2
91.05459	42.1
91.12616	7.1
93.07018	46.1
95.04938	13.6
95.08578	45.5
97.06486	9.2
105.06995	34.5
107.08592	17.0
108.88311	7.1
109.06535	8.6
109.10157	100.0
119.08605	9.4
121.10147	9.9
125.09546	12.3
126.02223	6.8
128.06242	7.6
129.06967	11.3
131.08549	12.5
133.10071	12.2
134.00188	7.1
135.11646	9.8
137.13254	9.9
137.23596	7.6
145.10092	10.2
159.11684	13.0
161.09605	12.2
165.09032	9.6
171.08002	11.1
173.09576	11.7
191.10551	12.6
205.81856	8.7
293.58200	8.4
298.18478	8.6
457.33008	16.6
475.33972	36.8
493.27966	17.0
493.34982	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03929	5.1
55.01867	17.0
55.05506	37.8
57.03431	17.0
59.05001	3.9
67.05492	43.3
69.07050	7.1
71.04984	4.5
79.05482	43.0
81.03400	62.1
81.07032	48.2
83.01334	5.6
83.04968	22.9
83.08604	27.4
85.02902	27.2
91.05457	47.0
92.63893	3.8
93.07020	48.6
95.04960	23.0
95.08607	22.5
97.06541	4.5
97.10158	6.0
99.04409	4.7
100.94424	3.2
105.07020	29.0
107.04970	14.1
107.08595	22.2
109.06509	5.1
109.10163	14.4
111.08046	6.4
117.07021	7.1
119.08574	22.7
121.10183	24.1
123.08060	7.9
129.06996	7.4
131.08543	13.3
133.10133	14.8
135.11688	6.4
145.10162	7.7
147.08221	3.4
147.11707	6.4
149.09639	3.9
157.10214	6.9
163.11140	20.5
173.09619	4.1
191.10704	3.5
193.12137	26.4
211.13292	32.0
231.13490	3.8
313.14691	3.4
383.21411	4.0
475.26825	7.3
493.27905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03568	0.9
52.27465	0.9
55.05506	11.3
55.18139	1.0
56.24868	0.9
57.03428	8.8
57.07069	100.0
57.95540	1.1
61.02908	2.3
64.09717	1.0
66.40517	0.9
67.05493	23.0
69.07061	14.9
71.08617	61.3
75.04462	2.5
81.07039	30.1
83.08610	16.9
84.58859	1.1
85.02896	2.2
85.10167	33.5
89.06023	2.1
93.07039	2.1
95.08584	39.2
97.02846	1.5
97.10159	8.6
99.11694	1.9
109.10141	22.8
111.11718	1.2
114.88201	1.2
123.11716	6.6
137.13268	2.2
146.42804	1.1
157.34407	1.0
159.27200	1.1
189.09293	1.1
197.31773	1.1
219.06587	2.0
239.23637	30.5
257.24731	4.7
312.58850	1.3
313.27319	92.5
331.28363	5.5
475.32111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.2
57.03424	3.5
57.79050	2.1
69.03415	11.4
72.27068	2.8
76.56687	2.1
81.03411	5.7
83.05000	2.0
84.88578	2.2
85.02892	30.2
95.04951	2.9
97.02873	9.8
103.03924	2.3
105.03396	2.4
109.02863	11.5
119.04952	5.3
123.04408	10.2
127.03918	9.5
135.04410	15.4
139.03870	3.2
143.04945	3.2
147.04402	28.8
151.03880	27.6
157.06526	2.5
161.05887	7.8
162.06274	2.8
163.03868	42.6
164.04211	10.3
165.05475	12.5
169.04890	17.6
175.03946	9.2
179.06947	2.6
181.04904	45.8
187.03914	5.8
189.05391	20.7
193.04947	100.0
201.67999	2.9
205.04999	10.5
207.06532	27.1
211.06004	50.0
212.31087	2.3
213.03638	2.8
213.05492	4.1
217.04947	4.2
229.05016	11.0
231.06320	7.8
235.05968	60.6
241.04980	4.3
247.05978	58.6
259.05975	29.8
265.07104	11.2
273.38913	2.5
277.07043	18.6
295.08057	16.2
313.09338	17.4
331.09982	9.1
465.84174	2.5
493.26617	3.1
501.36334	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	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48774	1.0
53.03947	1.6
55.01867	5.4
57.03425	5.9
61.02920	1.9
63.41921	0.8
67.60098	0.9
69.03416	8.0
81.03398	4.3
83.05008	1.2
85.02899	30.7
91.05485	2.2
95.04991	1.4
97.02878	8.5
99.04482	1.2
100.96078	1.2
103.03949	2.2
107.04933	1.6
108.04414	1.0
109.02869	11.4
110.14722	1.0
119.04939	3.8
121.02860	1.2
123.04415	11.9
127.03918	7.2
129.06976	1.2
133.02852	1.7
133.06458	1.3
135.04405	2.4
137.05986	3.9
139.03883	4.0
145.02820	1.5
147.04393	15.4
151.03885	30.8
152.71269	1.1
155.05038	1.2
161.05957	4.2
163.03873	26.9
164.04265	2.3
165.05426	18.8
165.84399	1.1
169.04924	22.6
171.04387	1.4
175.03883	12.6
175.07559	1.6
177.05423	1.5
179.06989	2.4
181.04929	47.4
181.06451	2.4
187.03893	7.4
189.01842	1.2
189.05418	11.8
193.04941	100.0
203.07095	1.0
205.04919	11.7
207.02846	1.6
207.06516	27.8
211.05984	49.8
213.05531	4.2
217.04865	7.2
219.06519	2.1
229.04924	12.9
231.06516	6.5
233.04495	1.5
235.05977	51.1
241.04922	7.8
247.05963	51.2
258.58530	1.2
259.05981	31.9
265.07034	8.6
277.07065	18.2
295.08102	14.1
300.94366	1.0
313.09122	16.6
331.10306	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	493.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59457	0.6
64.33785	0.5
67.05496	0.8
71.43267	0.5
79.05471	0.8
81.03417	0.5
81.07059	0.8
85.06543	1.3
93.07028	0.8
95.08607	0.7
97.02848	0.6
107.08582	2.2
112.44898	0.5
117.79329	0.5
121.10126	1.1
125.66383	0.5
127.03853	0.6
149.45128	0.6
150.02705	0.6
167.03119	0.9
171.00478	6.0
189.01678	0.8
245.07802	100.0
271.04181	23.8
286.10342	0.6
288.41266	0.5
436.68643	0.5
448.17389	0.6
449.14157	9.4
471.29224	0.7
493.13083	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.0
54.82050	0.8
55.01867	15.9
55.05496	1.3
57.03424	10.4
61.02915	9.6
67.05479	1.9
68.99781	9.5
69.03414	39.7
71.04967	7.7
73.02893	12.0
79.05478	3.8
81.03397	40.8
81.07043	1.5
83.01348	0.9
85.02888	100.0
87.00809	45.9
87.04465	1.6
91.03931	3.6
91.05444	3.3
92.08731	1.1
93.07024	1.8
95.04955	5.2
95.08549	1.0
97.02866	40.4
97.06504	1.9
99.04435	19.1
103.03927	4.2
105.01842	19.4
105.07032	1.8
107.04946	23.2
107.08575	1.8
109.02867	29.8
109.06500	1.2
111.04424	1.8
116.80915	0.8
117.01838	7.6
117.03333	1.1
119.08527	1.5
121.02790	1.3
121.10133	2.0
123.04399	21.9
123.08001	1.1
127.03894	42.0
129.01807	7.7
131.04903	9.3
131.08574	1.6
133.10097	4.6
134.10530	0.9
135.04395	28.2
136.05148	5.6
137.02324	4.6
137.05937	4.9
145.02817	1.1
145.04956	12.9
147.02901	2.0
147.04398	3.8
147.11674	1.3
149.05959	1.0
151.03914	1.0
152.06206	1.3
153.06972	3.5
153.09070	1.5
159.02866	20.4
159.04370	8.1
160.05174	4.2
161.05971	2.0
163.03864	5.4
165.06995	1.3
167.08513	4.1
169.06479	1.4
171.08006	1.0
173.05931	2.1
173.13333	1.1
177.05424	1.8
181.06453	7.0
189.03882	3.4
191.08354	1.0
191.14294	4.3
192.14546	1.1
195.08003	7.5
197.05939	1.7
199.07524	9.6
205.06378	1.2
209.15390	4.3
213.03793	1.2
215.06995	1.1
219.07950	1.5
223.07433	8.8
227.07025	4.5
227.16298	7.0
228.16623	1.4
231.04895	4.0
237.09117	1.0
241.08475	5.2
244.07214	1.2
245.08018	24.2
251.06958	4.6
255.06482	7.3
257.08054	5.5
261.09106	1.3
267.06387	1.3
269.08014	28.4
281.07996	4.7
283.09525	1.7
287.09070	16.7
293.08115	1.2
307.09601	1.5
311.09015	10.4
331.08041	9.6
335.08984	6.0
353.10153	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	492.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82315	2.7
55.05505	7.2
55.31543	2.4
57.07047	4.0
60.95169	2.9
67.05503	13.0
69.07058	29.8
69.16364	3.0
70.09853	2.7
71.08617	3.5
79.05469	5.3
81.07041	58.5
83.08617	15.6
86.99767	3.1
91.05428	6.1
93.07030	36.7
95.08582	83.9
95.61932	2.9
97.10143	7.8
105.07014	25.2
107.08575	56.5
109.10152	57.0
119.08581	38.0
120.90690	2.8
121.10148	47.7
123.08086	5.4
123.11707	35.4
131.08565	6.5
133.10127	36.4
135.08026	3.4
135.11661	52.4
137.13217	24.2
139.11203	5.1
145.10056	13.1
147.11674	38.8
149.13248	35.0
154.23468	3.1
159.11713	14.4
161.13177	27.0
163.14781	44.8
173.13268	12.5
175.14824	44.3
177.16423	13.7
187.14839	12.2
189.16338	7.6
191.17918	100.0
203.17781	3.3
204.10704	3.2
209.15404	4.0
217.19484	14.4
223.16852	4.3
255.21219	7.2
257.22632	14.1
259.20557	4.1
269.22449	11.1
271.24130	38.7
314.46057	3.5
320.25031	3.3
393.35138	45.3
411.36200	83.1
429.37256	13.3
431.88904	3.6
439.35596	37.9
457.36505	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	492.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36457	0.6
54.81995	0.9
55.05502	1.4
57.07067	9.5
58.99564	1.4
67.05473	1.0
69.07059	16.2
71.08604	5.8
76.16492	0.6
79.05466	13.8
87.02676	4.6
91.05460	78.5
93.06995	1.0
95.04945	1.6
97.01102	1.0
97.92786	0.7
103.05449	9.0
105.07014	77.2
106.06490	1.5
106.07809	11.2
107.08605	3.3
121.06478	1.2
133.06473	61.7
134.07248	39.2
135.08029	100.0
137.04179	4.4
143.08881	1.9
151.07527	29.2
161.09657	1.1
165.03662	65.0
167.05212	10.1
179.05241	19.6
181.10078	4.4
192.52260	0.8
198.12759	36.1
277.16159	19.0
295.17212	89.7
329.58484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.6
57.07071	4.8
67.05495	25.8
69.03404	4.2
69.07055	23.7
73.36008	3.0
79.05461	5.9
81.07050	46.8
83.08599	7.0
91.05448	12.6
93.07036	25.9
93.15015	3.1
95.08584	71.2
97.10155	3.0
97.32767	2.6
99.99658	2.6
105.07002	15.2
107.08585	36.2
108.99995	3.0
109.06477	4.7
109.10144	52.9
111.08051	13.1
111.51629	2.9
112.49819	3.2
119.08543	20.3
121.10146	32.0
123.08070	3.8
123.11695	19.5
125.05914	4.0
125.09541	4.2
133.10086	16.0
135.08037	25.4
135.11687	20.4
137.09598	73.0
137.13226	21.9
143.08556	3.6
145.10056	6.2
147.08078	3.6
147.11691	17.9
149.09604	5.8
149.13235	19.7
152.30443	2.9
157.10127	4.4
159.11664	14.2
161.09473	3.3
161.13260	14.6
163.14771	12.6
165.09093	20.2
171.11664	5.7
173.13144	5.9
175.14775	4.0
183.10156	13.8
183.11629	3.9
187.14853	6.6
189.16335	6.1
191.17943	16.1
193.19464	3.8
203.14343	3.2
215.14328	3.9
233.15234	4.3
247.16916	5.9
283.29260	3.0
421.34558	16.0
439.35632	100.0
457.36902	31.8
475.37274	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27304	0.6
53.03934	2.9
55.01861	3.6
55.05499	5.6
56.05832	0.5
56.64154	0.5
57.03430	1.5
61.02925	0.9
65.03918	0.7
67.05492	2.8
69.03420	8.7
69.07043	3.6
71.04982	5.7
73.02889	1.0
73.06529	1.2
73.30078	0.5
79.05450	2.7
80.04974	1.0
81.03410	8.3
81.07034	3.6
82.03728	0.9
83.04964	4.1
83.08600	2.8
85.02894	13.7
85.06525	0.9
87.00829	7.7
87.04479	0.8
89.59868	0.6
91.05450	3.2
92.09446	1.1
93.07024	4.7
95.04952	100.0
95.08593	3.3
97.02885	6.3
97.06518	3.5
99.04445	16.7
105.01863	3.1
105.07034	6.4
107.04928	1.3
107.08588	5.1
109.02857	5.7
109.06535	1.3
109.10144	2.7
111.08087	1.3
117.01847	1.2
117.07027	0.8
117.83231	0.6
119.08537	3.1
121.06512	1.4
121.10123	4.5
123.04382	1.3
123.08090	1.3
125.09591	1.3
127.03902	6.8
131.04903	1.1
131.08554	2.8
133.10124	9.2
135.04485	1.1
135.08022	3.7
135.11752	1.5
137.09613	0.8
139.11162	1.0
145.04926	1.4
147.11668	1.2
149.02333	9.6
149.09599	1.4
149.13225	1.2
150.02669	3.9
151.02812	1.3
151.11218	2.9
153.09088	16.3
159.02899	2.9
159.08040	0.8
161.09587	2.8
161.13290	1.1
163.03929	1.2
166.08665	0.7
167.14281	1.6
173.11816	0.8
173.13266	2.8
181.12213	1.1
191.14281	5.4
201.42879	0.7
209.15331	21.3
215.07047	0.9
225.11136	1.0
227.16507	1.3
269.08127	1.3
397.83316	0.7
457.20239	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01861	6.9
55.05501	7.1
57.03422	6.5
57.07063	9.5
59.26963	1.1
61.02911	3.0
67.05503	14.3
68.99777	11.8
69.03420	20.7
69.07066	12.4
71.04975	6.0
73.02911	2.6
76.38624	1.2
79.05487	9.0
81.03400	20.7
81.07052	21.5
83.04961	1.7
83.08600	2.1
85.02896	51.5
85.06533	100.0
86.19614	1.2
87.00817	24.7
91.03928	1.4
91.05464	8.6
93.07029	51.4
95.08590	34.9
97.02887	12.7
97.06477	10.3
97.10159	1.7
98.35670	1.2
99.04427	16.7
99.08073	10.1
101.05990	1.8
105.01843	15.6
105.07001	10.2
107.04950	1.8
107.08583	67.9
109.02876	15.5
109.06509	7.2
109.10152	13.4
111.00793	2.9
111.08058	5.4
111.11707	6.5
113.21172	1.2
117.05483	2.0
119.04919	15.3
119.08598	2.5
121.06491	2.9
121.10122	47.4
123.04362	1.4
123.08058	2.6
123.11674	5.9
125.09600	2.9
127.03898	23.4
127.07537	5.7
129.01833	1.9
131.04880	1.8
131.08559	2.4
133.10144	7.8
135.08015	11.0
135.11649	6.0
137.02307	5.6
139.07529	20.1
145.04944	3.0
145.10072	1.3
147.04395	64.1
147.11661	3.1
149.09593	3.0
149.13242	50.8
151.11157	15.6
153.09084	18.1
159.02901	4.9
161.05974	1.7
163.03885	1.7
163.14810	10.3
167.10689	5.8
171.04395	5.4
173.13286	8.4
175.03899	7.8
177.05435	10.8
189.05418	13.6
191.14304	14.5
199.03860	6.0
203.03349	6.3
209.09822	1.6
209.15338	46.1
227.03333	8.7
227.16408	45.3
245.04430	9.6
335.09119	1.6
356.40521	1.5
363.08411	9.3
365.10098	8.2
391.08069	2.3
415.08328	1.7
433.09045	7.0
457.08942	8.1
475.10257	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.6
55.01872	6.7
55.05498	7.9
55.66474	3.0
57.03424	4.7
57.07060	15.9
58.96637	3.3
60.83553	3.4
61.02893	3.8
61.05455	4.0
67.05492	22.6
67.58198	3.8
68.99751	3.5
69.03417	30.4
69.07059	21.9
71.04995	4.8
73.02904	7.2
73.76416	3.3
79.05479	9.0
80.28794	3.3
81.03399	24.0
81.07062	30.8
85.02888	54.4
85.06532	100.0
87.00826	26.9
88.84635	4.1
91.05475	9.4
93.07027	53.3
95.04964	5.4
95.08598	40.3
97.02889	23.3
97.06532	15.5
97.10151	3.7
99.04439	14.5
99.08083	8.3
105.01866	15.1
105.07053	20.2
107.04935	8.4
107.08566	64.0
108.42381	4.6
109.02847	18.2
109.06521	5.6
109.10140	18.4
115.96565	3.9
119.08633	6.6
121.06525	4.8
121.10126	59.6
123.08005	5.6
123.11702	4.4
127.03070	4.6
127.03916	18.1
133.10101	4.8
135.08086	7.2
135.11716	8.2
139.07553	23.8
145.04938	3.9
149.02348	9.0
149.09593	4.5
149.13257	51.5
150.02673	8.2
151.11176	9.0
152.03098	4.3
153.09114	21.4
165.09169	7.2
167.10645	4.6
173.13232	14.0
182.55937	4.6
191.14310	18.0
209.15364	44.3
227.16423	37.5
234.77980	4.5
243.10408	5.1
244.10493	4.5
245.07765	96.3
271.04233	20.0
298.69299	4.5
348.11426	4.0
493.13086	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01859	2.6
55.05489	2.2
56.73666	1.1
57.03428	3.0
61.02898	2.6
67.05497	1.7
68.99780	2.7
69.03419	28.0
69.07050	6.0
71.01315	1.2
71.04972	2.3
71.86687	1.2
73.02895	2.3
74.55320	1.2
79.05474	1.6
81.03397	23.2
81.07036	9.8
83.08617	1.9
85.02895	60.0
85.06541	1.6
87.00826	33.2
91.05448	2.9
93.07031	12.0
95.08612	9.3
97.02873	28.8
97.06516	100.0
99.04430	7.7
105.01842	28.9
105.07005	9.6
107.08572	27.7
109.02876	21.6
109.06489	15.9
109.10134	10.3
111.08064	2.7
117.01875	1.3
119.08566	9.3
121.10136	26.3
123.08030	2.8
123.11707	3.2
127.03902	38.3
129.01831	1.9
131.08539	7.5
133.10126	24.3
135.08090	1.9
135.11688	3.1
135.75084	1.3
137.09645	2.1
145.04996	9.9
147.04381	8.1
147.11716	6.6
148.04718	3.0
149.09702	4.7
149.13232	20.3
151.11165	7.0
158.10913	1.6
159.02888	5.3
163.14804	3.3
167.10609	2.2
169.12227	10.0
169.75229	1.3
173.13237	9.1
191.14290	20.4
209.15323	17.0
213.03917	6.7
217.44220	1.4
227.16385	33.0
231.04913	7.1
249.05972	2.1
254.76405	1.5
439.19525	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49794	1.4
51.65805	1.6
53.03928	3.1
54.25632	1.8
55.01866	3.5
55.05508	23.3
57.03421	9.0
57.07068	3.3
59.05008	2.0
59.55518	1.6
67.05495	9.2
67.48946	1.6
69.03407	25.8
69.07057	11.2
71.04983	7.7
73.02913	3.1
79.05485	15.0
81.03397	19.2
81.07040	36.8
83.04962	27.3
83.08604	22.2
85.02890	39.0
85.06529	3.1
87.00813	22.7
91.05451	11.5
93.07028	25.4
95.04943	41.0
95.08582	15.3
97.02866	15.7
97.06522	15.7
99.04488	13.2
105.01855	15.4
105.07011	30.4
107.08582	46.2
109.02885	12.6
109.06503	46.6
109.10141	41.1
111.08058	11.3
115.07533	3.0
115.90346	1.9
119.08582	20.9
121.06448	1.8
121.10121	39.4
123.08081	4.0
123.11678	10.6
125.09618	10.5
127.03896	22.0
130.86032	2.0
131.08521	19.2
133.10110	76.5
135.08017	11.5
135.11681	4.1
139.11160	3.6
145.04959	8.0
145.10107	12.4
147.11682	16.1
149.13210	13.8
151.11159	24.7
153.09096	17.9
158.10889	3.8
159.02834	7.2
163.14796	9.5
165.12735	7.9
167.14265	21.6
173.13223	38.0
175.14839	3.8
191.14278	31.8
197.79216	1.9
209.15332	100.0
227.16371	21.1
231.05051	2.7
439.19629	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	492.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79128	0.3
53.00295	0.4
53.03929	0.6
55.01871	0.7
55.05501	2.9
57.07064	0.6
59.35629	0.3
67.05485	1.0
68.99754	0.4
69.03413	6.1
69.07031	2.2
71.04968	0.9
73.02882	0.6
79.05470	5.4
81.03398	2.5
81.07031	2.1
83.04958	2.8
83.08589	0.6
85.02894	3.4
85.06522	0.4
85.12961	0.4
87.00810	2.6
91.05466	6.5
92.09349	0.8
93.07032	4.5
95.04963	3.7
95.08575	0.9
97.02888	3.3
97.06526	1.8
99.04433	1.6
105.01840	1.6
105.07014	15.1
107.08579	52.4
109.02879	2.2
109.06504	2.3
109.10135	2.1
117.01833	0.4
117.03354	0.5
117.06984	1.6
119.08555	7.5
121.10118	8.9
123.08060	1.8
123.11724	0.5
127.03885	2.8
129.06967	0.8
131.08546	12.6
133.10109	100.0
135.04414	0.8
135.08014	4.5
135.11684	2.5
136.04761	0.5
137.09554	0.5
143.08539	2.0
144.09294	0.7
145.02827	0.5
145.04918	1.7
145.10146	5.3
146.03191	0.5
147.11699	3.9
149.13257	7.6
153.09081	1.6
155.02458	0.4
158.10872	4.7
159.02873	0.6
163.03876	9.5
163.14799	0.7
164.04172	4.7
165.04411	2.1
171.11668	0.5
173.13220	22.4
175.14777	9.9
191.14273	42.1
209.15302	2.5
269.65094	0.4
275.92886	0.4
283.38754	0.4
291.07010	0.5
294.43375	0.5
326.68753	0.4
493.86774	0.4
504.09958	0.5
506.85974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47504	0.2
53.03929	1.3
55.01858	0.4
55.05492	1.3
57.03427	2.8
61.02909	0.4
69.03413	16.2
70.74259	0.2
71.01328	0.5
71.04975	2.0
73.02899	0.3
81.03394	5.5
83.01300	0.4
83.04954	1.5
85.02882	4.8
85.06505	0.4
89.03894	0.4
91.05444	2.6
92.09296	0.4
95.04938	2.6
97.02860	7.1
98.06026	0.2
99.04426	5.5
100.02172	1.5
101.02342	0.5
101.13757	0.3
107.04948	2.4
109.02844	1.7
113.02335	1.2
113.05979	1.6
117.03352	0.4
119.04915	13.0
121.06474	1.0
123.00776	1.1
123.04401	17.3
127.03887	5.9
131.04916	1.3
134.33041	0.2
135.04372	3.0
137.05933	1.0
143.03362	0.5
145.02782	1.8
147.04385	100.0
148.04744	0.3
157.05020	0.3
157.06508	0.3
163.03868	12.4
163.07483	0.4
165.05446	4.5
185.05928	0.5
199.07420	0.3
203.07002	0.4
247.09631	0.4
267.08542	4.0
277.10687	1.1
309.09613	25.1
325.09198	0.5
327.06866	0.4
407.13193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84146	0.1
55.05498	0.7
57.03426	0.7
59.28626	0.1
64.60482	0.1
69.03067	0.3
69.03419	5.4
79.05515	0.2
81.03404	2.4
83.04971	0.3
85.02898	1.3
85.06503	0.2
89.03891	2.2
91.05473	0.3
95.04939	0.4
97.02880	5.8
99.04427	1.4
103.52379	0.2
107.04979	1.5
109.02882	0.3
111.04407	0.2
113.05998	1.7
115.03955	0.2
117.03365	3.8
119.04945	1.6
123.04427	2.9
127.03907	0.6
135.04402	12.1
136.04662	0.2
137.02437	0.2
145.02840	11.1
147.04398	12.8
163.03880	100.0
164.04202	0.3
165.05434	0.3
180.72328	0.2
181.04932	0.9
181.94810	0.2
202.19495	0.2
267.08588	0.4
309.09671	3.9
325.09143	8.1
325.13028	0.3
337.15955	0.2
429.57153	0.2
431.08939	0.2
439.12320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01552	0.2
53.03936	1.6
54.82349	0.3
55.05507	2.8
55.99261	0.3
57.03428	1.7
61.02899	0.2
65.03893	0.4
69.03071	0.6
69.03421	13.9
71.04971	1.4
81.03410	5.3
83.04958	0.7
85.02884	4.1
85.06519	1.2
89.03904	1.8
91.05454	2.2
95.04937	1.8
95.94617	0.3
96.95609	0.3
97.02261	0.4
97.02876	9.0
99.04436	4.7
101.02354	0.4
102.46425	0.3
107.04928	2.5
109.02857	1.3
113.06028	3.8
117.03365	4.2
119.04932	8.8
119.08539	0.3
121.06464	1.2
123.04406	10.7
127.03896	4.1
130.37878	0.3
131.04953	0.4
135.03371	0.5
135.04393	13.6
135.05377	0.6
136.04761	0.3
137.02344	0.4
145.02840	11.1
146.40285	0.3
147.04396	66.0
148.04736	0.3
157.06441	0.5
163.03882	100.0
164.04178	2.9
165.04420	0.8
165.05530	3.0
168.15112	0.3
169.91203	0.3
181.04962	0.7
185.05997	0.6
187.06027	0.4
197.67868	0.3
215.06897	0.3
249.02737	0.3
267.08606	2.9
291.08765	0.6
309.09650	15.9
323.51959	0.3
325.09116	7.3
327.10123	0.3
342.48730	0.4
407.13382	0.6
408.13367	0.3
439.12253	0.5
451.08301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81982	5.9
55.01865	17.1
65.30875	5.8
67.05494	10.9
69.03416	11.6
69.07040	29.0
70.12968	6.0
71.68582	6.4
81.07035	45.3
83.08605	12.3
93.07027	28.9
95.08588	55.3
97.06501	59.9
97.10101	8.6
105.07014	26.2
107.08575	59.4
109.10154	56.1
115.07563	37.7
119.08540	14.4
121.10108	43.8
123.08045	16.8
123.11687	40.0
125.09614	36.5
131.08562	7.5
132.19653	7.2
133.10110	26.0
133.56136	6.6
135.11679	51.3
137.13301	9.8
139.31435	7.0
141.09035	10.7
145.10075	10.7
147.11668	33.9
149.13257	47.9
159.11656	14.6
161.13255	14.5
163.14816	28.2
173.13274	9.1
191.17935	100.0
195.85837	7.6
205.19466	11.8
217.19432	9.9
306.49612	7.5
423.36197	33.8
441.37283	88.5
459.38193	42.2
490.42145	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.1
55.05508	14.9
57.03429	2.5
64.33434	1.4
67.05495	36.1
68.99776	13.0
69.03420	3.1
69.07062	17.5
71.04974	3.1
71.17793	1.3
79.05468	9.7
81.03392	2.9
81.07044	17.1
83.08612	11.4
85.02882	2.9
87.00821	2.3
88.28081	1.4
89.03870	1.9
91.05450	12.1
92.08673	3.3
93.07016	24.3
95.04951	56.9
95.08588	15.3
97.02847	2.9
97.06477	6.9
97.10126	7.4
99.04465	2.0
105.07019	21.0
106.07334	2.9
106.15660	1.5
107.04926	7.2
107.08591	19.7
107.86606	1.6
109.06497	9.0
109.10143	40.1
111.08051	2.8
117.03358	2.0
117.06995	8.3
119.04922	2.0
119.08540	14.1
121.06489	6.1
121.10105	10.2
123.04383	7.0
123.08052	6.5
125.09599	13.0
127.11152	8.6
129.06976	3.7
131.04900	7.0
131.08566	21.5
133.06503	2.3
133.10114	17.8
134.10405	1.9
135.04364	10.3
135.08028	3.4
135.11685	9.8
137.02301	12.0
137.05972	7.5
137.09634	2.1
137.13203	1.8
143.08543	15.9
144.09351	1.8
145.02821	9.1
145.06433	6.1
145.10106	38.3
147.04425	11.5
147.08034	6.2
147.11665	6.3
149.05962	2.6
149.09569	6.2
149.13303	2.4
153.12715	1.9
155.08543	8.7
155.14291	2.3
157.10101	9.6
158.07269	1.6
159.04373	2.3
159.08017	3.2
159.11646	14.3
161.09592	13.1
161.13217	2.7
162.09857	1.9
163.03883	54.9
163.09863	2.1
163.11093	15.5
164.04195	2.2
164.11510	6.7
169.10080	6.4
171.08006	8.2
171.11635	6.4
173.09569	24.4
173.13217	23.5
175.03868	6.9
175.11121	2.3
175.14787	3.6
177.05428	9.1
179.10602	3.2
181.10097	3.2
183.11659	7.3
185.09579	2.6
185.13275	7.6
187.11139	5.9
187.14822	2.2
189.09056	7.2
191.10643	3.8
191.14253	3.3
193.10054	3.0
193.15839	33.1
195.11670	10.3
197.09659	2.5
197.13255	9.7
199.03954	3.0
199.11191	3.8
201.12703	8.2
203.03358	8.6
205.04961	8.8
205.12239	2.2
209.13240	3.6
211.14725	2.8
213.12711	14.9
215.14253	8.8
219.13762	10.7
223.11118	3.1
223.14799	1.9
225.12743	5.7
227.03383	3.5
229.12256	2.1
231.13750	7.7
233.15387	2.3
237.12601	2.7
237.16476	2.8
239.14183	2.0
245.04279	12.0
247.14886	2.1
249.14838	2.8
251.17955	2.2
253.15813	6.4
255.17448	2.7
265.15869	3.1
271.16937	3.4
283.16910	13.2
283.20264	2.8
293.18936	10.4
299.16611	1.8
301.17950	37.4
311.19904	15.3
329.21008	30.7
339.19409	8.1
345.54337	1.6
347.22150	18.2
353.20898	2.9
357.20505	23.1
371.21838	3.0
379.07870	7.2
381.09341	8.0
392.62839	1.7
407.07507	2.8
413.06567	1.9
431.07349	1.8
437.30292	6.7
449.08380	2.7
455.31509	22.4
473.08362	7.3
473.32568	100.0
491.09259	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	490.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05492	21.8
57.07059	7.3
64.31536	3.3
67.05502	25.9
69.07051	37.4
76.05538	3.4
79.05465	22.8
81.07049	47.9
83.08603	19.0
91.05441	9.0
92.08672	13.7
93.07004	51.4
95.04936	4.1
95.08585	100.0
97.10122	4.8
105.07020	40.8
107.08577	48.5
109.06503	6.5
109.10148	47.4
112.83285	3.5
119.08542	40.6
121.06480	8.9
121.10122	39.5
123.08043	8.6
123.11686	34.5
125.09640	3.3
131.08527	14.5
133.10115	33.6
135.08014	23.9
135.11700	28.1
137.09587	4.1
137.13239	25.0
143.08527	8.8
145.10135	32.1
147.11673	22.7
149.09602	6.9
149.13260	16.7
151.14804	5.8
157.10126	21.6
159.11632	27.8
161.09598	5.9
161.13260	14.2
163.14839	5.8
169.10042	7.7
171.11650	19.3
173.09549	6.1
173.13228	17.9
175.14807	5.1
178.29054	3.8
181.12212	5.4
183.11658	8.5
184.53647	3.4
185.13301	7.0
187.11172	4.4
187.14742	7.8
189.12735	5.3
189.16325	4.7
191.17914	5.1
195.11533	4.2
197.13351	6.6
199.14851	4.8
201.16335	3.8
203.18074	3.9
205.19566	4.1
211.14874	6.2
213.16304	6.0
215.18172	4.6
223.14961	4.5
224.93597	4.4
239.17822	8.0
243.52637	3.6
259.20581	5.3
379.29858	7.9
391.33362	6.2
397.30920	5.0
419.33099	21.5
434.43582	3.6
437.34006	47.8
455.35114	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21605	0.4
55.01867	0.8
55.05506	6.4
56.33433	0.4
57.03432	0.5
57.07064	0.9
58.21858	0.4
59.04979	0.5
61.08156	0.4
67.05493	2.4
69.03417	2.0
69.07056	8.7
71.04967	3.0
73.02901	1.0
74.38241	0.5
79.05493	3.7
81.03420	0.7
81.07061	4.3
83.04966	1.9
83.08611	0.6
85.02908	3.4
85.06548	0.7
87.00819	0.7
91.05465	10.2
93.07030	6.2
95.04971	0.6
95.08595	3.0
97.02872	2.0
97.06516	1.0
99.04427	11.2
103.05432	0.5
105.07014	38.4
106.35995	0.5
107.08587	13.3
109.02885	1.0
109.06534	3.8
109.10128	1.0
117.07015	2.3
119.08563	99.2
121.06509	0.5
121.10142	5.5
123.08034	2.0
127.03911	2.0
129.06978	0.6
131.08530	2.2
132.09300	0.7
133.06471	0.7
133.10110	24.6
135.04393	0.8
135.07973	0.5
135.11690	0.7
143.08524	0.6
145.10094	4.8
146.10892	0.5
147.08090	5.3
147.11673	100.0
149.02351	0.7
149.09645	0.8
151.07536	4.5
156.09309	1.1
159.11691	1.1
161.09634	1.0
161.13239	27.6
163.03885	2.2
164.06961	0.6
165.09096	6.4
165.12695	0.5
171.11629	2.6
173.13243	0.6
174.10397	0.9
178.16531	0.6
189.12732	8.3
207.13779	47.6
225.05434	1.1
275.19931	0.6
284.09598	0.5
293.21042	0.9
295.73425	0.5
461.85052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85775	0.5
53.03924	0.8
53.91381	0.5
54.57653	0.5
55.01862	4.2
55.05506	5.6
57.03434	9.3
61.02908	3.7
65.03934	0.7
66.89644	0.5
67.05147	0.8
67.05496	24.3
69.03418	1.5
69.07049	2.8
71.04968	1.4
73.02894	2.4
79.05479	52.1
81.03391	4.1
81.06609	0.6
81.07044	13.8
81.79528	0.6
83.04958	8.8
83.08596	2.9
85.02888	6.6
85.06521	1.2
86.09667	0.6
91.03931	3.0
91.05470	44.4
93.07028	43.9
95.04971	5.4
95.08585	12.6
97.02872	3.0
97.06516	15.0
99.04424	0.7
103.03934	2.5
103.05420	1.2
105.06364	1.1
105.07022	24.2
107.04921	3.9
107.08586	15.8
109.02874	0.7
109.06507	4.2
109.10112	1.0
111.08087	4.1
115.05441	4.9
116.06236	0.8
117.07007	44.8
119.08561	12.5
121.06498	8.0
121.10124	25.6
123.08047	11.8
127.03857	0.7
129.05435	2.7
129.06982	12.1
131.08549	40.6
133.06465	2.9
133.10156	5.1
135.08020	15.7
137.09560	1.1
139.07515	3.7
141.06979	15.2
142.07773	2.8
145.06468	1.2
145.10104	11.2
147.07977	0.7
147.11679	2.7
149.09598	10.3
155.08530	11.2
157.10100	16.2
159.08051	0.8
159.11653	8.4
161.13255	1.1
163.03896	1.3
168.09265	2.9
171.11694	3.3
173.09628	2.3
173.13208	13.8
175.11153	3.9
183.11661	17.6
191.14322	0.7
201.12735	11.7
216.57478	0.7
219.13782	3.5
230.92175	0.6
275.20102	1.1
293.17435	100.0
294.17679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01863	1.1
55.05509	7.6
57.03426	1.4
57.07072	0.6
59.04993	1.2
61.02913	1.3
61.14767	0.6
67.05489	3.0
69.03419	19.6
69.07044	1.2
71.04974	2.6
75.04433	0.7
76.52126	0.6
76.56590	0.6
79.05474	4.0
81.03408	9.2
81.07027	5.4
81.17387	0.6
83.04953	4.8
83.08589	0.8
85.02891	30.0
85.06532	3.9
87.00829	2.7
89.03890	1.4
91.05460	11.0
93.07023	4.2
95.04977	2.8
95.08598	3.8
97.02878	11.8
97.06524	1.3
99.04456	5.1
101.06017	3.5
103.05538	0.8
105.01862	1.4
105.07013	30.5
107.04961	1.4
107.08570	9.5
109.02876	2.8
109.06503	11.8
109.10138	3.9
111.04427	5.3
113.06027	5.5
117.03354	4.2
117.06973	4.5
117.15010	0.7
119.04923	17.8
119.08566	32.7
121.10120	9.9
123.08042	6.0
123.11690	21.9
125.05983	1.2
126.43829	0.6
127.03881	4.5
128.06178	0.8
129.05475	2.3
129.07004	2.6
130.07774	1.1
131.08571	5.6
133.06487	3.1
133.10112	2.8
135.04395	12.6
135.08038	5.8
135.11682	1.1
137.09622	3.1
143.08568	4.5
145.02840	10.7
145.04971	1.2
145.10085	10.2
147.04395	100.0
147.08037	6.3
147.11674	39.0
149.09560	6.0
151.07558	2.6
156.09315	8.2
159.08025	0.6
159.11678	0.8
161.13257	3.4
163.03877	94.5
163.11172	3.5
165.05470	1.0
165.12801	2.5
171.11674	9.1
174.10408	1.4
181.04916	0.9
189.12721	34.2
193.64682	0.7
202.39249	0.6
207.13783	49.3
225.14784	7.7
259.09592	2.2
294.83502	0.7
309.09708	4.9
309.69727	0.7
325.09155	4.2
330.48376	0.8
423.12543	1.3
445.00790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01857	2.1
55.05508	14.9
57.03423	1.7
61.02908	0.8
61.79893	0.4
69.03417	5.8
69.07050	0.9
69.87981	0.3
71.04974	2.7
73.02898	1.6
73.06159	0.6
73.06544	13.0
79.05476	0.6
81.03403	5.9
81.07049	0.7
83.06078	0.7
85.02896	13.7
85.06518	0.5
87.00820	6.1
91.05445	2.5
93.07035	2.5
95.08609	1.0
97.02871	8.8
97.06489	2.0
99.04443	6.2
105.01836	3.9
105.07015	10.9
107.08659	1.4
109.02879	6.5
109.06522	0.9
111.05577	3.7
119.08541	1.9
121.02843	3.3
121.06487	0.9
121.10136	0.6
123.08039	2.1
125.07103	0.6
127.03890	6.5
131.08511	0.5
133.06493	0.9
133.10097	9.7
137.05962	0.8
139.08733	0.6
140.09476	4.9
143.08562	1.7
145.04936	1.8
145.10104	0.5
146.07251	0.5
149.02328	100.0
151.07652	0.5
159.02829	1.9
159.08112	0.6
161.05972	0.7
161.09592	12.5
163.03888	4.7
163.11179	5.0
165.12756	1.1
167.03401	0.7
173.02283	0.6
175.07556	1.7
179.10632	4.3
189.09119	3.0
203.07043	2.1
207.10126	2.0
215.06987	0.5
221.08054	8.4
225.09338	0.6
225.11145	4.8
231.04973	0.6
259.09433	4.0
275.12451	0.5
293.13815	15.2
297.11063	0.7
312.20181	0.4
328.20227	3.5
330.50549	0.5
343.85199	0.5
455.14786	0.5
490.25452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25356	0.1
53.03927	0.2
54.81164	0.1
55.05492	0.8
57.03399	0.2
57.78861	0.1
67.08463	0.1
69.03413	8.6
69.62082	0.1
70.32394	0.1
71.04984	0.3
79.05455	0.5
81.03400	1.7
83.04961	0.7
85.02889	1.2
85.06521	0.5
89.03896	2.6
92.09261	0.2
97.02868	5.5
99.04432	2.8
107.04910	1.1
113.05963	1.1
115.27359	0.1
117.03359	4.4
119.04926	0.1
127.03861	0.2
135.04391	12.9
145.02824	11.6
147.04451	0.1
151.80025	0.1
163.03871	100.0
164.04156	0.2
181.04956	0.7
239.95612	0.1
243.08490	0.2
307.08002	0.6
325.09113	10.7
405.11810	0.2
423.12683	0.8
431.16650	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	490.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69118	0.4
53.03942	2.7
55.01869	2.4
55.05267	0.7
55.05510	15.2
57.03422	2.2
57.27848	0.5
60.37991	0.6
61.02910	1.3
65.03944	0.5
67.05494	2.1
69.03416	8.5
69.07064	1.1
71.04984	4.5
73.02900	2.1
73.06545	7.9
76.56252	0.5
79.05491	2.3
79.78344	0.5
81.03397	7.7
81.07043	4.1
85.02891	18.3
87.00816	8.0
91.03907	0.5
91.05482	2.8
93.07030	3.8
95.08583	1.1
97.02878	11.2
97.06516	7.6
99.04447	7.3
105.01860	4.1
105.07011	10.6
107.08598	2.9
109.02894	5.8
109.06511	0.9
111.08069	0.9
117.01859	0.6
119.08561	2.2
121.02879	0.9
121.06475	1.3
121.10147	0.8
123.08051	1.2
127.03912	7.9
129.01843	0.5
131.08530	0.8
133.06508	2.9
133.10120	9.2
135.04425	0.8
137.05980	0.6
137.09583	0.9
143.08533	0.7
145.02895	0.7
145.04973	3.2
145.10144	0.9
147.11650	0.7
149.02330	100.0
159.02937	1.0
161.09590	14.5
163.03906	6.1
163.11148	2.1
165.12782	2.4
167.03369	1.3
168.33502	0.5
173.02284	2.3
175.07564	3.1
179.10637	4.5
189.09074	2.9
203.07069	2.4
207.10141	2.4
207.13792	3.6
215.06996	3.7
221.08072	16.5
225.11186	7.5
231.04886	1.0
259.09647	6.5
275.20078	0.9
280.63995	0.6
293.13831	10.8
306.94373	0.7
437.14542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.7
67.78134	0.3
69.03414	1.4
75.76829	0.3
81.03413	0.4
81.75224	0.3
84.04494	100.0
85.02886	3.5
86.09741	0.3
88.03968	1.2
97.02870	1.4
99.04465	0.4
102.05527	32.9
104.49697	0.3
106.05009	0.5
117.87081	0.4
127.03886	0.8
130.04985	40.7
131.03398	0.8
135.04428	0.5
148.06035	65.3
156.03526	0.4
163.03845	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	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.81941	0.2
55.05499	3.5
55.59226	0.1
57.03428	0.4
69.03416	11.0
71.04953	0.2
81.03400	4.2
83.04950	0.8
85.02879	1.3
85.06523	2.8
89.03886	2.2
91.05430	0.2
97.02859	3.9
99.04429	3.9
107.04953	1.5
109.02799	0.2
111.04379	0.3
113.05986	5.7
117.03352	4.2
127.03854	0.3
131.07019	0.4
135.04396	13.7
145.02824	11.6
147.04387	1.8
163.03874	100.0
164.04156	0.3
166.83560	0.2
181.04903	1.2
182.84991	0.2
234.50145	0.2
259.80124	0.2
298.85507	0.2
307.08072	0.4
309.09662	0.2
325.09097	10.8
423.12616	0.7
483.01688	0.2
512.28864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
54.81453	0.2
55.05504	2.4
57.03422	0.7
64.33136	0.2
69.03421	10.3
71.04954	0.3
71.87888	0.2
76.55942	0.2
79.05466	0.3
81.03400	3.3
83.04948	0.4
84.35668	0.2
85.02892	1.2
85.06550	1.4
89.03899	1.8
92.08679	0.2
97.02879	4.6
99.04436	3.7
107.04948	1.1
111.04401	0.2
113.05997	4.1
114.94993	0.2
117.02625	0.3
117.03367	4.5
127.03853	0.3
131.06987	0.3
135.04401	13.3
141.58589	0.2
145.02841	11.9
147.04413	0.9
163.03880	100.0
164.04182	0.4
181.04942	0.9
191.99928	0.2
215.16678	0.2
241.68346	0.3
251.31253	0.2
307.08176	0.7
325.09137	12.0
325.13025	0.4
423.12701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01870	0.3
55.05494	0.4
57.03419	1.2
62.06076	0.2
69.03419	4.8
73.02905	0.3
77.03918	0.3
79.05479	0.4
80.56165	0.2
81.03412	2.9
83.04955	0.3
85.02892	2.4
85.24828	0.2
89.03891	2.4
91.05463	1.1
97.02879	8.1
99.04407	1.3
105.03400	0.4
107.04947	2.3
109.02872	1.4
111.04442	3.2
112.98390	0.2
115.03905	1.1
115.05379	0.2
117.03355	4.8
119.04927	2.8
119.08578	0.3
123.04427	1.1
125.02293	0.2
127.03879	0.9
128.06166	0.3
133.02826	1.6
135.04396	13.7
137.02298	1.4
143.08522	1.1
145.02837	13.1
145.03764	0.3
145.06531	0.4
147.04393	14.4
157.06464	0.3
157.53072	0.2
160.05179	0.3
161.02350	0.2
161.05939	2.4
163.03879	100.0
164.04248	0.5
165.05444	0.3
165.09029	0.5
169.06454	1.0
171.04425	0.4
171.08002	1.0
173.05937	0.8
175.03893	0.2
175.07549	1.4
177.05531	0.3
179.03429	0.5
181.04912	1.2
181.06410	0.3
187.05856	0.2
187.07521	1.0
189.09074	2.1
191.06981	2.0
193.08571	0.9
197.05974	0.9
199.07552	0.8
213.09143	0.5
215.07030	1.5
217.08572	0.4
221.06538	1.3
233.08194	0.3
235.09599	2.5
236.71664	0.2
255.02312	0.2
257.08200	0.4
259.09607	1.2
277.10687	1.9
307.08176	0.4
309.09534	0.5
321.33878	0.2
323.07684	0.5
325.09116	12.1
409.05136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3213
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
55.01862	3.0
55.05499	11.9
57.03425	10.3
59.04992	26.0
60.05339	2.1
67.05491	19.3
69.03406	14.7
69.07059	62.8
71.04995	3.0
71.08579	2.5
75.25778	2.4
76.56880	2.1
79.05477	26.3
81.03414	4.5
81.07043	100.0
83.04977	6.2
83.08608	3.5
85.02888	12.8
88.30513	2.0
91.05462	15.9
92.09300	3.9
93.07020	32.6
94.05698	2.2
95.04953	17.7
95.08585	41.0
97.02868	5.2
97.06520	52.6
97.10175	4.0
97.36348	2.6
99.04454	2.6
99.08074	32.2
104.60432	2.2
105.07012	45.3
106.17950	2.2
107.04922	4.7
107.08589	38.4
109.06498	16.1
109.10149	18.3
111.08062	10.0
115.07550	5.3
117.07014	5.0
119.04899	2.9
119.08580	30.9
119.68404	2.8
121.06477	14.9
121.10125	12.0
123.04382	10.3
123.08055	46.0
123.11687	5.6
125.09611	21.6
127.03925	4.7
127.11175	6.0
128.06245	3.2
129.06984	4.8
131.08582	24.8
133.06554	3.4
133.10124	16.6
135.04382	4.5
135.08051	10.0
135.11699	12.0
137.05946	10.3
137.09601	4.9
139.11116	2.7
142.07651	3.1
143.08557	19.5
143.10640	2.8
145.02867	4.2
145.06514	4.5
145.10132	35.3
147.04410	12.7
147.08060	12.3
147.11678	15.5
149.02310	13.9
149.09595	12.7
149.13245	3.5
151.11154	25.0
155.08551	9.3
157.10139	15.3
158.07362	2.9
159.08044	17.6
159.11681	11.6
161.02342	4.1
161.09610	14.6
161.13239	9.2
163.03885	39.1
163.11128	8.7
169.10069	5.7
169.12247	5.9
171.08043	10.9
171.11697	11.0
171.13814	9.6
173.02298	5.8
173.09598	43.6
173.13223	28.9
175.11113	3.1
175.14835	3.7
181.10062	5.7
183.11673	13.0
185.13237	15.3
187.07527	3.5
187.11172	10.4
187.14851	4.0
189.09064	16.6
189.12509	2.7
191.10652	14.6
195.11685	11.1
197.13231	9.3
198.10297	2.9
199.11186	13.1
201.12653	11.0
207.11696	3.1
209.13329	4.3
211.11220	3.2
213.05389	3.3
213.12680	26.2
215.07011	12.5
215.14255	14.1
217.12308	2.9
223.11157	3.8
225.12733	12.7
227.14214	5.0
229.12219	2.9
231.13757	21.5
237.12799	4.8
237.16391	5.8
239.14308	5.4
243.13875	2.6
247.14906	2.9
249.14842	10.8
253.15762	3.4
255.17194	3.8
259.09549	26.8
261.18402	3.3
265.15881	12.5
267.17401	2.7
271.16895	4.5
283.16919	24.4
301.17941	94.7
302.18860	4.9
303.19556	14.2
311.19934	15.5
313.21588	3.6
319.18924	4.6
322.71426	2.6
329.21152	25.7
331.22589	10.1
335.19812	3.9
347.22250	17.3
353.20844	5.0
357.20505	3.7
371.22128	35.1
409.27118	14.3
413.26999	3.5
427.28430	41.4
445.29504	25.0
453.29895	17.8
471.30991	47.9
489.31979	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90054	0.8
51.37446	0.9
51.91172	0.7
55.01870	1.1
56.96544	0.9
67.05492	1.4
68.99783	5.3
69.03416	1.2
69.07051	2.0
74.41233	0.8
78.61902	0.7
79.05479	3.7
81.03420	1.6
81.07042	4.7
85.02885	1.7
89.03909	12.2
89.15401	0.8
91.05464	1.9
93.07024	1.6
95.08614	1.9
95.18457	0.8
103.05450	1.5
105.07022	1.6
107.04947	5.3
107.08570	1.3
109.10153	1.5
117.03365	16.7
119.04963	0.8
121.10112	1.9
123.04428	4.0
131.04886	4.4
131.08551	1.2
135.04398	29.3
137.02341	3.9
137.05966	1.6
145.02823	25.2
147.04398	6.8
153.06972	1.0
159.04399	1.3
163.03873	100.0
165.06969	1.6
165.09158	1.2
169.06512	1.7
175.03938	2.0
176.04602	0.9
181.06400	2.0
183.08040	0.8
185.05991	1.0
187.03751	1.1
191.07735	0.9
197.05930	4.1
205.04947	9.4
205.62440	0.9
209.06027	1.6
213.05444	3.5
215.03386	1.8
215.07080	5.4
221.05914	1.9
237.05426	14.2
239.07072	1.6
241.04976	1.6
243.06703	0.9
255.06415	11.8
265.04938	16.0
267.06262	1.2
277.08661	1.4
283.06027	7.3
285.07620	5.2
293.04465	4.0
305.08112	1.3
309.17004	1.6
311.05423	26.4
323.09058	1.2
327.18240	1.1
379.08102	6.4
471.10760	7.4
489.11865	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	489.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08699	4.0
53.03918	8.5
55.01860	11.6
55.05497	23.5
56.33452	4.5
57.03420	7.2
57.07058	4.5
57.15810	4.4
66.99545	5.5
67.05482	48.5
69.03404	30.6
69.07053	30.2
71.04995	8.0
71.08624	5.2
75.92792	4.2
78.82642	4.4
79.05486	48.3
81.03407	40.0
81.07046	87.6
83.04966	7.2
83.08587	5.7
85.02882	68.6
85.06528	8.3
87.00823	36.3
87.65624	4.7
91.05455	28.8
92.08656	18.5
93.07036	100.0
95.04961	6.6
95.08592	59.8
95.84597	4.4
97.02885	51.7
97.06518	5.9
99.04439	9.3
105.01842	20.6
105.07030	29.5
105.23913	5.2
107.08597	52.6
109.02886	36.1
109.06484	12.4
109.10150	29.1
113.05999	6.1
117.06996	7.5
119.08574	22.9
121.06428	9.9
121.10133	35.4
127.03870	49.2
127.07516	28.6
131.08557	10.9
133.10135	19.7
135.08034	8.3
135.11607	7.5
145.10092	5.8
147.11711	5.4
159.02885	5.8
159.11639	6.1
163.14737	36.3
175.14828	6.5
177.16312	7.3
187.14816	17.7
193.15901	7.5
198.16460	5.8
205.15831	7.1
213.03741	5.9
217.74651	5.1
223.16858	34.0
241.17824	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	489.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
54.59297	0.3
55.01865	1.5
55.22601	0.3
60.68148	0.3
67.05493	0.8
68.92792	0.3
68.99781	5.7
69.03412	0.8
69.07024	0.5
73.53873	0.3
79.05468	3.9
81.03377	0.8
81.07014	1.7
85.02870	1.9
86.09681	0.5
87.00828	0.7
89.03896	13.1
91.05457	2.1
92.82908	0.4
93.07032	0.5
95.04945	1.6
95.08574	1.6
97.02855	1.5
99.14026	0.4
103.05418	1.8
105.03391	0.7
105.07011	1.5
107.04957	7.7
107.08569	0.7
115.05397	0.6
117.03365	15.2
117.06992	0.4
121.06465	0.5
121.10111	0.4
123.04425	4.4
123.08049	0.7
127.03883	2.1
131.04921	4.0
131.08505	0.5
133.10120	0.4
135.04396	34.8
137.02316	4.5
137.05949	2.0
141.07004	1.4
143.04944	0.6
143.08482	0.5
145.02838	23.6
145.06479	0.5
147.04387	10.5
149.05946	0.5
152.06181	0.4
153.07001	0.6
159.04398	2.0
159.07959	0.5
161.06023	0.6
161.09610	2.6
163.03880	100.0
164.04184	0.8
165.06990	1.5
169.06448	2.2
173.05878	0.8
175.03896	5.0
176.04680	0.8
177.05328	1.0
181.06401	3.4
185.05974	0.9
187.03839	1.9
189.09047	0.8
191.03316	1.5
195.04462	0.6
197.05911	4.0
199.07504	0.5
203.08604	0.5
205.04932	12.6
209.05988	3.0
211.07558	1.4
213.05475	3.0
215.03452	1.8
215.07056	4.7
221.05933	0.9
223.04037	0.4
225.05408	0.6
225.11154	0.4
227.07022	1.6
237.05421	13.0
239.07010	2.3
241.04955	1.5
243.06505	1.5
249.05373	0.6
255.06462	13.9
259.05835	0.6
263.06894	0.7
265.04926	14.4
266.05463	0.5
267.06610	0.5
269.07874	0.5
277.08597	0.8
279.06088	0.5
283.05942	8.7
285.07516	6.0
287.06998	0.6
293.04425	6.0
305.08011	1.8
311.05450	27.4
317.28659	0.4
323.08951	4.3
327.08633	0.6
329.06631	0.5
342.02664	0.4
379.08047	8.2
401.10165	0.6
471.10754	7.4
486.88568	0.4
489.11716	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.9
57.03432	16.2
57.07075	52.2
58.95979	3.0
67.05493	100.0
69.07052	7.0
69.12099	3.1
71.08624	28.0
81.07032	34.8
83.08611	18.0
85.10173	15.9
92.72332	4.1
93.07027	4.8
94.21090	3.6
95.08575	34.5
106.91753	3.8
107.08616	4.2
109.10150	92.0
111.08004	4.8
119.08554	6.1
121.10143	4.5
173.11679	7.4
229.14345	32.5
299.25787	49.9
453.35660	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25813	2.1
52.51448	2.4
57.07068	100.0
64.55054	2.6
78.82285	2.6
81.07030	5.7
87.04411	2.6
89.69875	3.0
93.07014	4.7
95.08573	15.0
105.07010	3.6
107.08549	12.7
109.10128	4.4
111.04649	2.8
121.10112	16.0
121.98544	2.8
123.11701	3.6
132.62808	2.5
137.13301	2.8
148.13670	2.8
149.13255	18.4
161.27783	2.8
173.96274	2.8
177.16284	5.9
191.17972	18.8
224.19780	2.5
288.19083	3.4
316.91199	2.7
327.25177	41.3
331.80334	3.7
425.37695	79.1
443.38864	42.8
488.44537	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26222	3.9
50.60192	4.1
52.57463	3.6
55.05497	23.7
57.07069	21.7
57.26027	4.0
64.99723	8.6
67.05495	20.2
69.07059	74.0
71.28448	4.9
73.17094	5.4
77.73506	4.7
81.07034	59.6
83.08612	28.9
91.05482	17.5
92.08643	13.1
93.07030	29.6
95.08591	76.9
97.10165	9.1
105.07039	25.5
107.08566	32.4
109.10145	35.0
111.84521	4.5
119.08537	22.4
121.06557	10.8
121.10146	31.4
123.08053	5.4
123.11680	21.8
125.13175	6.3
128.96021	4.9
131.08592	10.2
133.10107	11.9
135.08015	7.2
135.11665	9.0
137.13269	36.3
143.08540	21.8
145.06543	9.3
145.10132	31.6
147.08058	9.6
147.11678	11.2
149.13254	34.4
157.10086	33.7
159.08043	11.4
159.11674	19.9
161.09625	22.2
161.13177	7.5
169.10104	19.9
171.11691	8.4
173.09526	18.5
173.13249	5.2
175.11159	11.4
176.50537	5.6
183.11607	10.1
186.14105	6.2
187.11127	6.0
187.14822	7.8
189.16219	8.7
195.11655	8.4
197.13251	8.1
199.14752	5.9
209.13240	6.2
210.13994	7.9
215.14555	6.4
225.98361	5.8
227.17950	6.6
229.19505	11.2
241.19518	6.6
253.19467	37.3
257.19006	24.0
271.20486	10.8
307.24155	6.3
343.22552	9.0
371.25671	5.2
389.32016	5.8
391.33420	68.4
407.32870	18.9
409.34494	8.2
435.32373	27.5
453.33530	100.0
471.34644	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	488.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81890	2.6
55.05496	3.2
56.70190	2.4
57.03439	7.3
57.07071	23.8
58.48732	2.5
61.65170	2.6
67.05503	20.8
69.07066	4.6
71.08621	12.7
80.88654	3.0
81.07044	11.7
81.65182	2.8
83.08618	5.5
85.10174	6.3
86.47844	3.1
93.07025	4.4
95.08589	100.0
98.20612	2.6
100.92287	2.8
109.10165	4.1
137.05861	2.9
159.10190	5.1
215.12735	26.9
313.27377	31.7
453.35773	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	488.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96190	2.8
51.56301	3.2
53.46203	3.3
54.81695	3.5
55.05497	16.5
57.07069	8.9
62.74308	3.3
67.05492	19.0
69.07055	32.0
71.07037	3.2
71.21030	3.8
79.05454	5.4
81.07050	55.7
83.08585	16.0
83.32738	3.2
91.05453	6.5
92.09309	3.9
93.07013	35.0
94.93140	3.4
95.08599	100.0
97.06515	3.7
97.10165	5.0
105.07008	31.1
107.04935	4.4
107.08588	71.5
109.06541	5.3
109.10143	40.2
119.08554	32.8
121.10139	86.1
123.08051	4.3
123.11674	56.6
131.08565	9.4
133.10109	17.9
135.07924	5.1
135.11665	42.7
137.09576	5.3
137.13235	22.0
145.10155	8.3
147.08038	4.9
147.11673	31.0
149.09576	4.3
149.13257	30.3
157.10144	6.2
159.11653	20.3
161.13239	18.5
165.12758	4.8
167.14247	6.5
171.11707	4.0
172.22678	3.7
173.09618	4.5
173.13266	21.5
175.14746	4.8
177.12743	5.3
183.11615	4.9
189.12749	6.9
191.14421	4.0
201.16383	5.8
205.19470	38.7
207.13885	4.7
209.78433	4.2
217.15675	4.5
285.21973	4.2
411.32306	18.8
435.32309	9.1
453.33661	31.5
471.34705	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	488.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15766	0.2
53.03930	1.6
55.01863	0.4
55.05506	2.2
57.03423	0.6
63.02346	0.3
64.33723	0.2
68.46713	0.3
69.03418	5.6
71.01337	0.4
71.04980	0.4
79.05461	0.4
81.03412	2.7
83.04966	4.4
85.02896	1.3
89.03899	3.2
91.05448	0.3
96.04462	1.2
97.02871	12.8
99.04436	1.4
107.04940	0.5
109.02821	0.4
111.04430	33.1
117.03363	5.7
127.03873	1.5
129.05420	0.4
135.04398	13.0
145.02834	13.6
147.04305	0.2
163.03877	100.0
164.04193	0.6
181.04956	1.6
182.78970	0.3
188.75156	0.3
192.17822	0.3
307.08023	0.5
325.05466	0.6
325.09152	16.8
355.16913	0.4
359.67584	0.3
418.33160	0.3
421.11237	5.7
471.42569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01846	0.5
55.05482	1.1
56.12486	0.4
56.22514	0.5
56.96557	0.5
57.03428	1.0
59.04974	3.3
63.19421	0.4
64.32310	0.5
69.03411	5.1
71.01318	0.6
71.04962	2.0
73.02910	0.5
73.84641	0.5
79.05460	0.6
81.03391	3.0
83.04948	3.1
85.02885	5.4
86.09686	0.6
91.05463	6.2
93.07008	0.9
95.08594	0.7
97.02881	5.6
97.06518	2.3
98.97582	1.1
99.04427	0.8
107.04965	0.8
107.08602	0.6
109.02876	0.9
109.10126	0.5
117.03373	0.5
117.06997	0.6
119.04140	0.9
119.04926	21.0
119.08590	0.7
119.65440	0.4
121.06480	0.6
123.04438	0.8
123.08012	0.8
124.62910	0.5
127.03970	0.7
133.10127	1.2
134.10463	0.6
135.04411	2.3
135.08109	1.1
145.02847	0.9
145.04961	3.8
147.04390	100.0
149.02315	1.2
150.02736	0.8
151.03815	1.0
158.99628	0.6
159.04272	0.7
161.02306	41.9
161.05882	1.8
163.03874	9.1
164.04216	1.0
173.05956	0.6
179.03380	1.1
184.04544	0.5
189.09058	1.1
215.07135	0.7
259.06058	0.5
259.09769	0.6
261.45700	0.6
291.08511	3.8
299.23392	0.5
309.09644	2.4
312.32199	0.7
323.07587	1.1
421.11414	0.7
488.08688	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99854	0.2
53.03928	0.3
55.01855	0.3
56.54430	0.2
57.07066	3.2
58.56900	0.1
61.02911	0.2
65.03927	0.2
69.03412	1.4
73.02868	0.2
81.03410	1.7
85.02894	2.8
87.00813	1.2
91.29622	0.2
92.08682	0.4
97.02863	1.9
99.04407	0.4
105.01850	0.3
108.04479	0.2
109.02849	1.5
111.04454	0.2
121.02840	2.5
126.05468	0.2
127.03890	1.4
127.45160	0.2
145.04944	0.2
148.89023	0.2
149.02324	100.0
150.02733	0.3
159.02808	0.3
161.91843	0.2
163.40556	0.2
167.03383	2.2
181.10463	0.2
202.83218	0.2
205.08649	1.5
223.09621	9.2
309.47375	0.2
358.24850	0.2
361.69434	0.2
478.75323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01862	2.0
55.05486	0.2
56.96553	0.2
57.03427	2.4
61.02912	0.9
69.03416	13.6
71.01352	0.7
71.04976	4.2
73.02892	0.5
81.03400	15.1
81.07003	0.2
84.65513	0.2
85.02892	3.3
87.04430	0.4
89.03904	0.2
91.05479	0.3
92.08727	0.3
97.02844	1.1
98.97538	0.4
99.00780	0.3
99.04439	5.2
113.06007	0.2
116.04942	0.3
117.05486	1.6
118.06490	2.6
119.25597	0.2
123.04385	0.5
127.03903	0.3
129.01834	0.2
130.06509	1.8
135.04370	1.2
137.02296	1.4
145.02867	0.3
145.07599	4.5
145.10109	0.2
147.08051	0.4
147.09154	6.5
148.07602	0.5
158.06009	0.3
162.07832	0.9
163.03854	3.9
163.08661	1.0
173.07076	10.0
175.08614	7.0
176.07043	2.3
191.08121	100.0
203.08099	0.4
205.09674	0.5
213.10217	0.2
222.07587	1.6
231.11136	0.3
233.09137	1.0
243.01836	0.3
271.10779	0.3
273.56607	0.2
289.11761	1.3
307.12830	15.3
325.13879	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07082	4.3
91.05468	3.1
93.54751	2.8
105.06996	4.4
107.08576	2.3
109.10144	5.1
121.10133	2.6
133.06468	3.1
133.10129	3.3
150.80257	3.0
165.03610	2.8
169.71675	2.4
190.86572	2.9
206.20181	2.5
251.10902	2.5
469.32645	3.2
487.30032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.4
54.95974	3.1
55.01858	7.2
55.05269	3.1
55.05510	43.3
57.03420	6.0
57.07057	18.1
61.02917	6.0
67.05489	24.7
69.03078	3.0
69.03414	29.1
69.07054	100.0
71.04961	6.8
71.08605	3.6
79.05486	22.3
81.03390	17.4
81.07045	85.0
83.04955	26.6
83.08614	32.1
85.02417	4.2
85.02893	78.2
85.10131	3.1
87.00801	4.7
91.03954	2.7
91.05457	19.5
93.07025	55.0
95.04948	6.7
95.08595	61.9
97.02868	25.8
97.06503	29.2
97.10135	19.2
99.04433	3.3
105.06985	34.2
107.08580	41.0
109.02844	5.8
109.06477	6.0
109.10120	39.1
111.08055	10.6
111.11721	5.4
113.05933	2.9
114.38834	3.2
119.08537	21.3
119.64266	3.3
121.10104	27.3
123.04384	4.8
123.08101	3.8
123.11684	14.1
127.03906	16.0
131.08549	4.9
133.10094	19.7
135.08003	3.6
135.11699	29.2
137.09468	3.3
137.13290	3.6
139.11153	4.2
145.10095	13.6
145.64133	3.1
147.11632	15.8
149.09531	4.0
149.13232	7.1
159.11658	14.6
161.13199	7.1
163.03938	4.3
163.11195	6.3
177.16377	4.4
184.30070	3.0
187.14851	5.7
190.73616	2.9
191.17938	3.5
197.04218	3.0
197.05937	3.4
209.18941	6.0
259.09567	4.7
271.24072	6.7
289.25281	20.0
307.26303	20.2
325.27231	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27248	0.4
52.47240	0.4
53.03939	0.8
54.07299	0.4
55.01858	1.1
61.77236	0.5
62.88136	0.4
66.97440	0.4
69.03411	4.6
70.06573	0.5
71.04942	0.5
73.02863	0.7
74.09699	4.5
81.03403	4.3
85.02884	5.0
87.00798	2.3
90.56690	0.5
97.02866	4.6
99.04423	0.8
109.02845	2.0
114.33595	0.5
114.37760	0.4
114.64271	0.5
120.08076	4.1
123.04399	3.2
127.03892	3.3
130.06502	65.5
132.04424	8.8
135.04300	0.6
137.02327	1.2
145.02835	2.2
148.06352	0.9
148.07556	27.0
158.05991	28.3
159.02777	0.6
161.97568	0.5
163.03848	4.0
176.07034	100.0
177.07373	0.6
177.08966	0.6
179.03297	0.5
191.08170	4.0
192.49211	0.5
204.06519	2.8
205.06358	0.5
208.27063	0.5
222.07578	64.7
223.07877	0.5
231.06503	0.6
280.96494	0.5
307.12955	0.6
325.13824	2.2
408.30853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81228	1.9
55.01861	4.3
55.05494	1.7
67.05472	3.0
68.99775	3.5
74.00750	1.7
77.53992	1.6
79.05470	3.9
80.23559	1.8
81.07018	10.6
83.08539	2.2
91.05429	3.4
93.07011	3.3
95.04905	2.4
95.08603	4.5
97.06476	2.3
103.12907	2.1
105.03378	8.6
106.00861	1.9
107.04937	11.5
107.08553	4.8
109.10141	3.2
115.05436	11.2
117.06995	3.9
119.08534	3.3
123.04439	15.3
127.03882	4.7
128.06204	2.1
129.06981	3.3
131.08521	2.5
133.02811	25.0
134.96046	1.8
135.04391	8.6
137.02280	9.0
139.05402	2.0
141.06964	57.7
145.06454	7.3
147.04335	2.0
149.02361	8.1
152.06035	2.5
153.07068	3.9
153.28551	1.9
153.52681	2.2
157.06462	14.5
159.08008	2.6
161.05956	2.9
169.06459	71.6
171.07996	2.3
173.05954	19.2
174.74657	2.3
181.06459	16.1
185.05956	17.0
186.64214	2.4
187.07498	9.8
197.05949	100.0
198.06682	11.1
199.07539	10.4
201.05446	3.4
213.05440	12.2
215.07042	34.1
225.05475	40.5
226.06059	3.9
227.06969	3.4
231.06528	14.1
241.04790	3.4
243.06488	67.9
244.07330	21.7
244.09538	3.1
245.07994	4.8
255.06525	12.6
259.05954	3.3
363.08578	17.7
377.10007	9.6
487.13489	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	487.1387
Annotation	Cassigarol E
Peak:m/z	Relative Intensity
53.03943	0.8
54.70179	0.5
55.01858	0.8
57.03412	0.6
65.03909	0.6
65.04734	0.5
67.05504	1.2
67.32230	0.5
68.99771	4.9
69.41751	0.6
77.03931	1.1
81.03412	3.0
85.02892	0.7
91.05476	1.5
95.04939	3.8
105.03364	3.7
107.04962	3.2
109.02847	0.9
109.10143	0.8
111.09065	0.6
115.05453	2.6
123.04406	100.0
127.03895	7.3
128.06230	0.7
129.06987	3.2
131.08347	0.6
133.02834	7.0
135.04405	5.5
137.02321	18.9
137.03270	0.9
137.05963	1.3
139.05421	2.8
141.06998	7.7
145.06453	2.5
147.04402	2.7
152.06177	0.8
153.06868	1.9
157.06456	5.0
161.05927	0.7
163.03899	3.4
163.07530	0.9
165.06966	4.9
167.04938	2.1
169.06453	13.9
171.04343	1.5
173.05983	5.2
181.06441	4.3
183.08029	0.8
184.05176	1.1
185.05949	19.0
187.07523	1.0
193.06387	2.2
195.04446	1.0
197.05940	23.1
198.06712	4.7
199.07570	2.6
199.38713	0.6
209.05917	1.1
211.07513	4.1
213.05431	13.7
214.06183	0.9
215.06914	6.7
221.05954	4.4
225.05388	8.0
226.06284	3.5
227.06854	2.1
229.05019	0.8
231.06479	43.0
237.05388	1.5
239.06938	6.7
241.04904	7.1
242.05685	1.1
243.06357	8.9
244.07166	5.6
245.08109	1.2
247.07359	1.1
249.05385	2.3
250.06229	2.5
253.04973	4.1
255.06468	36.8
260.08121	0.8
261.09076	2.5
267.06381	10.9
268.07117	1.4
271.07477	1.4
283.05991	1.4
285.08966	1.5
289.08612	1.3
299.07101	0.7
303.10037	1.2
313.08444	4.5
317.08008	1.5
321.11182	0.7
329.08069	1.4
331.09589	3.1
341.07980	1.0
345.07425	6.0
349.10437	0.7
359.09076	4.8
363.08447	5.7
364.09445	4.8
365.10172	6.5
377.10101	28.8
425.34720	0.8
469.12897	2.6
487.13791	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	486.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82154	0.6
55.01867	0.7
55.05503	4.5
57.03429	11.3
57.07063	3.1
58.06304	1.2
58.06592	32.0
59.04991	1.0
59.07371	14.4
60.08156	9.8
67.05506	1.6
68.55382	0.6
69.07063	5.1
71.08630	2.5
73.02911	1.1
75.04445	5.3
76.23166	0.6
81.07035	3.9
83.08614	1.5
85.02897	1.2
87.04453	8.6
93.07008	1.3
95.08594	3.0
96.27591	0.8
97.10169	1.4
98.98493	1.2
102.05527	0.8
103.03914	0.7
105.05479	1.0
109.10126	0.7
121.10155	2.4
122.35100	0.7
131.06964	1.1
144.10175	6.6
156.45641	0.7
159.71996	0.7
162.11275	4.1
165.95760	0.7
194.55513	0.6
236.14886	100.0
314.27805	5.1
395.34363	0.7
424.37802	0.8
435.41699	0.7
468.36807	14.4
486.37845	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77581	4.6
55.05508	78.6
57.07073	43.9
58.76590	4.1
63.77034	4.4
65.91695	5.0
67.05482	34.5
69.07057	100.0
71.08610	26.2
79.05469	9.2
81.07029	40.4
83.08614	52.8
85.10141	8.6
87.04433	7.0
89.84383	4.3
91.86667	5.0
93.07033	27.7
95.08583	37.7
97.06506	19.9
97.10155	42.7
107.08570	25.3
107.76461	4.6
109.10139	21.5
111.08081	5.3
111.11738	19.1
121.10124	40.1
125.09610	10.8
135.11656	24.4
149.13234	9.4
165.99820	4.7
188.24632	5.6
191.17903	25.4
201.78751	4.7
209.18968	20.6
227.20000	20.5
237.22083	7.6
250.54167	4.9
259.26193	6.1
305.11182	4.7
319.22034	5.1
319.34430	5.3
337.57437	5.4
468.15479	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	486.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
54.81738	0.8
55.01873	1.2
55.05507	16.2
61.02896	1.1
61.97769	0.9
67.05506	1.7
69.03406	4.8
69.07061	1.4
73.02879	1.1
73.06521	1.2
74.43448	0.8
79.05470	1.4
81.03394	5.2
81.07037	1.8
85.02889	13.5
87.00818	4.0
91.05461	1.3
93.07018	1.6
95.04951	1.5
95.08575	1.7
97.02892	5.8
97.06525	8.3
99.95380	1.0
105.07010	1.2
106.06582	1.5
107.08588	1.0
109.02849	2.4
110.53542	0.9
119.08528	1.5
121.02874	2.0
127.03887	3.9
149.02328	100.0
157.10083	1.2
163.03900	4.7
167.03404	2.1
194.20122	1.1
203.07007	3.9
215.07005	2.3
221.08061	14.5
259.09540	5.5
368.03204	1.0
499.47168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01875	6.7
57.03429	3.9
57.07064	3.4
61.02924	1.5
68.99798	1.2
69.03418	15.1
69.07083	0.5
71.04983	3.0
71.63735	0.6
73.02906	5.3
78.18322	0.5
81.03409	18.4
85.02899	35.4
87.00821	17.2
87.04448	0.6
91.03932	0.8
91.05446	2.1
97.02879	14.3
97.06539	1.3
99.04440	6.5
105.01855	9.5
105.07030	0.8
107.08615	0.7
109.02875	16.2
115.05438	2.8
117.01847	2.7
117.07008	26.8
123.04413	20.0
127.03905	21.6
129.01796	2.7
145.05051	5.5
145.06476	90.5
147.02885	0.7
147.04391	0.7
155.06047	0.7
157.10078	0.8
159.02861	8.4
162.74486	0.6
163.07523	100.0
164.07867	0.7
169.06538	0.8
187.07501	6.0
190.90602	0.6
213.05487	2.3
214.05846	1.4
215.06969	0.8
221.11717	24.7
231.05009	3.3
242.05273	0.8
249.06018	0.7
253.08467	3.3
259.09473	1.0
393.11960	0.6
453.15195	0.8
496.78275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54119	0.7
52.85730	0.9
55.05511	5.5
56.42427	0.8
57.03432	9.2
57.07072	45.7
57.16420	0.8
67.05495	7.0
69.07065	6.7
70.06597	1.0
71.08617	26.8
79.05491	1.1
81.07044	11.8
83.04986	1.4
83.08613	7.6
85.10175	13.9
86.14072	1.1
89.06068	1.3
93.07044	1.3
95.08591	15.2
97.10140	3.9
97.46792	1.0
98.97852	2.1
98.98456	36.1
107.08619	1.2
109.10146	7.4
117.72672	0.9
118.84612	0.9
121.10068	1.1
123.11687	2.1
137.13321	0.9
155.01016	12.9
173.02094	2.1
202.06996	1.1
239.23557	1.2
283.26291	2.0
307.48489	1.0
313.27338	100.0
381.46298	1.1
393.24063	2.2
449.26514	7.5
484.47037	1.6
485.32269	2.1
485.47330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43292	0.4
53.00302	0.7
55.05507	7.0
57.03431	18.5
57.07071	52.6
67.05497	9.1
69.07055	7.5
71.08615	29.2
71.39005	0.4
71.93909	0.4
72.77079	0.5
79.05455	0.8
79.85703	0.4
81.07047	11.0
83.08611	9.1
85.06541	0.6
85.10167	14.9
89.06012	3.4
92.08678	1.2
93.06998	0.9
95.08585	15.4
97.10148	4.2
98.98455	8.3
99.35326	0.6
103.07545	1.9
109.10154	7.9
111.11664	0.7
123.11677	2.9
125.13286	0.6
137.13268	0.6
155.01019	2.2
209.73300	0.5
216.21143	0.6
239.23695	2.1
257.24554	2.4
313.27335	100.0
314.27698	1.0
330.83118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97245	1.1
60.36868	1.2
69.71447	1.4
76.56491	1.6
76.69478	1.1
96.67149	1.3
98.99913	1.4
107.62507	1.4
114.37626	1.6
132.29285	1.3
161.76108	1.6
167.51779	1.6
224.88405	1.4
226.57239	1.3
257.74753	1.4
274.88870	1.4
280.47995	1.4
392.91162	1.4
438.16061	1.4
458.91174	1.4
485.35922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03380	0.8
61.20947	0.8
69.03407	2.1
71.04962	1.0
79.05463	1.1
81.03415	0.9
85.02876	1.3
85.97504	0.9
97.02885	2.2
123.04440	1.3
127.03919	1.0
135.00496	0.9
147.04439	5.4
163.03894	2.0
268.49796	1.2
294.66638	1.1
347.44052	1.0
361.06976	1.1
409.07336	44.3
425.10519	2.1
453.09973	65.7
485.12570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01635	0.4
57.28611	0.4
57.36443	0.5
61.94242	0.4
63.40490	0.4
66.95815	0.5
67.05492	0.4
84.76830	0.5
84.93191	0.5
85.02898	1.0
87.40922	0.6
90.42380	0.4
92.08638	0.5
96.04498	0.8
101.59360	0.5
115.67020	0.5
122.06029	0.7
123.04397	0.6
127.03906	0.6
134.56943	0.5
140.07095	3.8
147.04489	0.8
158.08110	2.8
163.03879	0.8
175.07449	0.6
177.50206	0.6
224.12367	0.5
230.37531	0.5
290.88260	0.6
295.99191	0.5
345.07532	0.8
352.17139	0.6
361.06967	0.8
409.07330	35.6
424.09644	3.2
425.10410	0.7
439.12192	3.6
441.09985	0.9
453.09912	20.3
467.11551	13.1
485.12561	100.0
486.12634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82236	2.0
64.11017	1.8
69.64555	1.6
70.06574	1.8
85.02862	2.4
85.86440	1.8
91.05486	2.7
98.97578	2.2
119.04874	2.8
135.04413	3.7
136.35968	1.9
137.05974	14.0
147.04402	8.4
163.03854	10.3
182.26192	2.4
203.05217	3.2
245.06305	13.0
289.05237	63.4
441.13608	16.7
447.15204	2.0
485.12543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01860	5.9
55.05509	4.6
57.03424	18.8
57.56545	2.6
60.36116	2.5
61.02907	2.6
67.05490	31.5
69.03408	5.6
69.07056	15.6
71.04978	4.1
79.05477	47.5
81.03397	16.9
81.07042	31.6
83.04954	19.3
85.02888	13.7
87.53582	2.6
91.05469	83.3
93.07032	23.0
95.04973	3.6
95.08567	15.6
97.02850	4.4
97.06491	7.0
103.05453	4.7
105.07023	40.1
107.04958	4.5
107.08562	11.7
109.06496	4.8
115.05445	3.7
117.06997	52.4
119.08572	48.8
121.06480	4.3
121.10094	4.7
123.08036	10.2
128.06204	12.6
129.06978	59.8
131.08565	14.8
133.10092	5.8
141.06973	16.6
143.08546	26.8
145.10127	6.7
147.08083	24.3
147.11632	3.5
153.05447	11.9
154.05760	5.0
154.07668	3.3
155.08438	3.5
157.10077	10.3
157.49638	3.4
159.08034	2.9
159.11670	3.4
165.06995	3.7
167.08528	5.5
169.10101	13.8
171.11667	11.8
185.13184	5.1
187.11133	3.7
195.11647	6.2
213.12749	4.1
292.12558	3.3
297.43262	3.4
305.17456	100.0
305.24774	3.0
352.04706	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	485.1234
Annotation	Cassigarol G
Peak:m/z	Relative Intensity
55.01876	0.8
56.64816	0.5
57.03415	0.5
59.84499	0.5
67.05499	1.2
68.97275	0.6
68.99780	1.2
69.03405	0.8
69.07072	1.2
74.44671	0.6
79.05482	0.8
80.58736	0.5
81.07040	2.7
85.02892	0.8
93.07036	1.0
95.04930	0.7
95.08616	0.9
97.06523	1.3
105.07009	1.2
107.08588	0.8
115.05416	1.0
117.07017	1.2
122.09637	2.4
123.04416	10.0
124.63529	0.6
127.03899	0.6
129.07016	3.8
131.04887	0.7
133.02861	2.6
135.04408	0.7
137.02315	0.9
139.05394	13.6
140.07065	0.9
141.06987	5.7
143.04993	0.7
145.06480	0.8
147.04414	0.9
153.05542	0.7
157.06464	5.6
159.11726	0.7
163.03853	1.1
167.04903	7.2
169.06459	8.0
173.06018	3.7
179.09216	0.5
185.05960	33.3
187.03824	1.1
197.05943	13.3
204.04166	0.7
213.05441	100.0
214.05981	0.9
215.07051	5.3
223.03935	1.3
225.05452	5.6
241.04933	28.7
242.05713	10.0
243.06422	11.0
243.08305	0.7
244.07396	2.2
253.89355	0.7
266.05789	1.3
273.71271	0.6
274.86520	0.6
277.08444	0.7
301.08536	3.1
305.08142	2.4
311.07108	0.6
317.07919	0.8
329.07962	4.5
333.07465	0.9
345.07697	1.3
347.09009	4.1
358.08621	0.7
361.07092	7.1
363.08609	4.0
363.51761	0.6
375.08557	21.6
471.39685	0.8
485.12241	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	485.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39805	0.4
55.01857	0.5
55.05487	0.5
67.05481	0.9
68.99760	2.7
69.03434	1.0
69.07063	0.6
69.50674	0.3
72.18655	0.4
79.05433	0.5
81.03398	0.5
81.07021	2.0
83.04948	0.4
85.02892	0.8
91.05474	0.9
93.07026	0.5
95.04932	0.5
95.08585	0.9
97.06506	1.0
104.63870	0.4
105.03358	0.7
107.08535	0.6
109.10149	0.7
115.05433	0.8
117.06984	1.6
121.10106	0.7
123.04417	11.5
127.03921	0.4
128.06250	0.5
129.06985	5.0
133.02818	1.6
133.10085	0.5
135.04395	0.6
135.11627	0.5
137.02260	0.8
137.05862	0.5
139.05406	15.0
140.07103	0.6
141.06955	5.8
143.04900	0.9
145.06490	0.7
145.10126	0.7
147.04356	1.6
155.08585	0.6
157.06474	5.1
157.10048	0.5
159.11615	0.5
163.03894	1.7
167.04907	8.7
168.05650	0.7
169.06470	7.5
173.05975	3.2
184.05026	0.4
185.05946	37.3
187.03831	0.6
187.07571	0.6
195.04378	0.8
197.05937	15.1
198.06747	0.9
213.05438	100.0
214.06155	1.8
215.06931	4.0
223.03947	0.6
225.05417	5.5
241.04906	27.9
242.05681	8.8
243.06458	10.5
244.07184	0.7
253.04799	0.6
255.08031	0.7
266.05612	2.3
287.06778	0.5
293.08133	0.5
301.08527	2.9
305.07959	2.7
317.08109	0.7
319.09659	1.1
329.08014	5.4
333.07410	2.1
345.07584	3.2
347.09094	2.8
357.07498	0.8
358.08405	0.6
361.07059	4.6
362.07767	0.8
363.08643	3.2
366.30399	0.5
375.03757	0.8
375.08557	24.3
467.11172	0.8
485.12366	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	484.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05506	9.4
56.05827	1.6
57.03428	11.3
57.07064	4.5
57.54649	0.4
58.03741	0.6
58.06593	30.6
58.07372	0.9
58.37813	0.4
59.07372	12.3
60.08152	8.2
65.65833	0.4
67.05495	7.8
67.58247	0.4
68.08617	0.5
69.03356	0.5
69.07051	11.6
70.06524	0.5
70.07360	2.9
71.08585	3.1
73.02885	1.0
75.04454	4.8
79.05486	3.5
81.06671	0.5
81.07038	6.4
83.08183	0.5
83.08606	7.8
84.08918	2.0
85.02856	2.4
86.09651	0.5
87.04452	6.8
91.05440	1.0
93.06995	2.7
95.08555	5.1
97.06527	0.5
97.10150	5.2
98.10458	2.3
98.98448	3.6
103.03899	0.6
107.08551	0.6
109.10139	0.9
123.11625	0.6
131.06998	2.0
135.11682	0.5
144.10179	7.9
149.81387	0.6
162.11215	4.9
236.14886	100.0
290.98883	0.4
311.25687	3.5
312.26117	20.3
312.29633	0.9
448.25464	0.5
455.86841	0.6
466.35205	13.4
484.36264	50.5
484.47400	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88755	1.1
52.91065	1.0
55.05482	1.3
57.07070	2.4
65.35554	1.2
67.05484	1.6
69.07064	7.8
81.07037	10.6
82.16011	1.0
82.39356	1.1
83.08608	2.7
84.41246	1.0
91.05460	1.3
93.07044	7.5
95.08586	24.4
97.10156	2.0
105.07021	1.9
107.08589	16.3
109.10125	13.9
109.90797	1.4
119.08559	1.8
121.10122	18.3
123.11704	2.2
131.08548	1.5
133.10046	2.2
135.08034	5.7
135.11667	19.2
137.13254	4.9
145.10114	2.4
146.33701	1.2
147.11668	2.8
149.09647	5.0
149.13242	9.5
163.07526	5.1
163.14784	14.2
189.16446	2.1
191.17917	100.0
200.20189	1.3
205.15883	10.2
225.89371	1.4
233.15309	38.0
251.16348	9.4
261.18411	2.2
303.23203	1.7
311.29410	1.6
315.23132	2.5
421.34515	1.8
439.35629	81.9
484.47226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
56.96584	0.7
57.07068	100.0
59.64879	0.7
59.99093	8.4
64.33884	0.8
64.59299	0.8
67.00740	0.7
81.06949	0.9
86.06058	12.8
96.22233	0.8
102.03753	1.6
106.81698	0.9
116.05293	21.6
122.06006	39.7
145.04327	4.4
201.10542	42.0
272.71887	0.9
284.11197	5.5
384.66946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76875	0.3
53.00317	0.4
53.03937	3.9
55.01873	3.4
55.05507	12.4
55.23433	0.4
57.03434	6.1
57.12652	0.4
59.99099	7.6
61.02633	0.6
61.02918	12.2
61.04019	0.4
65.04726	0.4
69.03419	24.6
69.07063	0.6
71.04980	3.4
72.08144	9.9
73.02893	5.4
73.06541	58.9
78.00127	0.7
79.05474	0.6
81.03401	11.6
81.69016	0.5
83.01337	0.5
85.02894	100.0
85.07676	1.9
85.30944	0.4
86.06059	6.6
87.04465	2.6
89.04238	2.9
91.03947	4.2
92.09349	1.0
93.07017	0.5
93.97491	0.5
97.02877	32.7
97.06509	2.0
99.04431	5.7
101.02381	0.5
102.03750	1.9
102.99606	1.1
104.97379	0.4
106.06544	64.2
109.02874	8.5
115.08677	10.1
116.07045	0.9
127.03898	17.3
132.04770	86.1
134.06004	3.6
141.06569	2.8
145.03284	0.6
145.04996	18.8
149.07057	0.6
157.13356	5.4
163.03864	0.5
163.06033	0.9
175.05365	5.9
191.11778	2.1
208.05406	3.9
217.10028	11.7
218.40149	0.6
250.10030	0.8
280.11176	2.4
379.15289	35.4
381.44641	0.4
410.59253	0.5
432.86038	0.5
484.21085	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	484.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98959	0.9
51.22903	0.8
53.03938	1.6
55.01870	2.2
55.05509	20.8
57.03434	5.3
57.07079	1.9
57.27230	0.9
61.02924	1.7
61.69511	0.9
65.70455	0.8
67.05497	77.7
68.20507	1.0
69.03417	6.5
69.07055	22.8
71.04663	1.0
71.04970	8.9
78.43150	0.9
79.05473	23.4
80.13621	1.0
81.03390	1.6
81.07044	83.5
83.04968	6.2
83.08601	19.2
85.02896	18.6
85.06522	10.0
85.85477	1.0
91.05457	10.3
91.75642	1.1
92.08676	1.2
93.07030	34.4
95.08590	100.0
97.02884	5.6
97.06536	10.6
97.10161	16.3
99.08041	3.7
104.97465	1.0
105.07013	7.5
106.82030	0.9
107.04955	1.2
107.08596	23.9
109.06480	1.6
109.10151	78.1
111.08084	4.1
111.11670	1.7
117.07015	4.4
119.08554	10.7
121.06587	1.1
121.10126	31.6
123.08057	2.2
123.11687	19.0
125.09621	5.6
125.12643	1.1
127.03912	2.2
131.08527	8.7
133.10123	17.1
133.70811	1.0
135.08098	1.9
135.11681	19.2
137.09628	5.1
137.13240	6.3
139.11179	4.9
145.10117	10.9
147.11731	2.4
149.09628	2.1
149.13266	10.0
151.11191	7.6
153.12799	1.1
159.11661	8.8
161.13240	1.6
163.03949	1.8
163.11177	6.6
163.14847	1.7
171.23462	1.0
173.11694	4.6
173.13264	4.3
177.12778	1.3
177.66580	1.1
179.11777	1.2
181.12187	2.0
187.14833	1.2
191.17917	4.8
195.13847	2.1
209.19078	1.7
215.17924	16.1
223.20508	1.1
229.14034	1.5
233.18973	20.4
251.20023	76.4
252.20413	1.2
255.15848	2.2
269.12912	1.3
269.21091	85.4
287.22110	10.6
305.14859	1.3
305.23160	31.3
308.46506	1.1
349.68362	1.2
380.31284	1.2
401.49142	1.2
442.64279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57698	0.3
51.48616	0.4
53.00302	0.6
53.03935	0.7
55.01860	0.9
55.05506	45.0
57.03430	18.2
57.07068	19.1
58.78423	0.3
60.31430	0.4
63.93018	0.4
64.29745	0.4
65.17237	0.3
67.05505	4.5
69.07055	45.4
70.54766	0.3
71.08614	10.0
76.56080	0.4
79.05466	4.7
81.07038	8.1
83.04953	0.5
83.08604	39.2
85.06510	0.5
85.10184	3.7
91.05466	0.5
93.07014	4.7
95.08573	4.6
97.06509	3.5
97.10149	22.6
98.98447	12.5
101.63811	0.4
105.79041	0.4
107.08585	3.8
109.10125	1.6
111.08048	1.8
111.11717	5.5
121.10141	3.8
123.11674	0.7
125.09602	0.6
126.99020	0.4
135.11674	2.5
149.13263	1.8
150.73553	0.5
153.77225	0.4
155.01080	4.7
163.14716	0.4
173.02188	0.6
192.09076	0.4
219.21005	0.6
237.22063	0.8
257.63153	0.4
298.76379	0.5
311.25742	100.0
312.26038	1.8
365.84686	0.4
376.57690	0.4
447.24872	2.6
483.35388	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	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
53.03931	0.4
55.05507	49.0
57.03429	21.0
57.07069	23.5
62.47316	0.6
64.94381	0.5
65.17793	0.5
67.05495	6.0
69.07056	49.5
70.79706	0.6
71.08617	11.6
79.05470	3.7
79.97501	0.5
81.07051	7.3
83.04956	0.7
83.08604	40.7
85.10166	3.6
87.59473	0.5
92.08572	1.5
93.07028	5.5
95.08583	5.7
97.06516	4.2
97.09515	1.0
97.10149	27.4
98.98447	18.1
107.08610	4.1
109.10162	1.3
111.08065	1.2
111.11722	4.5
114.37965	0.6
121.10166	4.2
121.62853	0.5
123.11687	0.7
125.09658	0.6
125.13238	0.6
135.11674	3.9
144.66910	0.5
155.01031	4.7
163.14845	0.5
173.02107	1.2
185.74245	0.6
219.21216	0.8
223.54858	0.5
280.51556	0.7
311.25751	100.0
312.26260	0.7
447.24918	2.8
483.35632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
56.12283	0.1
64.98817	0.1
67.70322	0.1
68.95602	0.2
80.04994	17.1
81.05781	0.3
85.71988	0.2
88.54180	0.2
96.08107	0.2
102.90374	0.2
106.06517	0.3
108.88401	0.2
112.84701	0.2
124.07565	100.0
125.07849	0.2
157.59546	0.2
177.93196	0.2
186.17165	0.2
466.17108	0.2
493.67676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63895	0.9
61.31131	1.0
67.88060	0.9
69.03398	2.6
69.07043	4.8
79.05469	5.4
81.07018	2.5
85.02895	4.7
91.05444	5.8
96.77197	1.0
97.02859	1.8
97.06519	9.4
106.06540	1.5
107.07327	2.1
108.08113	1.6
112.07559	1.3
116.05005	1.2
117.05735	1.2
118.06514	6.2
120.08069	1.7
122.05997	1.5
124.07577	2.5
125.05973	18.0
134.05975	4.7
136.07556	12.7
137.02321	1.4
140.07037	40.2
142.08606	24.8
146.05989	5.6
152.07048	25.6
162.05486	20.4
164.07031	100.0
165.70850	1.1
166.08577	6.8
178.04991	12.0
180.06526	16.5
182.08096	23.4
182.09569	2.0
239.11786	1.7
242.10388	2.0
257.09238	2.7
257.12784	2.0
260.09409	1.2
267.11111	1.3
285.12311	19.7
288.10938	1.9
303.13321	72.5
321.14404	37.3
367.96445	1.1
433.50986	1.2
460.33029	1.1
478.75714	1.1
483.11655	1.4
483.19638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
62.13947	0.1
67.05503	0.2
69.03423	0.3
74.14534	0.1
79.05447	0.1
80.04996	14.6
81.03407	0.4
81.05782	0.2
81.07062	0.2
85.02885	0.3
86.56311	0.1
88.80886	0.2
94.06530	0.4
95.08576	0.2
96.04475	0.2
96.08105	0.3
106.06522	0.6
107.08554	0.3
109.10139	0.2
119.08555	0.2
121.10126	0.2
124.07565	100.0
125.07919	0.6
135.07935	0.2
136.59628	0.2
147.04402	0.2
163.03929	0.2
167.23129	0.2
190.17822	0.1
214.08524	0.3
237.41321	0.2
263.16544	0.2
268.13269	1.0
286.14349	1.1
286.17114	0.2
448.19632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66026	8.6
56.96566	19.9
59.01613	8.2
71.03692	8.7
73.25847	9.2
76.66172	9.9
85.02876	13.7
97.02890	21.5
98.97580	88.8
100.31691	12.5
113.03426	11.8
116.98582	90.7
119.01891	43.7
134.99640	71.5
137.02869	11.1
153.00682	13.6
177.00972	10.7
196.86760	18.4
219.01997	22.1
232.96645	9.8
256.96631	11.4
258.99808	18.5
261.03088	77.4
263.02557	12.0
274.76724	9.8
274.97729	74.5
277.00919	53.4
282.99643	13.4
292.98444	12.2
298.97739	43.9
301.01065	20.1
316.98788	100.0
440.98779	39.9
448.92551	13.7
458.99924	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.03421	1.5
62.60621	0.3
62.88791	0.4
67.05482	1.0
69.03414	0.5
69.07051	0.9
75.04851	0.3
79.05470	7.9
81.07033	6.7
83.08590	0.5
85.02883	0.4
91.05457	7.0
93.05757	0.9
95.04938	1.4
95.08573	0.6
96.08106	0.5
97.06512	12.8
104.04988	0.9
105.05801	0.5
105.06982	0.4
106.06568	0.8
107.04941	0.5
107.07344	0.4
107.35882	0.4
108.08086	1.0
109.06527	0.5
116.04942	1.6
117.05750	2.7
118.06525	9.2
119.08562	0.3
120.08126	1.4
120.08929	0.4
122.05931	0.4
123.08067	0.6
124.07582	2.0
125.05968	26.1
126.09087	0.6
134.06053	2.9
136.07564	13.0
138.09151	0.8
140.06998	3.8
142.08617	30.9
146.05965	6.1
151.06277	0.4
152.07059	4.3
160.03902	0.5
162.05475	20.3
164.07040	100.0
166.04892	0.7
178.04968	18.5
180.06544	11.5
182.08093	31.5
196.06052	2.0
207.14984	0.4
214.10828	0.4
229.09720	0.7
229.13419	0.6
231.14812	0.7
239.11763	0.5
241.13316	0.6
242.10280	1.3
257.09152	4.5
257.12735	2.4
259.07092	2.2
259.14673	0.4
267.19464	0.4
275.13907	4.2
275.18747	0.4
285.12253	14.2
288.10986	0.7
303.13354	38.4
321.14380	7.0
346.75391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63630	1.6
53.50623	1.4
55.05502	7.5
55.13602	1.5
57.07066	85.7
59.45091	1.7
61.90066	1.7
69.07052	13.6
71.08611	62.4
73.06526	2.5
78.44153	1.6
81.07037	1.9
83.08600	2.9
85.10168	29.5
86.03135	1.8
89.06013	100.0
97.10149	2.2
97.74153	1.8
99.11691	2.3
113.13289	2.3
133.08586	40.5
162.63438	1.8
177.11168	16.2
220.66821	1.8
239.14771	3.1
270.28989	2.1
283.17468	31.0
293.04584	2.2
315.28958	3.5
315.76779	2.2
384.25308	2.0
465.37781	49.5
482.36856	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	482.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37318	3.1
55.05494	16.6
57.07067	28.6
67.05474	7.0
69.07057	36.3
71.08612	23.8
76.60675	3.6
79.05448	8.7
81.07036	30.4
83.08598	16.9
85.06524	5.0
85.10166	7.1
87.69304	3.6
88.57241	3.3
89.06013	96.9
91.05464	6.2
93.07011	20.1
95.08574	27.0
97.06507	17.7
97.10145	9.2
105.07014	17.3
107.04930	5.1
107.08585	21.8
109.10112	25.9
111.11694	4.2
119.08570	18.7
121.10154	15.1
123.11634	6.1
125.05945	4.5
131.08572	8.2
133.08603	33.9
133.10091	16.4
135.11676	6.0
143.07010	52.6
143.08086	4.6
143.08437	4.2
145.10078	8.1
147.08086	4.9
147.11646	17.9
157.10069	3.8
159.11632	15.4
161.09575	4.5
161.13248	6.5
171.08124	3.6
171.11693	5.5
173.13257	6.5
175.11096	3.7
175.14793	4.4
177.11191	5.3
185.13208	5.0
187.14853	4.7
189.09027	4.4
283.17444	46.6
379.10022	4.1
401.33939	17.6
411.32587	25.7
413.29901	3.9
419.34967	21.0
429.28003	4.3
429.33612	100.0
447.34628	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
55.01870	8.2
55.05265	1.3
55.05506	32.5
57.03415	2.5
67.05497	18.1
68.88057	1.0
69.03421	6.3
69.07056	13.3
71.04973	6.3
72.31105	0.9
79.05483	20.8
81.03405	3.8
81.07040	35.1
82.50442	1.1
83.04958	2.1
83.08607	38.5
83.69977	1.3
85.02888	10.6
85.06518	1.1
91.05469	15.6
93.06475	1.8
93.07028	27.4
95.04938	5.3
95.08590	53.1
97.02853	2.0
97.06504	4.8
97.10139	9.1
105.07009	18.0
107.08559	12.6
109.06503	8.3
109.10141	16.3
111.08078	16.0
117.07034	1.3
119.08566	34.0
121.10131	24.6
123.08045	31.9
123.11683	2.2
125.09602	7.6
127.07442	1.3
129.06972	1.2
129.09081	3.9
131.08540	6.3
133.06496	1.1
133.10118	13.5
135.08064	4.1
135.11684	7.7
137.05952	4.4
137.09598	21.7
139.07529	1.6
139.11189	7.3
145.10123	4.3
147.08043	6.1
147.11652	12.4
149.09598	4.9
149.13240	5.7
151.07515	8.2
153.09045	2.2
157.10130	1.7
159.10100	1.3
159.11647	1.1
161.05931	1.5
161.09583	2.4
161.13278	2.3
164.06799	1.0
165.09120	2.1
165.12714	4.9
171.11650	4.2
175.11191	2.0
179.10686	1.1
185.13237	1.0
187.66335	1.1
189.16356	5.8
191.66901	1.1
203.17998	9.3
213.16359	7.7
219.11505	1.0
221.18980	1.5
223.20644	1.5
225.18452	8.0
231.17418	7.5
249.18472	23.1
267.19479	50.4
277.43372	1.0
285.20560	100.0
303.13510	1.5
303.21585	16.0
340.50073	1.2
355.15875	1.1
497.21518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68232	1.5
53.03947	2.3
55.01861	9.6
55.05505	30.7
57.03407	1.5
57.07062	6.5
59.04982	1.7
67.05492	37.8
69.03415	2.5
69.07048	15.8
71.08613	3.6
74.31219	1.4
79.05479	30.0
81.03391	10.1
81.07041	36.9
83.04957	6.4
83.08611	23.1
89.06033	11.8
91.05459	33.8
93.07024	36.5
95.04388	2.9
95.04942	41.5
95.08584	21.2
97.06509	8.0
97.10140	6.6
101.23935	1.5
105.07011	42.7
107.04949	13.1
107.08582	23.4
108.58524	1.4
109.06529	8.7
109.10159	16.6
111.08072	6.7
117.07012	17.0
119.08553	39.0
121.06496	6.8
121.10123	19.0
123.08026	3.0
123.11766	1.5
125.09618	2.4
129.07050	2.7
131.08536	17.2
133.08583	3.7
133.10123	29.9
135.08037	7.7
135.11679	9.8
137.09595	6.5
138.54292	1.7
143.08554	2.1
145.06461	1.7
145.10104	26.8
147.11670	13.3
149.09590	33.4
151.11168	2.8
155.08571	3.8
157.10139	3.5
159.11639	13.0
161.09610	2.2
161.13261	2.3
163.11166	30.3
165.12677	2.5
169.10095	2.9
173.09598	2.3
173.11748	2.1
173.13210	6.6
175.11189	1.8
177.12666	2.1
183.11676	2.3
189.11157	2.4
191.14513	1.8
202.72264	1.6
213.39359	1.8
216.84666	1.6
223.13316	18.3
229.19395	3.1
239.17891	9.7
257.19037	14.0
275.20020	100.0
283.17422	2.8
293.21027	39.1
347.69244	1.6
482.26328	6.5
482.64188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01860	3.1
55.05507	13.4
57.03433	12.3
57.15269	0.5
61.02912	5.5
66.81341	0.5
67.05499	14.8
69.03419	5.2
69.07052	5.6
71.04973	4.1
73.02903	1.3
79.05474	17.4
81.03398	56.4
81.07037	19.2
83.04969	15.7
83.08603	17.0
85.02891	26.8
85.06526	2.4
91.03944	1.1
91.05462	23.0
93.07024	11.1
95.04945	20.8
95.08605	7.5
97.02882	5.2
97.06508	2.4
97.10146	3.0
99.04488	0.7
105.07008	16.4
107.04923	4.5
107.08563	6.2
109.06496	3.1
109.10136	1.0
111.04437	2.3
111.08070	8.4
113.05981	2.3
115.05415	0.8
119.08559	15.6
120.08015	0.5
121.06529	0.9
121.10104	8.3
122.35947	0.6
123.08038	3.6
123.11693	2.2
129.06985	10.0
131.08537	10.1
133.06458	2.4
133.10117	11.0
135.11687	0.9
137.09608	1.3
138.05522	0.9
142.07779	1.4
145.10109	1.4
147.04433	0.8
147.08064	1.4
147.11668	12.9
147.12727	0.8
149.09601	6.3
157.10106	12.5
163.11104	0.9
165.12679	2.5
175.11171	13.0
181.12189	0.8
193.12213	39.8
211.13280	22.2
267.15836	8.1
267.18451	0.9
285.16913	100.0
303.21664	0.7
325.83771	0.6
447.21878	2.2
481.23169	0.7
482.15128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.01295	0.9
55.01884	3.5
55.05507	13.2
55.77487	1.0
56.84462	0.7
57.03431	13.5
61.02923	8.4
67.05489	17.9
69.03426	5.8
69.07057	9.4
71.04980	2.2
73.02905	1.9
79.05470	20.3
81.03401	73.5
81.07040	24.8
81.83196	0.9
83.04966	15.3
83.08601	23.1
85.02892	30.4
85.06530	1.8
87.00837	1.4
91.03925	1.4
91.05466	29.5
93.07022	16.4
95.04952	31.1
95.08035	1.6
95.08556	10.6
97.02865	8.2
97.06523	5.9
97.10158	1.9
99.08071	1.7
105.07016	18.2
107.04961	5.9
107.08570	10.9
109.06519	5.1
109.10155	4.5
111.04416	2.0
111.08069	11.3
111.11755	1.2
113.05994	1.1
115.05457	1.4
117.06978	1.7
119.08540	18.5
121.10117	13.8
122.03616	1.2
123.08038	3.6
123.11694	2.4
125.09608	1.1
127.03912	4.5
127.07506	2.1
129.06973	13.8
131.08562	10.9
133.06474	2.0
133.10114	11.6
135.11699	1.5
137.05963	9.7
138.06302	1.3
139.11177	10.5
142.07758	2.0
147.08061	2.4
147.11673	18.4
149.09639	7.5
157.10097	15.7
165.12712	4.0
166.15842	1.0
175.11172	16.4
193.12206	54.5
193.13930	1.9
199.13246	7.6
211.13258	46.1
222.83147	1.0
267.15906	19.9
267.19379	1.7
285.16916	100.0
287.05243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03345	0.1
65.32674	0.1
74.09729	0.1
77.03885	0.2
79.05485	0.5
85.02854	0.2
91.05476	0.7
93.07031	1.1
103.05458	5.2
107.04940	1.8
118.41585	0.2
120.08089	100.0
121.08469	0.7
130.84770	0.1
131.04907	2.7
137.06039	0.2
147.04378	0.2
149.05984	1.6
157.37332	0.1
166.08612	26.0
221.76642	0.1
274.63025	0.1
343.15881	0.2
454.19501	0.1
473.02228	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	481.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04316	1.4
61.65321	1.2
62.08980	1.2
72.29370	1.5
84.34422	1.5
99.98914	1.4
107.08614	1.7
135.97729	1.5
151.13849	1.6
151.89902	1.7
180.67819	1.6
340.69815	1.7
481.36526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
67.05486	2.9
68.05014	0.8
69.03424	5.0
70.06573	2.5
79.05451	0.6
81.03399	1.8
81.07033	0.5
82.06547	2.2
83.04966	0.9
85.02888	2.9
86.99006	0.5
89.03896	2.4
91.05460	0.6
92.08611	1.7
93.05743	0.5
93.07049	0.5
94.05961	0.7
94.06547	14.9
95.04947	1.0
96.04469	28.6
97.02873	6.3
99.04427	0.8
107.04927	2.2
109.02863	0.8
109.17906	0.4
110.06004	4.3
111.04414	1.0
112.07590	17.0
117.03342	3.0
119.08468	0.5
121.06490	0.5
122.06010	31.8
123.04425	0.8
127.03899	0.9
128.07063	5.3
130.08609	0.8
135.03497	0.6
135.04420	10.4
136.04034	0.5
137.02350	3.5
137.05960	1.0
138.02641	0.9
139.02855	0.5
140.07051	77.7
145.02847	7.5
149.05960	4.9
150.06331	1.7
151.03914	5.4
151.07504	0.5
152.04243	0.5
157.07605	0.8
158.08107	100.0
163.03873	45.6
177.05478	4.0
178.05838	1.0
181.04980	0.5
181.12239	0.5
186.05460	1.0
209.35831	0.4
212.03708	0.9
238.09781	0.4
240.03378	0.9
253.20689	0.5
282.04279	0.5
301.10715	0.5
302.10999	0.6
325.09113	5.9
331.15347	0.8
344.04193	1.0
352.13785	0.7
413.00583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.0
53.99464	1.0
55.01859	7.7
55.05516	10.4
57.03417	5.6
57.07073	9.6
60.24583	1.1
61.02903	5.7
63.56617	1.2
67.05494	16.7
69.03081	1.4
69.03419	39.4
69.07047	10.2
71.04964	5.0
73.02888	5.8
79.05463	2.9
81.03408	26.7
81.07043	39.6
83.08610	10.8
85.02892	100.0
85.06520	1.5
87.00323	2.6
87.00816	47.9
88.93079	1.2
91.05450	2.2
93.07021	6.7
95.04900	1.2
95.08003	2.4
95.08586	47.2
97.02863	26.1
97.10145	12.1
99.04437	14.6
99.08092	1.9
105.01163	2.1
105.01854	45.8
107.08568	1.6
109.01052	1.2
109.02868	26.9
109.10146	54.2
111.74630	1.2
113.09652	1.6
115.11158	1.4
119.08600	1.6
120.39430	1.2
121.10110	2.3
122.03625	1.4
123.11685	50.5
127.03899	47.9
129.01823	2.4
133.10133	1.7
137.02283	1.4
137.05966	17.4
137.13219	18.0
145.04947	17.0
155.24077	1.2
159.02834	10.3
179.17932	27.6
189.03969	1.8
197.18985	32.3
213.03973	2.0
231.04956	15.7
249.05980	14.6
283.18906	2.0
444.98804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55209	4.6
52.82596	4.1
52.85773	3.4
56.71163	4.3
60.37950	4.1
69.08249	5.0
77.26029	4.7
87.05770	4.6
90.99358	4.3
92.08665	15.3
93.07072	3.9
112.79816	4.3
116.33557	4.8
141.19855	4.8
360.12125	5.9
360.21994	5.0
481.36484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01873	8.3
55.02085	0.9
55.05500	12.1
55.93402	1.2
57.03423	7.2
57.07061	9.5
61.02908	7.0
67.05495	16.1
68.99799	1.1
69.03414	48.0
69.07068	8.0
71.04974	4.5
71.08639	1.1
73.02902	6.8
79.05489	5.0
81.03407	30.5
81.07040	34.7
83.01306	1.2
83.04987	2.0
83.08616	10.0
83.09061	1.3
85.02891	100.0
87.00815	53.8
87.04422	1.6
87.54807	1.0
91.03933	1.5
91.05441	1.3
93.07043	4.9
95.04969	1.8
95.08585	50.4
97.02877	31.4
97.10128	10.0
99.04441	16.2
101.02360	1.3
105.01855	56.7
105.07034	2.4
107.05016	1.0
107.08600	6.8
109.02865	27.3
109.10139	47.3
110.10529	1.3
117.01772	1.8
117.06944	1.7
119.04984	1.5
119.08555	4.2
121.10134	5.0
123.02945	1.7
123.11686	49.6
127.03892	58.0
129.01862	4.6
135.04390	2.0
135.11678	4.0
136.04706	1.6
137.02351	10.9
137.05907	1.5
137.13213	14.6
138.02661	6.4
145.02846	1.9
145.04935	17.9
145.10164	2.0
147.04417	2.2
159.02864	8.8
163.03889	13.9
163.11160	6.2
164.04214	7.3
179.17917	23.3
184.07297	1.5
197.18970	21.3
213.03973	2.0
227.12733	5.7
231.04968	21.0
249.06021	14.2
269.86908	1.1
283.15314	10.8
312.52728	1.1
331.04211	1.2
371.29489	1.2
427.23318	1.3
480.18649	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	480.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66017	0.1
53.03940	1.2
55.01862	0.3
55.05502	1.9
57.03425	0.2
61.02908	0.2
65.03928	0.3
69.03416	2.8
71.01321	0.2
71.04974	0.2
73.06529	0.4
81.03400	3.7
81.22197	0.2
83.04977	2.2
84.77695	0.2
85.02903	1.2
85.06522	0.3
92.97104	0.2
93.03388	0.9
95.04939	0.2
95.08606	0.2
96.04436	0.2
97.02873	3.4
98.97351	0.2
99.04438	1.0
101.06002	0.7
105.11465	0.2
109.02864	1.9
111.04427	35.2
113.05978	1.4
114.05489	0.3
117.57082	0.2
121.02828	0.3
121.65502	0.2
124.45783	0.1
127.03912	2.5
129.05475	0.3
131.33929	0.2
132.06566	0.3
137.02322	100.0
138.02632	0.3
155.03358	3.7
197.11609	0.2
215.12814	0.2
263.05353	0.2
281.06503	2.0
288.67670	0.2
298.66165	0.2
299.07556	7.6
299.10919	0.3
309.05771	0.2
315.06915	0.2
395.09631	0.3
413.10715	0.7
430.13458	0.4
480.11777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
53.95072	0.1
55.01825	0.1
58.43528	0.1
60.63847	0.1
65.03916	0.2
68.90086	0.1
69.03414	1.5
71.01350	0.1
73.02900	0.1
73.06811	0.1
81.03393	1.9
82.71033	0.1
85.02877	0.6
91.12346	0.1
93.03394	0.5
97.02884	3.3
99.04455	0.2
109.02880	1.3
111.04445	2.8
112.32336	0.1
127.03889	2.1
129.38820	0.2
137.02325	100.0
138.02681	0.3
151.75066	0.1
155.03377	3.4
188.46103	0.1
242.72018	0.1
263.05484	0.3
269.58618	0.1
281.06549	1.6
299.07559	9.4
309.05972	0.2
350.54736	0.2
377.08731	0.2
395.09793	0.2
413.10724	0.8
463.94522	0.2
464.00638	0.1
502.29874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
57.98372	0.2
65.03941	0.4
69.03421	1.3
73.02882	0.3
76.92996	0.2
79.05472	0.3
81.03414	0.5
85.02880	2.0
87.00828	1.5
91.05460	10.4
91.05993	0.4
94.04169	0.5
97.02879	0.5
98.97536	0.2
105.01867	1.2
107.04940	0.4
109.02850	0.4
109.86448	0.2
119.04922	30.6
122.03634	2.9
122.81120	0.2
127.03903	1.1
134.99428	0.2
135.04347	0.9
136.05132	0.3
137.05957	100.0
145.04924	0.3
147.04390	53.7
151.07518	2.3
161.05931	0.4
163.03896	0.3
164.04657	0.5
165.05421	0.3
168.70982	0.2
179.07004	26.5
186.89310	0.2
197.08057	6.8
202.13875	0.2
243.01013	0.2
391.10007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94604	1.1
53.03941	2.1
55.01856	9.0
57.03410	1.5
61.49152	1.2
61.66744	1.2
65.03911	2.0
68.58101	1.3
69.03419	3.3
70.79832	1.5
75.21758	1.4
79.05472	6.7
81.03399	6.1
81.07047	3.4
83.04947	2.2
85.02881	7.7
85.06503	1.6
87.00823	1.4
91.05461	77.6
93.07014	9.4
95.04947	3.7
95.08574	2.2
95.18026	1.4
97.02882	5.8
99.04432	6.6
102.04585	1.6
103.05451	11.9
105.01830	2.1
105.03362	13.4
105.07008	21.8
107.04920	11.9
109.06495	19.2
111.04403	2.1
115.05438	2.6
119.04922	100.0
119.08566	2.7
121.06464	8.2
122.03606	3.4
123.08054	10.7
127.03868	5.4
131.04909	7.5
133.02800	2.0
133.06470	12.0
133.10092	6.4
135.04390	1.9
135.08031	2.0
137.02319	22.9
137.03279	2.4
137.05957	92.3
143.05003	1.9
145.06430	2.1
147.04381	33.3
147.08012	2.1
149.05956	8.3
151.07523	38.2
151.11104	1.8
155.03416	2.0
159.08064	3.2
161.05959	28.8
161.76474	1.9
162.06732	12.5
163.03891	2.8
172.05159	2.4
175.07516	17.0
179.06982	25.9
179.10745	2.6
187.07466	13.3
188.07820	1.7
190.06154	2.0
191.08542	1.9
193.03171	6.3
193.08434	4.8
197.11670	3.4
197.22638	1.6
199.07384	3.0
205.08620	12.3
211.79535	1.5
215.12050	1.7
217.08517	1.9
219.08043	8.0
231.07961	1.8
235.09756	2.0
243.08684	12.1
244.09457	33.7
245.09851	22.3
247.07591	6.3
251.10600	3.3
259.07681	1.6
265.08569	2.5
273.54987	1.4
279.10056	7.3
283.08368	1.6
291.10065	5.9
297.11252	5.7
308.09399	1.7
309.11105	15.9
311.12808	7.4
311.29010	1.4
329.13943	2.2
341.13635	11.2
359.14716	2.3
379.15717	8.9
380.16360	9.2
387.12537	2.3
475.95859	1.6
508.76022	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	479.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.2
57.03438	0.6
57.07068	5.8
58.88384	0.5
67.05178	0.8
67.05495	10.9
69.07061	12.3
79.05459	3.1
80.00662	0.7
81.07042	21.8
83.08598	4.2
85.06529	6.7
91.05436	1.2
93.07027	4.0
94.12207	0.5
95.08586	17.1
97.10154	0.8
105.07021	2.8
106.03964	0.5
107.08569	4.5
108.42871	0.6
109.10148	11.5
111.11739	0.7
119.08585	4.4
121.00260	0.5
121.10127	3.4
122.07272	0.7
123.08048	1.0
123.11656	3.4
131.08549	0.8
133.10101	1.2
135.08032	3.2
135.11671	0.9
137.09596	9.7
137.13257	0.9
143.08571	0.8
144.14410	0.6
145.10056	1.0
147.11591	0.7
149.09610	9.5
149.13278	0.7
151.07494	0.8
157.10233	0.8
159.11668	0.8
161.09612	0.7
163.11153	4.9
163.14946	0.6
163.95059	0.6
165.09084	100.0
170.10947	0.6
173.09572	1.3
174.10310	1.0
175.11151	3.0
177.09082	5.6
179.10754	0.6
185.13167	0.7
189.09062	3.5
189.12769	2.2
190.09721	1.0
191.10617	5.5
199.11154	1.0
201.12717	0.7
202.09827	1.4
203.10663	10.2
203.14474	0.7
205.12201	10.2
216.11378	0.6
217.12213	2.3
219.13815	0.8
231.13756	2.3
288.78497	0.6
361.27509	0.7
425.33899	4.2
443.35187	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	480.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01852	0.3
55.05507	0.4
57.03424	1.5
57.96191	0.2
59.19766	0.2
61.02920	0.3
65.03941	0.3
67.05486	0.6
69.03422	2.6
69.07059	0.3
71.04964	0.6
77.14711	0.2
79.05485	0.4
79.68401	0.3
81.03386	1.8
81.07044	1.4
83.04996	0.3
85.02891	3.4
87.00783	0.3
87.39770	0.3
91.05460	6.2
93.07025	1.5
94.68893	0.3
95.04979	0.4
95.08562	0.5
97.02876	5.7
99.04433	0.6
103.66296	0.3
105.07021	1.4
107.04939	1.2
107.08595	1.2
109.02891	1.0
109.06483	0.3
109.10137	1.2
115.05459	0.3
117.07043	0.3
119.04925	20.2
119.08582	0.3
121.06474	1.2
121.10111	1.6
121.14807	0.3
126.05508	0.3
127.03867	1.4
133.10153	0.4
137.02309	1.6
137.09647	0.4
138.02695	0.3
145.10146	0.7
147.04396	100.0
151.11108	0.3
161.09665	0.3
163.03851	1.5
163.11107	0.5
165.05476	1.4
209.11711	0.3
225.09038	0.6
253.12315	0.3
271.13144	0.5
283.15439	3.1
291.08722	0.5
306.56189	0.4
309.09613	9.2
421.44043	0.4
432.01511	0.3
443.84222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.01015	0.9
55.01864	7.9
55.05507	1.3
56.13985	0.9
65.03922	4.3
67.05498	1.1
69.03419	8.0
71.04975	1.5
71.92356	0.9
72.17879	1.0
79.05471	7.7
81.03394	2.2
81.07030	1.4
83.04964	1.7
85.02888	5.5
87.89887	1.0
91.05462	80.0
93.07008	5.5
93.11381	1.1
94.04184	1.8
95.04950	4.2
97.02885	2.6
97.06503	1.2
99.04419	2.4
100.13697	1.1
103.05433	10.0
105.03374	15.4
105.04482	1.2
105.07015	19.6
105.95649	1.1
107.04929	7.3
107.08549	1.2
109.06513	19.2
111.04394	1.3
113.06025	1.3
115.05418	2.2
117.06996	4.7
119.04920	100.0
119.08572	4.5
121.06493	9.3
121.10086	1.3
122.03632	5.1
123.04368	1.4
123.08034	9.5
126.05629	1.2
127.03876	1.4
129.07043	1.2
130.04138	1.5
131.04898	4.7
132.05640	1.2
133.06464	12.3
133.10114	4.5
135.04369	4.5
135.08070	1.1
137.02335	21.4
137.05957	96.4
144.05750	1.2
145.06500	1.9
147.04387	38.3
147.08052	5.2
149.05969	6.8
150.06752	2.0
151.07524	42.7
155.03391	2.4
159.08000	4.7
160.05176	2.1
161.05934	29.2
162.06728	14.9
163.03911	7.5
165.05467	2.3
166.16690	1.1
175.07515	19.8
178.00844	1.5
179.06992	20.7
179.10460	1.5
187.07541	10.2
190.07787	1.3
191.08534	5.8
193.03128	8.8
193.08606	7.2
194.40926	1.0
197.11752	1.4
203.08565	1.4
205.08542	16.0
207.08017	1.6
219.08000	4.9
220.08713	1.1
231.08057	2.0
233.09756	1.1
235.09662	1.9
238.73456	1.2
244.09515	1.2
247.07504	2.6
251.02081	1.3
251.10677	2.0
259.07526	1.7
269.03491	1.1
269.11719	1.5
279.10190	5.5
291.10037	2.3
295.09760	1.2
297.11124	1.3
298.82703	1.2
299.05530	1.8
309.11151	12.4
311.12674	5.3
323.12671	2.2
329.06653	2.1
329.13730	2.2
341.13797	9.2
359.14917	1.6
380.17316	1.3
380.93820	1.1
403.03326	1.5
412.27023	1.2
467.22739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Clathriol
Peak:m/z	Relative Intensity
55.05503	23.9
57.07061	34.7
65.78733	5.0
67.05494	6.8
69.07049	35.4
71.08616	11.5
76.55762	5.5
79.05481	7.7
81.07037	44.9
83.08614	20.9
85.06558	5.3
85.10168	7.5
93.07008	23.8
95.08590	35.6
105.06985	13.6
107.08567	29.5
109.06570	5.5
109.10142	26.3
119.08560	23.0
121.10141	22.5
133.10121	11.4
135.11652	21.5
145.10136	8.4
147.08038	8.6
159.11627	9.4
161.13289	6.7
165.09044	12.0
189.09003	9.0
192.18219	6.8
225.04189	9.1
234.35634	6.4
303.73184	7.2
329.52774	5.7
411.17828	7.2
425.33948	34.3
426.34210	7.1
443.35092	100.0
444.35300	10.5
461.36267	22.6
479.34933	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.4
53.03931	0.3
55.05503	9.0
57.03419	0.7
57.07067	4.0
59.03897	0.3
61.94793	0.3
66.21738	0.3
67.05151	0.4
67.05493	11.1
67.76869	0.3
69.07052	11.6
71.04976	0.6
71.08613	0.6
79.05457	3.3
80.18731	0.3
80.62124	0.3
81.07037	23.9
81.70433	0.3
83.04943	0.8
83.08607	3.6
85.06526	6.9
86.53925	0.3
91.05463	1.8
93.06587	0.3
93.07033	5.2
95.04922	0.4
95.08583	18.9
97.10143	2.5
99.07996	0.6
105.07002	2.1
107.08581	4.1
109.10141	11.9
109.58492	0.4
111.04411	0.5
111.11722	0.5
117.06979	0.5
119.08546	4.8
120.29604	0.3
121.06473	0.5
121.10117	3.1
122.07249	0.6
123.11691	3.6
131.08553	0.7
133.10104	1.4
135.08029	2.7
135.11693	1.5
136.08861	0.3
137.08649	0.5
137.09599	10.6
137.13243	2.4
139.07497	1.5
142.07785	0.4
143.08525	0.3
145.10098	1.6
147.11649	0.6
149.09610	10.4
149.13161	1.2
151.07457	1.3
157.10110	0.7
159.08046	0.6
159.11674	0.8
161.09566	0.6
161.13263	0.4
163.11154	4.3
163.14815	0.4
165.09077	100.0
171.11662	0.6
173.09592	1.9
173.13287	0.5
175.07474	0.8
175.11148	2.7
176.08292	0.7
177.09082	5.1
177.12762	0.6
179.10669	1.3
183.41035	0.3
185.13295	0.5
187.11186	1.7
188.08368	0.4
188.11911	0.7
189.09108	3.9
189.12715	1.4
190.09816	1.8
191.10625	5.9
196.55768	0.4
199.11151	2.0
201.12598	1.2
202.09904	1.4
203.10617	9.9
203.14308	1.9
205.12193	10.7
213.12791	0.5
216.11449	0.8
216.31252	0.3
217.12253	0.8
219.13811	0.6
229.12332	1.3
231.13829	2.5
243.13510	0.4
245.15265	0.5
273.25574	0.6
279.26804	0.6
313.21997	0.3
321.20352	0.5
415.31799	0.5
425.34207	2.3
443.35132	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	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01446	8.3
55.05502	14.3
57.07071	100.0
67.93165	7.5
69.07045	44.2
71.08614	55.6
79.05515	10.5
81.07059	37.9
83.04996	8.8
83.08623	36.6
85.10164	35.7
92.64694	10.1
93.07040	20.1
95.08611	20.9
97.10133	11.6
101.05975	16.3
107.08562	17.8
109.06504	15.1
109.10145	11.9
111.11640	8.4
121.10147	35.5
127.07555	56.1
129.05453	41.6
135.11607	12.5
160.94000	8.3
163.14827	9.0
190.93156	10.2
200.54240	8.4
247.48470	9.5
384.37302	9.6
472.64389	10.0
479.34790	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3728
Annotation	Clathriol
Peak:m/z	Relative Intensity
51.57438	2.8
53.03358	3.5
53.79470	3.1
55.05489	8.9
56.25821	3.2
57.07059	19.4
61.48979	3.4
67.05476	16.5
69.07065	31.3
71.08604	25.2
79.05457	5.2
81.07021	34.2
83.08605	19.3
91.05435	5.0
93.06995	16.8
95.08577	31.2
97.06526	5.0
97.10133	15.7
99.09223	4.0
105.07019	16.4
107.04932	8.3
107.08549	15.5
109.10130	19.0
111.11715	5.0
116.62649	4.0
117.06931	5.3
119.08593	4.5
121.10102	9.2
123.11636	5.8
129.06964	4.3
131.08530	8.3
133.10100	20.9
135.11642	9.1
143.08539	9.1
145.10085	8.5
147.11670	7.9
157.06529	3.7
157.10112	7.5
159.11569	4.9
161.09540	9.0
161.13269	6.3
171.08009	5.1
173.13193	5.9
185.13231	5.0
189.09091	9.1
191.93909	3.6
207.10144	4.9
216.35237	3.8
343.29907	4.6
401.34122	16.7
404.37082	4.1
407.33212	4.6
425.33954	24.8
443.35159	100.0
461.36230	20.6
464.68814	4.1
479.34576	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	479.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36517	1.7
66.67327	1.7
67.18793	1.8
73.24244	2.1
92.09325	2.3
114.37265	2.7
114.38114	2.2
132.90535	2.5
134.29236	1.9
137.12440	2.6
158.44545	2.2
167.49881	2.0
177.18379	2.4
241.08794	2.2
243.17203	12.6
288.10120	2.2
479.34885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83908	0.7
55.54432	0.8
75.47929	0.9
81.07045	1.8
91.64429	0.9
95.08546	1.1
119.27920	0.9
134.26883	0.8
147.01147	1.0
220.03230	0.9
236.34412	0.9
373.76620	1.0
461.33893	3.5
479.34897	100.0
480.35376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90928	3.7
55.05500	9.4
57.07076	43.9
69.07050	23.1
71.08618	34.3
79.05463	7.5
81.07052	27.0
83.08598	9.2
85.10165	6.0
93.07026	26.8
95.08581	17.5
101.06011	16.2
107.08577	16.5
109.10172	4.9
121.10133	9.6
127.07527	24.1
129.05495	17.0
135.11653	4.8
149.13164	5.8
163.14705	4.1
172.74814	4.3
177.16414	4.5
236.36092	4.2
248.65616	3.7
447.15942	4.2
479.34778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
51.66543	0.2
53.03934	0.3
54.82816	0.3
55.01883	0.2
55.05503	0.5
57.03424	0.3
60.60334	0.3
61.57017	0.2
63.48729	0.3
67.05492	0.5
69.03424	0.6
69.07055	0.5
79.05484	0.5
81.03411	1.1
81.07026	0.5
85.02898	1.6
91.05454	0.3
92.19759	0.3
93.07016	0.3
95.08578	0.4
97.02898	0.3
97.06534	0.3
97.59482	0.3
107.08580	0.3
109.10118	0.4
111.57291	0.3
114.39309	0.3
119.04872	0.3
123.93417	0.3
127.03934	0.3
133.10155	0.3
145.04951	0.4
149.02330	1.5
149.13293	0.4
165.09093	0.6
171.00522	0.5
182.92471	0.3
185.04320	0.3
189.01596	0.3
195.13837	0.3
203.05295	1.2
243.06291	1.0
245.07735	2.0
250.97459	0.3
257.09930	0.4
261.07220	3.2
275.10974	7.5
299.12540	3.9
306.58676	0.3
317.13593	4.4
328.20517	0.3
391.99130	0.3
423.12491	1.9
479.18811	100.0
480.19064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57572	0.3
55.05495	0.5
57.03427	1.4
57.07073	3.1
67.05493	1.4
69.07050	1.4
71.08606	1.7
78.46139	0.3
81.07040	2.5
83.08601	1.1
85.10176	0.6
95.08600	1.7
97.10122	0.4
109.06528	0.4
109.10139	1.2
120.02749	0.3
136.86121	0.3
148.96393	0.3
164.26956	0.3
167.06747	3.8
195.09904	1.5
223.09483	0.4
285.24075	0.4
313.27368	1.2
374.89178	0.3
479.33508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66543	0.2
53.03934	0.3
54.82816	0.3
55.01883	0.2
55.05503	0.5
57.03424	0.3
60.60334	0.3
61.57017	0.2
63.48729	0.3
67.05492	0.5
69.03424	0.6
69.07055	0.5
79.05484	0.5
81.03411	1.1
81.07026	0.5
85.02898	1.6
91.05454	0.3
92.19759	0.3
93.07016	0.3
95.08578	0.4
97.02898	0.3
97.06534	0.3
97.59482	0.3
107.08580	0.3
109.10118	0.4
111.57291	0.3
114.39309	0.3
119.04872	0.3
123.93417	0.3
127.03934	0.3
133.10155	0.3
145.04951	0.4
149.02330	1.5
149.13293	0.4
165.09093	0.6
171.00522	0.5
182.92471	0.3
185.04320	0.3
189.01596	0.3
195.13837	0.3
203.05295	1.2
243.06291	1.0
245.07735	2.0
250.97459	0.3
257.09930	0.4
261.07220	3.2
275.10974	7.5
299.12540	3.9
306.58676	0.3
317.13593	4.4
328.20517	0.3
391.99130	0.3
423.12491	1.9
479.18811	100.0
480.19064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03929	0.3
55.01857	0.2
55.05494	0.1
57.03424	0.3
61.02924	0.6
65.03918	0.1
65.11259	0.1
65.77675	0.1
67.05492	0.6
69.03416	1.7
69.07047	0.2
71.04959	0.1
73.02899	0.1
74.89626	0.1
79.05470	0.6
81.03406	0.8
81.07046	1.0
83.08592	0.4
85.02897	3.5
87.00787	0.1
87.04446	0.1
91.05468	0.6
93.07015	0.5
94.04173	1.2
95.08588	1.5
97.02876	1.3
97.06467	0.2
99.04438	0.1
105.07024	0.3
107.04935	0.2
107.08582	0.6
108.96230	0.1
109.02857	0.4
109.06476	0.1
109.10137	0.1
113.09641	0.5
119.07613	0.1
119.08582	0.5
120.08896	0.1
121.10114	0.3
122.03630	4.8
123.11697	1.1
127.03902	0.5
133.10109	0.7
134.10425	0.3
135.04350	0.1
135.11658	0.3
136.12010	0.1
137.05962	100.0
138.06325	0.2
143.08546	0.1
145.04994	0.1
145.10175	0.1
147.11681	0.1
157.10085	0.1
163.03876	0.4
167.03394	0.5
173.09665	0.2
175.14775	0.5
176.15105	0.2
195.11546	0.1
213.12694	0.1
230.25241	0.1
231.13655	0.1
234.05736	0.1
299.09073	0.2
317.10153	16.0
359.22083	0.2
394.82181	0.1
416.89017	0.1
443.31384	0.5
461.32144	0.1
479.18860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81661	0.9
55.05495	1.0
61.21049	1.1
64.33376	1.2
69.03419	4.4
69.07077	1.2
70.06585	1.3
79.05458	1.6
81.03396	6.7
81.07040	1.7
85.02907	5.5
87.00837	1.4
89.03895	7.0
90.63160	0.9
93.07007	1.2
95.08566	2.0
97.02866	2.1
100.44329	1.1
105.01827	1.8
105.07052	1.1
107.04965	1.6
107.08623	2.6
109.02869	1.9
111.04459	1.3
117.03369	11.6
121.10115	5.2
127.03861	2.1
135.04401	21.5
135.11711	1.2
137.02321	59.8
137.03383	3.5
145.02818	14.8
147.04395	2.0
148.04730	1.0
148.46558	1.0
163.02487	2.2
163.03871	69.3
171.43228	1.0
177.16406	4.6
195.17517	1.7
280.29886	1.3
384.58853	1.2
394.54871	1.1
447.12549	100.0
479.15170	75.0
479.22174	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	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60026	0.1
53.03931	0.7
55.01849	0.2
55.05483	0.2
56.23506	0.1
63.02358	0.3
65.03936	0.2
69.03400	0.8
69.07066	0.3
72.08125	0.3
76.73416	0.2
79.05479	1.6
81.03395	3.5
81.07028	0.4
85.02866	1.0
87.00794	0.4
89.03899	10.4
91.05415	0.3
93.07011	0.3
95.04939	0.9
95.08580	0.4
97.02861	1.2
99.04390	0.2
107.04931	3.7
107.08542	0.3
109.02843	2.2
111.04413	1.1
117.03355	13.9
119.04945	0.2
119.08533	0.2
120.08074	0.4
127.03874	2.1
135.04388	32.0
135.74110	0.2
137.02324	57.1
137.03392	4.7
145.02829	19.9
147.04408	0.3
155.03403	1.2
163.03870	100.0
164.04175	0.8
169.62424	0.2
177.16389	0.3
184.81551	0.2
193.84705	0.2
213.14682	0.2
263.05698	0.2
281.06458	0.8
303.65094	0.2
307.08212	0.3
317.06244	0.6
322.29578	0.2
447.12469	3.8
461.10464	1.1
478.33383	4.2
479.15125	10.6
479.33240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
51.95852	0.2
53.03955	0.5
63.02378	0.3
68.51573	0.3
69.03441	0.5
79.05479	2.3
81.03397	3.3
85.02886	0.4
89.03903	11.6
95.04924	0.4
97.02904	1.4
107.04935	3.7
109.02875	1.8
111.04464	0.7
117.03365	15.9
127.03912	2.9
131.08473	0.4
135.04401	32.2
137.02333	56.8
137.03404	5.4
138.02707	0.3
145.02837	19.9
147.20576	0.3
155.03407	1.0
159.02759	0.3
163.03879	100.0
187.12581	0.3
281.06439	0.3
309.98126	0.3
447.12402	2.9
449.30936	0.3
461.10471	0.5
478.32687	0.4
479.15213	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	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03934	1.1
55.01860	1.1
55.05488	1.1
57.03426	2.0
57.07063	0.5
61.02919	2.4
65.03944	0.2
67.05495	1.0
68.99760	0.4
69.03073	0.3
69.03419	6.0
69.07058	1.8
71.04951	0.3
73.02909	0.6
79.05460	0.5
81.03404	3.4
81.07056	1.8
83.01296	0.3
83.08604	1.0
85.02892	14.4
87.04457	0.3
89.03897	0.4
91.03952	0.3
91.05449	0.4
92.02598	1.4
93.03395	1.9
93.07002	2.2
95.04953	1.5
95.08583	5.4
96.08919	0.6
97.02872	5.5
97.10132	0.3
99.04431	1.2
99.57247	0.3
105.01849	0.4
105.06995	1.1
106.07321	0.4
107.08584	4.1
108.08932	0.5
109.02860	2.1
109.10131	1.6
111.08038	0.6
113.09580	0.3
117.03372	0.5
117.07097	0.3
119.08566	1.1
121.02828	1.4
121.06477	0.5
121.10120	5.3
122.10452	1.0
123.11650	0.5
125.84426	0.2
126.03114	0.5
127.03854	2.7
131.08504	0.6
132.10126	0.2
133.02792	0.3
133.10109	1.0
134.10471	0.3
135.04413	1.4
135.11711	1.8
137.02325	4.5
137.05971	0.3
137.10669	0.3
137.13234	1.6
139.03879	1.7
139.11102	0.3
145.02831	1.2
145.04945	1.6
145.10092	1.1
146.10411	0.3
147.04417	0.3
147.11728	0.4
149.13248	0.4
151.03857	1.1
151.07430	0.2
153.01810	11.2
158.10414	0.3
159.11662	0.3
161.06020	0.3
163.03870	5.2
165.01833	0.6
173.09645	0.4
175.14607	0.3
177.05362	0.3
177.16354	2.9
178.16666	1.1
180.14616	0.3
187.11192	0.3
191.39006	0.2
195.17503	0.5
201.05550	0.5
213.12666	0.4
217.05032	0.9
218.05748	0.5
220.14276	0.2
228.04190	2.4
229.04880	4.5
231.13783	0.4
236.14807	0.3
245.04404	2.2
246.05069	2.8
257.04456	3.9
260.03073	0.6
273.03922	3.1
274.04684	6.4
284.03262	0.4
284.17090	0.4
285.03885	6.3
301.17828	0.5
302.04166	17.6
302.18225	0.6
317.06506	100.0
318.06888	0.5
330.21713	0.3
400.23511	0.3
442.30237	0.5
460.31424	2.2
461.31485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.00318	0.4
53.03941	0.5
53.23636	0.4
55.01857	0.6
55.05506	21.0
57.03430	13.7
57.07068	2.8
62.06107	0.3
64.32975	0.4
65.03936	0.7
67.05495	38.6
69.07056	24.7
69.07449	0.6
70.51178	0.3
71.04964	0.6
71.08607	0.7
79.05477	11.4
81.07041	38.7
83.04970	0.6
83.08604	11.2
83.09988	0.3
85.06523	0.7
91.05460	6.8
93.07028	10.8
93.63074	0.4
95.04964	0.5
95.08588	28.8
97.06520	2.6
97.10149	4.5
105.07015	5.5
107.08567	5.4
109.06457	0.4
109.10149	11.0
111.08048	0.7
111.11739	0.6
113.53953	0.4
119.08557	4.2
121.10123	5.2
123.08051	0.5
123.11690	3.9
124.01575	0.4
125.09584	0.7
133.10104	4.8
135.11674	2.3
137.13237	0.8
147.11653	2.0
149.13246	0.8
161.13272	1.8
175.14888	1.4
258.88583	0.4
259.50354	0.5
263.23633	0.6
291.55972	0.4
306.27725	2.7
337.27313	100.0
338.27335	0.5
445.21234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.81715	1.4
55.05507	21.3
57.03447	5.5
57.07074	2.4
62.06079	24.3
65.03947	1.6
67.05493	50.0
69.07059	21.0
70.47654	1.6
79.05495	16.8
81.07043	41.7
83.08612	9.6
91.05479	6.8
93.07035	16.2
95.08588	37.1
97.06525	2.5
97.10152	2.0
98.98479	14.9
105.07052	5.9
107.08591	8.5
109.10160	11.8
114.42545	2.1
118.05948	1.8
119.08551	3.4
121.10131	8.3
123.11670	2.6
124.01561	2.3
133.10135	2.5
135.11687	2.9
137.13234	2.4
147.11711	2.9
149.02351	4.3
149.13199	2.0
155.01062	3.4
159.86679	1.7
161.13237	1.8
163.14938	1.6
189.80788	1.9
216.06387	2.6
263.23624	7.1
297.92352	1.7
306.27789	15.5
337.27319	100.0
460.28131	8.9
478.29214	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	478.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15546	0.2
53.00314	0.4
53.03937	1.7
55.01866	4.1
55.05501	7.0
55.05753	0.4
55.56841	0.2
57.03431	2.8
57.07072	1.6
58.66469	0.2
59.04977	0.2
61.02915	2.9
67.05495	3.0
68.99778	1.2
69.03413	15.7
69.07050	15.6
71.04970	3.8
71.08598	0.3
71.15750	0.2
73.02895	3.0
79.05465	5.3
81.02921	0.4
81.03400	11.1
81.07036	14.8
83.01331	0.4
83.04971	0.4
83.08604	8.9
85.02888	36.2
85.06520	2.3
87.00809	18.0
87.04440	0.3
91.03952	0.7
91.05452	3.0
93.07021	17.0
95.04945	0.9
95.08582	34.8
97.02871	12.7
97.06477	0.3
97.10146	5.9
99.04430	5.4
99.08070	8.9
105.01848	16.4
105.07015	4.8
107.04936	0.3
107.08575	45.6
108.04489	0.3
109.02863	10.8
109.06504	0.8
109.10139	10.9
111.08058	5.3
111.11694	0.4
112.96387	0.2
113.09617	1.6
115.03921	0.7
115.11151	0.3
117.01842	1.5
117.03364	0.4
119.08560	3.0
121.10120	69.8
122.10896	0.2
123.04327	0.2
123.08052	1.0
123.11666	3.6
125.09597	3.8
125.13252	0.3
127.03890	18.4
129.01782	1.6
131.08548	0.4
133.07559	0.2
133.10097	2.6
135.04398	1.1
135.11667	17.7
136.11963	0.2
137.02333	3.4
137.05954	0.4
137.09679	0.2
137.13223	7.5
137.14201	0.3
139.11162	1.2
143.08514	0.3
145.02917	0.2
145.04942	5.7
145.10158	0.8
147.02849	0.4
147.07861	0.2
147.11638	0.7
149.13234	5.4
152.06995	0.3
157.10103	0.3
159.02852	5.1
159.11676	0.4
161.13222	0.3
163.03845	5.0
164.04152	0.2
171.02861	0.2
173.13190	0.4
175.14832	1.5
177.16347	100.0
178.16656	0.4
187.14789	0.8
189.03896	0.5
191.10683	0.2
195.17407	18.0
199.14804	0.3
211.11226	0.2
213.03899	0.8
213.16603	0.5
213.18456	15.1
217.15869	0.2
219.17386	0.4
231.04970	5.0
231.17181	0.2
249.05969	2.4
250.29980	0.2
267.17227	0.4
270.05048	0.2
285.18399	1.0
291.24191	0.2
303.19400	0.8
363.21530	0.3
366.58475	0.2
389.19440	0.8
407.20428	1.6
425.21515	1.2
443.22708	0.3
465.88776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
53.78415	0.3
55.01865	4.5
55.05501	8.7
57.03426	2.4
57.07061	2.2
59.04984	0.4
61.02912	3.0
61.31387	0.3
64.94791	0.3
67.05482	3.6
68.99780	1.5
69.03413	17.1
69.07054	16.7
71.04980	4.3
71.08624	0.4
73.02895	2.6
79.05470	7.2
81.03403	11.6
81.07039	15.3
83.08601	10.5
85.02889	40.2
85.06537	2.0
87.00812	20.4
91.03944	0.7
91.05447	2.4
93.07022	17.6
95.04954	0.4
95.08585	37.7
97.02876	13.8
97.06406	0.4
97.10152	6.1
99.04434	6.1
99.08071	9.4
105.01852	15.7
105.06996	4.6
107.08578	46.5
109.02867	10.5
109.06508	0.9
109.10139	11.9
111.08060	4.7
113.09631	1.5
115.03889	0.5
117.01806	2.0
118.32032	0.4
119.08538	2.2
121.10120	75.2
123.08040	0.6
123.11713	3.5
125.09623	5.2
127.03891	18.0
128.49141	0.4
129.01805	1.6
131.08517	0.6
133.10085	2.5
135.11668	18.7
137.02307	1.9
137.13231	7.9
139.11151	0.9
145.02866	0.4
145.04926	6.3
145.10129	0.4
147.02739	0.4
149.13240	6.0
157.10072	0.4
159.02870	4.2
163.03889	2.8
173.13263	0.5
175.14798	1.5
177.16350	100.0
178.16663	0.5
189.03897	0.4
195.15683	0.7
195.17410	18.5
213.16489	0.8
213.18440	13.4
219.17357	0.6
231.04965	4.8
249.05989	2.1
269.82156	0.5
285.18405	0.7
303.19418	0.6
316.23334	0.4
317.21365	0.4
389.19162	0.9
407.20319	1.9
425.21469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01855	1.0
55.05493	0.4
57.03424	0.6
59.04747	0.3
59.04996	4.1
63.49642	0.2
65.03929	0.3
68.99765	0.3
69.03414	5.1
71.01326	0.6
71.04971	1.2
73.02895	0.4
75.58566	0.2
77.40160	0.2
81.03403	8.2
83.04963	1.3
85.02885	5.3
87.04484	0.3
89.03902	0.3
93.03368	0.5
97.02869	7.5
99.04439	1.5
107.04948	0.3
109.02861	4.3
111.04427	10.4
113.02373	0.3
115.03902	0.4
115.47261	0.3
125.02334	0.5
127.03892	4.4
135.04384	1.7
137.02322	100.0
138.02650	0.5
143.03358	0.6
145.02882	1.1
145.04938	4.4
147.04399	1.1
148.59955	0.3
155.03377	4.4
163.03873	7.4
164.04213	3.0
165.04428	0.6
227.05923	0.3
239.05458	1.2
258.45984	0.2
263.05392	1.9
273.77682	0.2
281.06537	7.4
297.06015	1.2
299.07623	2.3
324.53860	0.3
325.09317	0.3
393.08221	0.3
395.39990	0.3
407.09610	1.4
411.09210	3.1
425.10632	0.5
443.11752	1.2
464.64841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01855	1.0
55.05493	0.4
57.03424	0.6
59.04747	0.3
59.04996	4.1
63.49642	0.2
65.03929	0.3
68.99765	0.3
69.03414	5.1
71.01326	0.6
71.04971	1.2
73.02895	0.4
75.58566	0.2
77.40160	0.2
81.03403	8.2
83.04963	1.3
85.02885	5.3
87.04484	0.3
89.03902	0.3
93.03368	0.5
97.02869	7.5
99.04439	1.5
107.04948	0.3
109.02861	4.3
111.04427	10.4
113.02373	0.3
115.03902	0.4
115.47261	0.3
125.02334	0.5
127.03892	4.4
135.04384	1.7
137.02322	100.0
138.02650	0.5
143.03358	0.6
145.02882	1.1
145.04938	4.4
147.04399	1.1
148.59955	0.3
155.03377	4.4
163.03873	7.4
164.04213	3.0
165.04428	0.6
227.05923	0.3
239.05458	1.2
258.45984	0.2
263.05392	1.9
273.77682	0.2
281.06537	7.4
297.06015	1.2
299.07623	2.3
324.53860	0.3
325.09317	0.3
393.08221	0.3
395.39990	0.3
407.09610	1.4
411.09210	3.1
425.10632	0.5
443.11752	1.2
464.64841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03418	0.4
61.02933	0.5
67.04240	4.0
68.72382	0.3
69.03419	2.2
73.01109	0.3
74.00643	1.9
81.03402	0.6
85.02888	4.4
86.00642	0.6
97.02874	2.7
99.04436	0.4
100.02187	100.0
102.05531	0.5
105.01840	0.5
106.26308	0.3
109.02880	1.4
112.71798	0.4
114.05526	1.3
119.04954	0.5
123.04397	0.5
127.02094	0.4
127.03912	2.1
130.04994	0.8
132.01184	0.5
137.05981	0.5
147.04379	2.4
148.04803	0.5
151.00227	0.5
157.04283	3.1
158.02695	3.5
163.03902	2.7
175.05363	2.9
203.04832	37.8
213.06920	6.9
260.64560	0.3
316.09552	8.8
375.12329	0.6
397.48849	0.4
478.14896	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48502	2.9
55.01867	20.1
55.05507	84.6
56.42395	3.0
57.03423	30.5
62.83838	3.2
67.05497	87.0
69.03416	7.6
69.07046	30.3
69.46455	3.4
79.05053	5.3
79.05474	89.7
81.03400	100.0
81.07039	69.6
83.04977	30.2
83.08612	40.5
85.02894	6.5
85.06541	4.3
91.05458	83.7
92.09363	6.5
93.07022	63.3
95.04950	54.3
95.08590	37.2
97.02881	4.0
97.06503	8.6
97.10151	54.0
105.07018	48.9
107.04946	35.0
107.08578	48.5
109.06521	19.1
109.10156	23.2
111.08093	6.1
117.06998	26.8
119.04843	3.8
119.08574	41.3
121.06467	30.8
121.10127	24.4
123.08054	8.3
125.09606	31.0
127.03937	5.1
128.06239	4.2
129.07024	32.5
131.08554	41.3
133.06480	8.3
133.10117	17.9
135.08069	17.2
135.11694	16.2
136.47298	4.6
141.06952	5.3
143.08565	18.1
145.06435	29.0
145.10117	25.7
147.07999	6.8
147.11688	15.5
149.02342	5.2
149.09618	6.2
149.13293	3.9
151.07527	8.4
155.08511	13.6
157.10101	14.6
159.07990	6.5
161.09657	5.6
163.11180	15.1
165.09164	7.9
169.10071	5.0
171.08032	4.8
171.11729	3.8
173.09473	4.3
175.11201	15.0
183.11765	5.2
189.11230	7.1
193.04956	5.1
193.12184	17.2
195.11674	6.1
197.13359	4.3
199.11128	4.0
213.12700	4.9
227.12675	16.2
233.15338	7.6
261.92340	4.3
267.15814	57.0
273.14835	6.8
341.21170	21.0
349.21622	8.4
367.22562	16.4
385.23611	36.5
403.24472	18.9
415.24689	6.2
433.25772	41.6
459.27386	85.8
477.28473	87.2
488.80963	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	477.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46012	1.6
50.60259	1.3
53.03929	4.0
54.72985	1.5
55.01857	2.6
55.05498	13.5
57.03417	3.6
57.07062	7.0
57.63145	1.6
61.02906	8.0
63.00395	2.0
67.05496	15.4
69.03417	38.4
69.07059	13.4
71.04978	10.4
76.24184	1.8
79.05485	7.4
81.03404	18.3
81.07042	62.9
83.04978	3.4
83.08598	8.2
85.02894	64.3
85.06526	24.6
87.00813	33.2
87.04459	3.0
89.06013	40.9
90.06355	2.2
91.05459	16.1
93.07022	59.0
95.04974	2.7
95.08587	65.6
95.09200	2.4
97.02884	20.3
97.06483	7.0
99.04422	9.5
99.08080	18.9
105.01865	25.6
105.07015	36.7
106.29453	1.7
107.08572	78.4
108.75143	2.0
109.02853	17.8
109.06495	3.8
109.10149	31.5
110.65330	1.5
111.08062	3.6
119.08566	72.9
121.10135	21.3
123.11696	14.1
125.09606	14.2
127.03883	25.1
133.08629	15.1
133.10103	56.7
135.11671	72.6
137.09579	7.5
140.76129	2.2
143.08620	2.1
145.04948	2.8
145.10185	2.1
147.11690	8.4
149.13214	4.1
150.36372	1.9
151.11168	9.7
155.10658	11.2
159.02753	5.7
163.03926	2.2
163.14778	78.5
163.16042	3.5
164.04274	2.4
175.14809	55.2
177.11162	3.3
181.15828	11.4
193.15863	37.0
211.14885	3.3
211.16904	100.0
229.17999	11.6
231.04973	3.1
282.11526	1.7
303.70709	1.7
311.47092	2.1
370.08273	2.1
442.28711	1.9
459.27921	3.2
460.27853	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	477.1392
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.54155	0.1
53.03938	0.7
55.01859	0.8
55.05504	0.3
57.03425	1.4
59.04999	0.1
61.02913	1.8
61.70316	0.1
63.94125	0.1
67.01852	0.1
67.05478	0.5
69.03413	4.8
69.07050	0.4
71.04961	0.5
73.02907	0.8
79.05467	0.2
81.03397	2.5
81.07034	0.6
83.01294	0.2
83.04962	0.1
85.02887	9.7
85.06511	0.1
87.04432	0.5
91.03933	0.2
91.05458	0.5
93.06995	0.7
95.01261	0.1
95.04941	2.2
95.08567	0.9
97.02867	3.9
97.06507	0.2
97.10128	0.1
99.04446	0.8
105.06989	0.7
107.04906	0.1
107.08562	0.4
108.02052	0.2
109.02872	1.5
109.06539	0.2
109.10146	0.6
111.04420	0.2
111.08126	0.2
119.04896	0.2
119.08558	1.0
121.02845	0.1
121.06489	0.2
121.10130	0.5
123.04386	0.1
123.08052	0.2
123.11659	0.2
125.02302	0.1
127.03887	1.6
129.03325	0.6
131.08612	0.1
133.10103	1.0
134.03612	3.5
134.10480	0.2
135.04378	0.5
135.11691	0.5
137.02306	0.9
137.05949	0.7
137.09601	0.5
138.03093	2.3
145.04958	0.8
145.06511	0.1
145.10100	0.2
147.11688	0.4
149.02464	0.1
149.05940	0.4
149.13179	0.1
151.03908	0.1
155.03345	0.4
161.02313	0.5
161.05936	0.1
163.03857	2.9
166.02606	1.3
167.03362	15.8
168.05696	0.2
169.06522	0.2
171.07961	0.2
171.09261	0.1
175.03867	1.2
175.14720	0.7
176.15120	0.2
177.05432	0.2
184.03656	3.8
184.05228	0.4
185.05956	0.2
189.05379	0.4
193.04907	0.6
193.12244	0.1
193.15852	0.2
193.91164	0.1
195.04376	0.1
196.05185	0.1
197.06017	0.2
198.06819	0.1
199.07524	0.5
201.05359	0.2
203.03387	0.1
211.07455	0.2
211.16925	1.1
212.04597	0.5
212.17192	0.5
213.05420	1.0
215.07037	0.4
216.07800	0.2
217.04933	0.4
226.06342	0.2
227.06981	3.0
229.04893	0.6
240.04099	1.7
241.04881	0.7
242.05807	0.2
243.06467	2.3
244.07254	1.2
254.05666	0.9
255.06456	9.7
257.04388	1.5
259.09595	3.6
268.03641	1.2
269.04364	2.6
269.07822	0.3
270.05045	0.8
271.05945	4.3
272.06732	2.2
282.05063	0.2
283.05939	7.0
284.06433	0.1
285.03879	0.9
287.05499	0.6
287.09125	0.7
297.03882	1.1
297.07446	0.4
299.01929	0.2
299.05423	10.0
300.06223	18.3
315.08560	100.0
316.08838	0.6
319.22629	0.1
327.27591	0.1
355.90561	0.1
477.12994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49831	10.3
55.05505	16.9
61.11867	8.0
61.77792	8.3
67.05507	10.1
69.07036	15.9
75.50488	9.4
79.05461	15.7
81.07026	18.9
83.08586	13.3
93.07018	16.4
95.08578	58.9
100.70058	11.5
107.08566	21.9
109.10149	58.8
112.88309	10.5
119.08591	12.6
121.10117	45.1
131.08592	13.4
133.10124	12.8
135.11665	16.4
137.13176	9.3
140.79297	9.7
145.10144	11.3
147.11703	23.6
147.34412	11.3
149.13225	23.3
168.74763	10.0
191.17923	52.7
192.48244	9.5
203.50337	10.5
208.11438	11.0
327.95218	11.2
399.19061	10.4
441.37299	100.0
459.38019	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59872	6.2
57.07054	6.2
63.69285	6.5
67.05490	18.2
69.07053	29.6
79.05466	13.0
81.07020	62.2
83.08598	7.9
90.19235	7.3
91.05461	13.9
93.07017	46.9
95.08588	85.2
105.07008	51.1
107.08547	51.5
109.10139	54.9
119.08538	33.3
121.10140	51.1
123.11668	35.8
131.08553	33.8
133.10106	100.0
135.11641	51.1
137.13252	9.9
145.10121	17.9
147.11655	29.7
149.09709	6.6
149.13275	35.8
157.10071	7.9
159.11696	35.6
161.13199	30.9
163.14761	18.0
163.70358	7.0
173.13150	8.5
174.82501	7.6
177.16386	7.9
191.14270	65.8
191.17882	16.5
197.62373	7.9
203.68243	6.9
210.38664	7.8
210.40886	7.9
219.72377	9.0
231.17455	8.8
231.21049	16.4
423.36234	87.7
441.37289	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1389
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03928	0.9
53.39393	0.1
55.01860	0.7
55.05500	0.3
57.03432	1.4
61.02914	2.1
67.05475	0.6
68.02923	0.1
69.03068	0.3
69.03417	5.4
69.07060	0.2
70.79466	0.2
71.04977	0.4
73.02887	0.6
74.82366	0.2
79.05469	0.3
81.03399	3.0
81.07041	0.9
85.02889	9.9
87.04441	0.8
91.03947	0.4
91.05424	0.2
93.07030	0.7
93.65503	0.2
95.01295	0.3
95.04950	2.4
95.08580	1.0
97.02867	4.1
97.06506	0.3
99.04428	0.7
105.07030	0.3
107.08577	0.3
109.02862	1.5
109.10118	0.4
111.08078	0.2
115.05475	0.2
117.17120	0.2
117.17968	0.2
119.07796	0.2
119.08515	1.2
121.06479	0.4
121.10130	0.3
127.03896	1.5
128.84785	0.1
129.03346	0.2
133.10097	0.8
134.03589	3.4
135.04388	0.7
135.11714	0.4
137.02335	1.1
137.05933	0.7
137.09598	0.3
138.03098	2.2
145.04945	0.6
145.10023	0.2
151.03964	0.2
155.03380	0.4
161.02313	0.3
163.03876	2.9
166.02586	1.9
167.03372	16.4
169.06496	0.2
175.03897	1.0
175.14767	0.6
181.04961	0.2
184.03664	3.3
184.05153	0.3
185.06003	0.2
186.76155	0.2
193.04996	0.8
197.05991	0.4
199.07553	0.9
211.16911	1.4
212.04668	0.4
212.17310	0.4
213.05489	1.3
215.07140	0.4
216.07777	0.2
226.06264	0.3
227.06952	2.9
229.04939	0.4
240.04144	1.8
241.04945	0.3
241.08757	0.2
242.05603	0.2
243.06529	2.8
244.07178	0.8
253.04955	0.2
254.05609	0.8
255.06456	10.1
257.04391	1.9
259.09616	3.7
268.03537	1.1
269.04453	2.7
269.07535	0.2
270.05219	0.4
271.05954	4.8
272.06705	2.2
282.05380	0.3
283.05954	7.6
285.03906	0.8
287.05554	0.4
287.09100	0.9
297.03970	1.0
297.07346	0.2
299.05444	10.4
300.06238	17.9
315.08572	100.0
316.08887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47004	1.7
55.01855	1.9
55.05517	3.6
55.75308	1.9
57.07077	3.8
67.05482	4.4
69.07063	21.4
73.45927	2.1
79.05476	8.9
81.07040	25.4
81.07459	2.5
83.08617	8.9
85.06551	2.4
93.07020	17.9
95.08591	47.4
97.06532	2.6
97.10158	4.5
105.07029	13.9
107.08597	27.2
109.06525	8.9
109.10154	25.4
119.08569	12.8
121.10110	37.3
123.11671	16.2
129.35176	2.5
130.82880	2.3
131.08533	3.0
133.10124	10.4
135.11652	27.9
137.09581	2.9
137.13271	13.0
139.07553	2.4
139.11139	2.8
145.05157	2.3
145.10104	3.5
147.11705	15.3
149.09517	2.7
149.13248	24.8
157.10092	2.6
159.11694	3.5
161.13205	5.3
163.14819	9.3
165.12680	4.4
173.13286	3.2
175.14801	4.9
189.16371	5.7
191.17928	100.0
193.15895	3.4
213.16461	4.0
217.19379	8.1
217.29941	2.3
227.17810	2.3
249.18509	3.8
283.24207	12.4
385.99573	2.5
423.36136	13.1
441.37195	70.8
459.38559	19.0
476.31598	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	32.2
56.96557	11.3
57.03419	9.6
62.06081	39.5
62.95717	4.6
67.05500	58.0
69.07072	13.5
70.25883	6.0
70.26254	5.2
71.04951	5.6
77.98032	5.2
79.05472	56.1
81.07031	59.2
82.00574	5.7
83.08617	5.2
91.05461	22.8
93.07014	47.9
95.08595	31.3
98.98452	11.7
105.07013	11.3
106.12654	5.8
107.08577	27.9
108.11013	5.6
109.10146	12.8
117.06985	9.1
119.08553	8.3
121.10112	6.2
130.48180	5.5
131.08549	8.7
133.10075	8.2
215.56879	6.3
223.13365	6.2
270.53098	6.4
304.26340	9.4
335.25784	100.0
349.16980	10.6
458.26694	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	476.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48684	1.0
55.05513	8.7
57.07063	4.9
63.80504	1.6
67.05500	9.9
69.06702	1.8
69.07053	22.2
71.04977	11.1
79.05463	8.4
81.07039	36.8
83.08607	7.9
84.52936	1.4
89.20731	1.2
91.05460	1.4
93.07031	19.3
95.04923	1.2
95.08588	61.5
97.06515	2.2
97.10144	2.7
99.08096	12.2
105.07006	12.7
107.08577	25.8
109.06528	2.2
109.10149	27.7
111.08048	1.7
119.08572	17.0
121.10117	28.9
123.08038	4.5
123.11700	19.3
125.09611	1.6
127.07551	10.9
127.11170	2.2
131.08499	2.1
133.10091	11.5
135.08101	1.7
135.11668	15.7
137.09604	2.0
137.13251	15.5
143.08565	2.6
145.10109	10.0
147.11697	11.8
149.09593	2.8
149.13243	15.7
151.11197	2.4
153.12712	2.2
155.10609	2.7
157.10112	5.6
159.11685	7.5
161.13203	5.5
163.11185	2.5
163.14793	17.8
171.11656	2.0
173.13188	7.5
175.14796	6.4
177.16348	4.8
181.12318	1.4
185.13181	2.1
187.14812	6.3
189.16362	2.9
191.14265	1.8
191.17935	24.8
199.14870	2.3
201.16292	3.0
203.17923	2.9
205.19463	1.7
211.14743	1.3
213.16307	2.1
217.19466	5.2
219.17464	1.6
231.17316	1.8
249.18248	2.5
284.86877	1.3
331.30011	1.7
337.28894	1.4
338.74210	1.4
423.36362	8.9
441.37207	100.0
459.38113	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.6
53.03931	1.0
55.01882	0.7
55.05508	15.1
57.03169	1.2
57.03431	17.9
57.07070	1.1
65.03931	0.9
65.80254	0.6
67.05495	56.6
69.07057	17.9
71.04980	1.2
71.81646	0.6
76.71645	0.5
79.05479	31.5
81.07041	42.2
83.04947	1.2
83.08615	4.9
85.06520	0.8
91.05457	12.7
92.09287	1.0
93.07027	31.9
95.04961	3.5
95.08588	34.0
97.06504	2.3
97.10149	0.8
98.98489	0.7
105.07016	9.6
105.08081	0.6
107.08585	13.1
109.06554	0.8
109.10143	11.5
117.07018	3.4
119.08559	6.6
121.10133	8.0
123.08047	1.2
123.11700	3.6
131.08557	5.1
133.10129	3.4
135.11670	4.6
145.10147	2.5
147.11635	1.2
149.13260	1.6
159.11632	0.9
161.13251	1.0
173.13216	1.0
261.22192	0.7
298.59601	0.6
304.26373	2.3
314.67621	0.7
335.25745	100.0
355.35886	0.7
483.71530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
54.35507	0.4
55.01858	2.7
55.05497	2.0
57.03422	1.2
61.02910	1.8
61.65363	0.4
63.53373	0.4
67.05493	1.1
69.03415	7.9
69.07044	3.1
71.04986	3.9
73.02894	1.2
79.05451	0.9
80.51911	0.4
81.03388	6.9
81.07035	7.0
83.08601	0.8
85.02887	15.9
87.00815	9.5
91.05444	3.3
93.07017	6.1
95.04913	0.6
95.08577	11.2
97.02868	8.3
98.79861	0.5
99.04425	3.3
99.08058	2.1
105.01825	3.7
105.07012	9.9
107.08589	12.0
109.02870	6.6
109.10131	1.0
110.47253	0.5
113.09649	0.9
115.12144	0.4
119.08556	43.9
121.10101	1.8
123.11669	4.0
127.03880	7.4
131.08572	2.4
133.10103	100.0
135.11668	18.9
137.90611	0.5
145.04941	3.2
145.10069	0.7
147.02917	0.5
147.11665	2.9
153.98462	0.5
159.02882	2.9
162.84747	0.5
173.13321	0.6
175.14786	62.2
189.06841	0.5
191.83113	0.5
193.15855	15.0
200.08846	0.5
211.16888	10.9
315.08533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	0.4
53.03953	3.7
54.81355	0.4
55.01860	2.8
55.05507	6.7
57.03424	2.6
57.07073	0.7
61.02911	2.9
67.05490	2.8
68.99779	0.6
69.03416	13.3
69.03761	0.9
69.07052	12.2
71.04971	4.9
73.02898	3.7
78.60708	0.5
79.05471	3.3
81.03406	12.7
81.07043	11.7
82.84234	0.5
83.08598	2.3
85.02890	28.0
87.00809	14.9
90.17259	0.5
91.03960	0.9
91.05470	8.8
92.08617	1.0
93.07029	8.4
95.04952	2.3
95.08584	14.4
97.02875	16.5
97.06518	0.6
99.04448	6.4
99.08109	1.8
103.05408	0.5
105.01846	9.7
105.07013	22.1
107.08583	19.3
109.02866	12.6
109.06536	0.9
109.10155	5.3
113.09606	1.1
117.01878	1.1
117.06998	3.8
119.08560	85.4
121.10109	5.3
123.08056	2.2
123.11673	5.5
124.57407	0.5
127.03903	17.1
131.08554	3.0
133.10109	100.0
135.11679	19.3
136.47153	0.6
137.09589	0.7
143.08560	0.6
145.04950	5.0
145.10138	2.6
147.02788	0.7
147.11656	7.6
157.10124	0.9
159.02881	5.9
160.12433	1.1
161.09634	0.7
171.11647	0.6
173.13232	3.3
175.14790	87.9
176.15068	0.8
191.14311	0.9
193.15857	20.0
193.17517	1.0
199.14908	0.6
211.16920	2.5
225.12553	0.6
231.04871	3.6
235.16862	1.0
249.06024	1.2
269.04440	1.9
297.04016	0.9
350.24478	0.6
423.20331	0.7
441.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	4.8
57.03460	0.6
57.07071	3.3
57.59740	0.7
64.80243	0.7
67.05499	8.3
69.07051	8.1
72.02084	0.7
73.54223	0.7
77.71265	0.8
79.05491	1.3
81.03397	0.9
81.07043	7.7
83.08596	0.8
85.06551	0.9
91.04964	0.8
91.05437	7.3
92.08665	0.9
93.07009	6.3
95.04939	0.9
95.07661	1.0
95.08593	27.1
102.93412	0.8
105.06374	0.9
105.07024	16.6
107.08575	9.6
109.06575	0.9
109.10150	31.6
117.06996	1.4
119.08567	61.6
121.10163	3.4
123.08054	1.7
131.08583	1.2
133.10114	75.9
135.11674	11.0
137.09605	9.5
145.10132	5.2
147.04320	0.9
147.11671	18.0
149.02299	9.8
149.13263	5.1
151.14812	4.3
160.12465	3.4
165.04486	0.8
173.13226	1.1
175.14793	100.0
193.15865	28.0
279.12228	1.6
286.06555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42123	0.1
53.03931	0.2
55.01856	0.1
57.03416	0.6
69.03415	6.8
69.24426	0.1
79.05450	0.3
81.03399	1.6
85.02892	1.7
87.08014	0.1
89.03902	2.2
97.02863	3.7
99.04437	1.7
105.01823	0.2
107.04938	1.5
109.02866	0.3
117.03364	3.9
118.28014	0.2
119.04914	0.2
123.04411	0.3
127.03883	0.7
133.06439	0.2
135.04390	12.2
137.02327	0.6
137.97362	0.2
145.02829	11.9
147.04417	0.2
162.02988	0.2
162.53934	0.2
163.03876	100.0
164.04208	0.9
181.04941	1.0
240.74295	0.2
307.07971	0.3
325.09103	9.9
423.12561	0.8
502.05655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.4
60.57587	7.7
79.05489	7.5
87.32265	6.8
91.05466	17.6
93.06977	13.9
95.05000	7.5
95.08624	6.9
96.78357	6.9
107.04962	8.3
109.10164	9.0
111.56553	7.5
133.06535	6.7
137.05971	44.8
137.09593	8.2
139.03874	9.8
151.03935	10.9
151.07542	11.4
152.04639	37.8
161.05911	8.0
163.03893	13.4
165.09081	76.5
166.09442	10.5
167.07050	100.0
169.04913	80.6
191.06894	7.5
195.06511	47.7
197.08003	52.5
202.98630	7.8
246.08934	8.8
386.32819	8.9
421.49771	7.5
423.63898	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.6
55.01869	20.2
55.05511	9.0
57.03425	9.4
61.02908	10.5
61.61813	0.9
61.85956	1.1
65.03913	1.7
67.05491	10.0
68.37924	0.9
68.99780	6.0
69.03069	1.8
69.03419	40.8
69.07059	6.8
71.04976	16.0
71.22878	1.0
73.02906	14.7
79.05476	22.4
81.03402	53.1
81.07046	13.2
83.01310	1.2
83.04959	4.7
85.02890	100.0
85.06517	1.8
86.56857	1.1
87.00813	63.0
87.04458	4.6
89.71522	0.9
91.03943	4.1
91.05462	61.1
93.06476	1.9
93.07023	31.3
95.04958	8.2
95.08577	2.3
97.02873	72.8
99.04433	20.3
103.05470	1.6
105.01846	23.0
105.07014	64.7
107.04947	5.0
107.08585	7.3
108.04485	1.6
109.02192	1.7
109.02860	41.4
109.06489	8.3
115.03925	2.3
115.05434	4.2
117.01804	9.3
117.06997	9.2
119.08559	60.7
121.06487	1.4
121.10188	1.2
123.04453	1.5
123.11704	2.5
127.03901	49.6
128.06192	4.4
129.01817	6.3
129.06982	21.5
131.08539	26.5
131.69330	1.0
133.06456	4.4
133.10110	81.1
135.04395	1.4
135.08009	1.4
135.11723	1.3
137.05983	4.8
141.06964	6.0
142.07793	4.9
143.08551	10.8
145.04947	21.7
145.06432	2.2
145.10101	12.3
147.02905	1.9
147.08038	2.4
147.11667	21.2
151.11186	14.2
153.06992	1.2
155.07002	7.0
155.08549	5.8
157.06451	2.1
157.10114	12.9
159.02863	23.1
159.08046	1.7
159.11627	1.8
161.09583	4.1
165.07057	1.1
166.07733	1.5
167.08542	4.1
169.10110	4.9
171.07982	1.6
171.11659	4.3
173.09587	2.4
175.11147	30.3
175.14717	9.2
178.81215	1.0
181.10062	4.5
183.11719	1.4
185.09543	1.4
187.11176	4.9
191.10617	1.4
193.12190	43.9
195.11705	1.4
199.11185	5.5
200.98203	1.2
201.12622	1.4
203.10587	1.2
205.12227	4.3
211.11322	2.7
211.13248	23.0
213.03842	1.4
217.12222	6.7
218.09567	1.1
231.04973	7.0
235.13324	2.5
237.12682	1.8
241.12227	1.2
255.13705	1.6
259.13123	3.9
265.12244	4.6
283.13235	9.9
301.14362	6.7
319.15363	2.5
397.91641	1.5
405.15427	1.8
419.22421	1.1
423.16177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17678	0.3
53.03936	0.3
55.01854	0.7
55.05494	0.3
55.45851	0.2
57.03424	0.6
61.02903	0.4
69.03408	5.8
70.32393	0.3
71.04936	0.3
73.02905	0.5
79.05489	0.5
81.03406	3.0
81.07037	1.3
83.50745	0.3
85.02498	0.4
85.02896	6.1
87.00798	1.7
89.03902	0.4
91.05457	4.7
93.07018	0.5
95.04935	2.2
97.02872	7.4
99.04436	1.7
102.52099	0.3
103.83051	0.3
105.01842	0.7
105.06985	0.7
107.04947	0.4
107.08586	1.4
107.37096	0.3
108.08937	0.6
109.02878	2.4
109.06501	0.5
109.10128	0.6
115.03934	0.4
117.03332	0.7
119.04917	18.9
119.08526	0.7
123.61837	0.3
127.03850	2.4
129.06929	0.5
131.08536	0.6
133.10091	2.3
134.10429	0.6
135.04381	2.9
137.02359	1.1
145.02815	2.6
147.04388	100.0
147.08052	1.5
148.04741	0.5
151.11125	0.5
153.08969	0.5
159.02852	0.6
163.03867	20.7
164.04153	0.6
165.01860	0.4
165.05453	1.5
165.09134	0.7
173.13214	0.5
187.07535	0.4
189.26088	0.4
191.14413	0.5
192.14615	0.4
203.08134	1.7
204.06572	2.3
209.15314	0.8
210.15636	0.4
217.09711	0.5
245.09184	2.0
263.10190	3.7
278.54169	0.3
281.04828	0.4
299.05371	1.5
300.05859	0.8
307.12769	0.8
309.09665	5.1
325.09497	0.5
329.06436	2.3
353.06277	0.5
382.98340	0.7
383.98349	0.4
423.12836	0.4
426.60623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82196	0.5
55.01860	0.6
55.05499	3.3
56.05008	0.7
57.03425	6.5
57.07066	4.4
57.36213	0.6
58.06589	19.1
59.07373	8.2
60.08161	5.5
65.14014	0.6
67.05489	1.4
69.07059	2.5
71.08606	1.3
75.04454	1.4
79.05492	1.0
81.07040	3.5
81.62125	0.7
83.08611	1.4
85.02883	1.0
87.04446	3.2
91.05459	9.7
93.07018	1.3
95.08573	3.4
97.10109	0.7
98.61970	0.6
107.08556	1.4
109.10136	0.9
119.04919	26.2
121.06435	0.8
121.10130	1.3
131.07018	1.1
135.11667	0.6
144.10175	4.5
147.04393	100.0
149.13203	0.7
162.11256	1.4
163.11493	0.7
165.05417	2.7
236.14879	51.7
237.15222	14.0
270.91901	0.7
278.60843	0.6
323.57614	0.7
456.36624	4.2
457.37347	5.4
474.37909	16.7
475.30502	4.4
475.37997	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81581	13.6
67.05501	19.8
69.03405	15.7
69.07085	15.0
81.07078	18.7
86.09700	76.3
91.05475	18.5
95.08569	30.2
99.08085	16.6
105.07015	21.2
107.08592	28.4
109.10158	100.0
119.04977	17.0
119.08562	13.7
130.47922	12.7
133.10141	18.3
137.05969	16.7
138.33629	16.5
147.04413	57.4
182.15407	14.0
193.15872	20.9
301.62384	15.2
310.21008	15.5
385.74344	15.5
389.34604	14.2
439.23889	15.1
503.37042	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
55.01605	1.6
55.01849	3.3
55.05505	15.6
57.07063	5.7
59.04988	13.5
64.56973	1.3
64.84436	1.3
67.05489	24.3
69.03419	14.0
69.07052	36.5
71.04967	2.1
77.85644	1.5
79.05475	15.9
81.07037	65.0
83.04959	2.4
83.08604	12.9
85.06543	1.8
85.98319	1.2
86.77175	1.3
87.04429	3.6
88.40624	1.8
91.05458	9.9
92.08652	3.0
93.07025	28.4
95.04955	2.8
95.08585	100.0
97.06530	16.4
97.10149	7.4
105.06449	2.0
105.07026	26.0
106.21001	1.6
107.08579	49.0
109.06516	3.0
109.10140	52.9
111.08037	3.1
115.07538	9.2
117.07015	1.9
119.08569	28.5
121.06483	3.1
121.10120	48.9
123.08045	8.2
123.11678	35.2
125.05961	9.8
125.09560	2.9
131.08556	6.3
133.06505	2.7
133.10100	23.6
135.08028	8.6
135.11691	29.3
137.09602	6.6
137.13222	21.6
143.06950	1.8
143.08501	2.9
145.10124	15.4
147.11662	18.5
149.09578	9.8
149.13229	21.1
151.11153	2.6
153.09084	6.4
155.08539	2.0
156.09334	1.9
156.34514	1.5
156.36041	1.6
157.10149	6.0
159.11646	15.2
161.09618	2.6
161.13211	11.8
163.11182	2.8
163.14809	19.2
171.11644	5.8
173.13316	10.6
175.11252	2.6
175.14774	9.3
177.12712	2.7
177.16368	8.4
179.14195	1.8
185.13191	3.2
187.14830	8.3
189.06363	1.5
189.12692	1.8
189.16324	3.6
191.17908	39.9
199.14821	3.2
201.16373	6.2
203.17917	3.7
205.19495	1.6
208.39905	1.3
209.15355	1.9
213.16379	3.1
214.64694	1.5
215.14388	1.9
215.17888	2.4
217.19582	3.5
231.21046	1.8
235.16736	2.0
245.22627	2.1
247.16899	2.2
265.18268	1.6
337.28912	3.0
353.68265	1.5
421.34406	7.2
429.37152	12.8
439.35620	45.6
457.36682	75.9
475.31702	2.2
475.37848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01860	2.8
55.05497	1.2
57.03423	1.1
59.04973	0.5
61.02914	2.1
67.05482	2.9
68.99772	0.9
69.03423	7.4
69.07056	0.8
71.04978	12.9
73.02933	0.7
78.02281	0.5
79.05474	1.1
79.36111	0.6
81.03396	5.7
81.07046	4.7
83.08597	1.1
85.02886	14.0
85.06542	2.1
87.00815	6.3
91.05455	1.0
93.07028	4.9
95.04949	100.0
95.08605	3.7
97.02884	5.3
97.06503	5.2
99.04438	42.8
99.08075	1.1
105.01835	3.2
105.07026	2.4
107.08589	5.7
109.02879	4.4
109.06508	3.7
109.10142	7.0
111.08082	0.9
115.07572	2.4
115.27393	0.5
117.01829	0.8
119.08568	3.3
121.06587	0.7
121.10137	4.0
123.11682	0.8
125.09649	0.6
126.10458	0.5
127.03905	6.2
131.08556	3.0
133.10103	20.0
135.04344	0.6
135.08057	2.4
135.11652	0.9
137.09592	0.7
139.11151	2.8
145.04884	0.8
145.10158	0.8
149.13272	2.5
151.11147	4.1
153.09087	34.4
158.10928	0.8
159.02890	1.3
163.03844	2.3
173.13222	8.7
191.14287	11.2
209.15337	63.1
215.07004	1.0
227.16400	16.6
260.09811	0.9
269.14502	0.6
299.13989	0.6
313.13181	0.6
442.92542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54331	0.8
53.03935	4.2
55.01863	6.5
55.05505	10.4
57.03429	10.3
57.07066	2.2
59.04986	1.1
61.02909	4.7
62.23305	0.8
65.03931	0.9
67.05487	7.5
68.99790	1.5
69.03413	33.4
69.07056	11.2
71.04976	14.0
73.02888	4.4
73.53337	0.9
79.05466	8.9
81.03397	18.6
81.07042	20.1
83.04963	5.7
83.08601	7.2
83.26241	0.9
85.02892	65.9
85.06538	4.7
87.00313	1.9
87.00809	33.3
87.04470	1.1
87.92530	0.9
91.05468	10.2
93.07021	17.7
95.04949	100.0
95.08591	12.9
97.02886	20.1
97.06512	36.3
99.04434	25.8
99.08095	2.1
105.01849	14.2
105.07024	28.9
106.42768	1.0
107.04919	1.0
107.08580	31.6
109.02879	12.9
109.06502	59.3
109.10147	15.9
111.04399	1.3
111.08037	8.9
113.05943	0.9
115.07531	8.1
117.01878	1.2
117.07020	4.0
119.08567	17.0
121.06490	1.3
121.10122	29.6
123.04412	1.5
123.08059	9.2
123.11677	3.9
125.05950	1.3
125.09605	7.1
127.03903	27.3
127.07555	1.8
129.01799	1.7
129.07037	1.6
131.08537	14.5
133.10109	65.3
134.10449	1.4
135.04420	1.5
135.08023	11.0
135.11696	7.2
137.06003	2.1
137.09555	3.2
139.11145	5.9
143.08504	1.4
145.04944	5.2
145.06462	1.2
145.10123	7.0
147.04372	7.0
147.11674	42.1
147.12871	1.4
148.04713	1.6
149.09610	4.6
149.13234	6.1
151.07526	2.3
151.11136	5.6
153.07925	2.2
153.09091	37.9
158.10847	4.4
159.02892	5.5
163.03851	8.4
163.11226	2.0
163.14748	6.5
164.04224	5.1
165.04500	1.6
165.12679	6.9
167.14310	1.6
171.10138	6.7
173.13214	29.3
175.07381	1.0
180.07294	0.9
189.09158	2.1
191.14291	30.7
191.15910	1.7
205.14507	1.0
208.02905	1.0
209.15329	65.7
209.88669	1.0
210.16014	0.9
225.14977	0.9
227.16389	60.6
231.05058	3.9
475.25626	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54331	0.8
53.03935	4.2
55.01863	6.5
55.05505	10.4
57.03429	10.3
57.07066	2.2
59.04986	1.1
61.02909	4.7
62.23305	0.8
65.03931	0.9
67.05487	7.5
68.99790	1.5
69.03413	33.4
69.07056	11.2
71.04976	14.0
73.02888	4.4
73.53337	0.9
79.05466	8.9
81.03397	18.6
81.07042	20.1
83.04963	5.7
83.08601	7.2
83.26241	0.9
85.02892	65.9
85.06538	4.7
87.00313	1.9
87.00809	33.3
87.04470	1.1
87.92530	0.9
91.05468	10.2
93.07021	17.7
95.04949	100.0
95.08591	12.9
97.02886	20.1
97.06512	36.3
99.04434	25.8
99.08095	2.1
105.01849	14.2
105.07024	28.9
106.42768	1.0
107.04919	1.0
107.08580	31.6
109.02879	12.9
109.06502	59.3
109.10147	15.9
111.04399	1.3
111.08037	8.9
113.05943	0.9
115.07531	8.1
117.01878	1.2
117.07020	4.0
119.08567	17.0
121.06490	1.3
121.10122	29.6
123.04412	1.5
123.08059	9.2
123.11677	3.9
125.05950	1.3
125.09605	7.1
127.03903	27.3
127.07555	1.8
129.01799	1.7
129.07037	1.6
131.08537	14.5
133.10109	65.3
134.10449	1.4
135.04420	1.5
135.08023	11.0
135.11696	7.2
137.06003	2.1
137.09555	3.2
139.11145	5.9
143.08504	1.4
145.04944	5.2
145.06462	1.2
145.10123	7.0
147.04372	7.0
147.11674	42.1
147.12871	1.4
148.04713	1.6
149.09610	4.6
149.13234	6.1
151.07526	2.3
151.11136	5.6
153.07925	2.2
153.09091	37.9
158.10847	4.4
159.02892	5.5
163.03851	8.4
163.11226	2.0
163.14748	6.5
164.04224	5.1
165.04500	1.6
165.12679	6.9
167.14310	1.6
171.10138	6.7
173.13214	29.3
175.07381	1.0
180.07294	0.9
189.09158	2.1
191.14291	30.7
191.15910	1.7
205.14507	1.0
208.02905	1.0
209.15329	65.7
209.88669	1.0
210.16014	0.9
225.14977	0.9
227.16389	60.6
231.05058	3.9
475.25626	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
53.55231	1.3
55.01863	4.9
55.05493	2.1
57.03417	2.8
57.07047	1.1
62.33834	1.0
64.12234	1.2
67.05495	7.4
69.03415	19.1
69.07048	2.3
71.04974	17.9
78.51505	1.1
79.05471	4.7
81.03405	18.5
81.07040	10.7
83.04987	2.2
83.08607	2.9
85.02889	34.9
85.06525	11.4
87.00803	11.7
89.03904	2.8
91.05451	7.4
92.09315	1.7
93.07012	16.9
95.04946	100.0
95.08598	11.1
97.02868	10.9
97.06496	6.4
99.04433	31.7
99.08051	10.4
105.01841	8.4
105.07002	15.9
107.08577	25.2
109.02859	11.3
109.06493	4.6
109.10151	33.0
111.08086	1.6
115.07581	4.4
117.03362	2.3
119.04931	5.0
119.08565	7.9
121.06461	1.4
121.10126	12.9
123.11691	19.8
125.09603	1.4
127.03877	13.5
127.07513	2.4
129.01810	1.4
131.08551	13.8
133.10106	92.2
135.04437	9.4
135.08026	5.2
135.11687	2.4
136.04723	1.6
137.09598	1.5
139.11140	5.3
143.08560	1.6
145.02847	5.5
145.04947	4.8
145.10110	5.4
146.03105	1.5
147.04396	29.2
147.11613	2.1
148.04749	5.8
149.09566	1.7
149.12181	1.5
149.13190	10.0
151.11169	16.7
153.09085	32.8
153.10210	2.4
158.10858	2.0
159.02818	2.6
163.03877	34.3
163.14751	1.9
164.04195	16.6
165.04436	2.3
165.12665	1.6
166.04663	2.2
169.12192	6.3
173.13222	29.1
191.10695	1.3
191.14282	37.6
209.15329	70.8
227.16396	19.4
279.12521	1.1
348.69473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16823	0.4
54.82061	0.4
55.01846	0.6
55.05504	3.2
57.07067	0.6
60.52441	0.3
65.03906	0.5
67.05489	1.6
68.99422	0.7
68.99777	14.8
69.03417	0.7
69.07034	1.6
71.04985	0.5
79.05472	0.7
79.19933	0.4
81.07037	3.6
83.04958	0.6
83.08607	0.7
85.02846	0.8
85.06532	4.2
85.97559	0.4
91.05459	8.0
93.07008	2.8
95.04932	0.8
95.08607	3.1
97.06516	0.8
97.10235	0.4
99.08037	0.8
103.05445	2.0
105.07011	3.3
107.04949	4.2
107.08572	3.1
109.02857	0.5
109.06476	0.6
109.10135	0.9
111.00797	2.4
111.08115	0.6
112.65645	0.5
112.94003	0.4
115.05415	0.9
117.07008	0.8
119.04925	21.8
119.08526	1.7
121.02856	1.0
121.06439	0.7
121.10139	2.3
123.04417	4.5
127.03894	0.4
127.07594	0.6
131.04901	6.1
133.06458	1.8
133.10110	2.6
135.04431	0.9
135.11717	0.7
137.02322	15.0
137.03308	0.9
137.06155	0.5
137.09579	0.5
139.07474	0.4
143.04889	0.6
145.06487	2.0
147.04396	100.0
149.05989	1.0
149.13263	0.8
149.66479	0.4
155.04868	0.5
159.04419	2.5
159.11723	0.6
161.05962	2.9
163.03845	3.0
163.14790	0.6
165.09093	0.6
169.06367	0.9
171.04381	8.7
173.05957	1.7
173.09552	0.5
173.13139	0.8
175.03896	10.6
177.05437	13.3
181.06396	1.0
187.03860	0.9
189.05452	19.7
191.03305	0.6
191.14226	0.6
197.05954	2.0
199.03888	7.0
199.07495	1.6
201.05400	0.8
203.03363	13.5
209.15324	0.7
213.05421	1.8
215.03381	1.8
215.06999	2.4
217.04979	0.5
227.03386	7.7
227.06972	0.8
241.04935	0.7
243.06059	0.7
243.13495	0.5
245.04396	18.0
247.07581	0.4
255.06592	1.9
259.20340	0.7
261.08850	0.6
269.04431	2.0
271.02377	1.8
271.07562	2.2
273.08945	1.0
279.96738	0.5
287.05429	3.7
289.08517	3.0
301.08255	0.6
307.09604	4.1
313.03531	0.8
313.08377	0.7
317.08029	1.7
319.09579	0.8
335.09161	6.4
345.07571	2.8
363.08533	13.5
365.10175	14.2
369.07550	0.9
387.08533	2.0
389.09937	0.9
391.07983	5.4
397.06940	1.8
415.07962	6.1
429.09311	1.5
433.09097	8.4
439.07944	2.2
457.09100	12.2
475.10193	6.7
475.30518	1.0
487.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
67.05507	3.4
69.07050	10.7
78.94538	1.7
81.07041	21.2
83.08614	3.4
85.60246	1.7
91.05434	2.1
93.07024	14.7
95.08587	37.0
105.07008	3.0
107.08576	29.1
109.10143	23.1
111.08092	3.1
113.44605	1.8
119.08562	7.7
121.10136	42.5
123.11668	11.1
126.79777	1.9
131.08633	2.2
133.10124	4.1
135.11697	17.4
137.13245	12.6
147.11702	10.2
149.13243	37.5
159.11655	3.3
161.13254	3.0
163.14803	2.6
175.14804	7.4
177.16341	29.4
191.17917	44.9
195.17450	15.7
197.09660	1.9
205.19594	2.8
215.18044	3.5
217.19518	10.5
229.19594	2.7
231.21025	3.7
251.20111	3.6
320.77173	2.1
329.91006	2.5
330.37991	2.2
384.73230	2.0
407.36533	3.6
425.37704	100.0
443.38644	41.3
474.43060	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	474.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.6
57.07074	3.6
67.05490	11.6
69.07050	21.7
79.05489	3.7
81.07035	46.7
83.08614	11.8
91.05462	10.7
93.07028	31.4
95.08588	63.4
97.10142	2.9
99.88273	1.9
105.07010	31.2
107.08572	45.0
109.10138	44.2
111.08085	4.3
111.11689	2.6
119.08559	31.3
121.10130	53.8
123.11663	23.3
131.08542	13.4
133.10106	55.7
135.11670	36.8
137.13242	17.5
145.10103	19.0
146.17255	2.1
147.11671	52.1
149.13219	26.4
156.93852	1.8
159.11633	18.0
161.13240	48.7
163.14793	55.8
165.16396	2.9
167.10732	2.5
173.13232	19.9
175.14775	17.9
177.16319	4.5
179.10608	2.6
185.13251	3.2
187.14746	4.2
189.16281	15.7
191.17894	23.9
193.12248	7.9
193.19511	2.7
195.13797	2.3
199.14795	2.5
201.16345	9.5
203.17928	11.7
205.19482	10.2
207.13734	23.9
215.17970	7.5
217.15916	2.5
217.19551	10.4
219.20929	3.0
221.15379	9.1
231.21078	13.5
235.16902	11.3
247.16849	8.0
277.21512	3.5
285.25687	2.9
331.26678	2.9
353.32089	3.3
398.82932	2.1
427.35654	100.0
439.35617	49.8
457.36569	25.7
474.39688	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	474.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.5
56.84343	2.4
57.07074	3.2
59.13920	2.4
59.24297	2.3
61.54358	2.9
69.07056	43.3
81.07043	17.1
83.08614	5.7
91.05455	2.9
93.07036	11.7
95.08616	23.8
95.09150	3.2
102.02977	3.5
105.06976	6.6
107.08594	16.2
109.10164	5.0
111.08078	4.2
111.11703	64.4
111.12389	4.6
111.20177	2.5
111.26992	3.0
119.08566	5.1
121.10164	7.1
123.08046	100.0
123.11698	13.8
133.10168	3.1
135.11629	5.3
137.09596	7.3
137.13268	4.7
145.10081	4.5
149.13243	6.8
257.22473	4.6
275.23669	39.4
411.36035	4.3
421.34906	4.1
439.35709	19.5
457.36841	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	474.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.0
57.07059	13.4
67.05489	14.7
69.07055	38.9
70.07392	7.8
76.55813	6.3
79.05490	16.4
79.82988	6.4
81.07050	65.2
83.08600	12.4
83.40962	6.6
91.43105	7.1
93.07029	31.0
95.08585	84.7
97.06516	39.9
98.06837	7.7
105.07050	11.0
107.08575	44.5
109.06477	8.5
109.10160	49.2
115.42980	7.2
119.08531	14.8
121.10111	31.6
123.11697	34.7
133.10118	9.3
135.08012	15.8
135.11671	25.2
137.13223	11.6
145.10178	11.1
147.11647	17.4
149.09599	100.0
149.13231	12.2
157.10184	10.8
159.11644	8.3
161.09602	14.7
163.14735	8.5
173.13255	9.0
185.13419	7.7
191.14244	7.2
201.16507	8.6
207.13785	9.6
254.86072	6.7
261.18344	8.3
269.43878	6.8
271.20508	88.1
305.61832	7.7
319.31229	7.2
376.04114	8.1
408.26120	7.9
421.34601	10.1
426.15414	8.9
439.35532	85.1
443.98373	8.1
457.36813	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35143	0.6
55.05494	1.1
57.03432	7.5
57.07068	12.0
58.06591	41.3
59.07369	17.3
60.08152	13.1
61.99476	0.5
62.29269	0.6
62.69514	0.6
67.05479	1.1
69.07066	1.2
71.08617	5.9
73.02891	1.1
75.04455	3.8
81.07036	2.7
83.08603	1.0
84.08095	0.7
85.02892	2.9
85.10166	2.9
87.04441	5.7
92.23339	0.6
95.08580	4.0
106.56909	0.7
113.06013	1.2
117.88453	0.6
144.10182	10.8
155.23680	0.9
162.11263	1.1
181.31732	0.7
236.14891	100.0
313.27243	1.2
356.02979	0.7
456.36771	17.3
468.17896	0.9
474.37811	78.9
475.38312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03334	1.2
55.05497	10.5
57.03431	16.0
57.07067	41.7
57.07333	2.3
59.04997	5.9
60.39239	1.1
60.54631	1.2
67.05493	100.0
69.07063	17.1
71.04998	3.3
71.08621	28.2
74.80607	1.2
78.77321	1.2
79.05455	2.6
81.07046	32.9
83.08614	11.5
85.06537	1.8
85.10163	16.5
91.05479	5.3
93.07024	9.2
95.08589	37.5
97.10162	3.4
105.07005	2.9
107.08556	10.3
109.09399	2.8
109.10144	79.1
111.08085	2.4
111.11679	1.6
116.60192	1.4
119.08595	11.6
121.10134	7.0
123.11684	7.0
133.10156	4.5
135.11674	2.7
137.09647	2.0
137.13251	2.6
140.35075	1.3
145.10123	2.2
147.11676	2.8
149.13226	3.2
159.11613	1.4
163.14828	2.6
173.11728	15.1
201.16345	1.8
211.20384	1.3
229.14304	30.0
285.24191	36.6
313.27231	3.3
316.85242	1.4
332.44116	1.4
421.34311	2.4
434.45471	1.5
439.34140	69.1
457.36786	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	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05484	0.5
57.03430	8.3
57.07068	4.6
58.06591	28.6
58.43992	0.2
59.07372	11.4
60.08155	8.8
67.03268	0.3
67.05460	1.3
67.23819	0.2
69.07021	1.2
70.70960	0.3
71.08619	3.5
73.02872	0.5
75.04472	4.0
81.07014	1.4
83.08598	0.4
85.02905	2.3
85.10128	1.0
87.04447	6.0
93.05464	0.3
95.08583	2.2
103.03897	1.2
105.05511	0.8
107.08524	0.3
109.10109	1.1
113.05980	0.5
114.04224	0.3
119.08437	0.3
123.11679	0.3
131.06995	2.2
144.10182	7.6
147.04332	1.5
162.11237	4.2
187.02209	0.3
187.04167	0.3
187.95683	0.2
218.13857	0.3
236.14893	100.0
300.66696	0.3
313.27365	0.4
369.30115	0.3
412.37976	0.6
456.30328	0.5
456.36716	13.3
474.37860	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38509	1.8
50.54697	1.7
54.22149	1.7
55.05519	2.1
57.07092	2.2
57.75207	2.0
64.76482	1.9
66.57766	2.5
66.59692	2.0
67.05499	5.5
67.31037	1.8
69.03425	5.7
69.07052	2.8
71.04993	8.5
79.05470	4.0
81.03396	4.3
81.07029	5.4
85.02899	12.5
87.00819	4.9
91.05463	4.5
92.08614	4.0
95.04971	4.7
95.08588	9.0
97.02859	3.4
101.03764	2.3
105.07028	10.7
107.08604	13.5
109.02878	3.3
109.06496	100.0
109.10153	26.0
117.06966	2.7
119.08592	2.8
121.10090	3.8
123.08046	9.4
127.03934	9.1
129.07024	2.4
131.08536	18.9
133.10095	31.3
135.08035	49.9
145.10083	3.4
147.11641	3.7
149.02348	2.9
151.11078	3.1
158.10936	3.0
173.13222	17.1
191.14284	57.1
209.15327	47.5
332.14874	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	474.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36016	0.2
53.03939	0.3
53.84212	0.2
55.05502	0.4
57.03416	0.3
64.33932	0.2
69.03416	8.0
76.56695	0.2
81.03403	1.5
85.02890	0.9
85.06525	0.2
91.05463	2.9
97.02879	6.2
99.04443	2.3
103.56876	0.2
109.02869	0.3
110.07934	0.2
113.05991	0.7
119.04924	13.6
127.03896	0.3
147.04395	100.0
148.04808	0.4
165.05455	1.8
249.07478	0.2
291.08353	0.7
309.09622	10.6
389.12619	0.2
407.13324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77223	0.1
52.77520	0.1
53.03937	0.1
55.05507	4.9
57.03428	0.1
57.07067	17.2
61.02897	0.1
65.03912	0.4
69.03419	0.4
69.07039	0.1
72.90769	0.1
73.06541	1.3
76.03107	0.1
81.03384	0.3
85.02886	1.8
88.05072	0.1
91.05480	0.2
93.03378	0.1
97.02873	0.5
98.45755	0.1
99.04449	0.1
121.02850	2.4
121.03817	0.2
127.03917	0.1
129.06941	0.7
131.08546	0.4
143.04869	0.2
145.04889	0.1
149.02324	100.0
150.02704	0.7
161.05956	1.2
165.09087	0.6
167.03384	1.7
175.07512	4.5
203.07007	3.6
205.08575	3.3
221.08008	0.8
238.79819	0.1
277.14294	17.2
278.14612	0.1
295.15417	1.1
481.14136	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	473.3627
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
52.36319	1.1
53.00332	1.0
55.01850	1.0
55.05502	7.0
57.07067	1.6
62.82095	0.9
66.06616	0.9
67.05491	7.5
69.07055	13.4
70.35303	0.9
76.09694	0.9
79.05478	2.7
81.07049	13.9
83.08605	8.6
85.02903	1.2
85.06570	1.3
91.05454	4.6
91.81648	1.1
93.07036	8.8
95.04955	1.2
95.08601	23.3
97.06512	1.3
99.04437	6.0
105.07040	6.8
107.08593	13.9
109.06512	1.4
109.10167	8.3
111.04389	1.1
112.05215	5.0
119.08581	10.0
121.06511	1.4
121.10133	11.7
123.08096	1.5
123.11710	7.2
125.05997	1.4
127.11189	4.2
131.08516	1.8
133.10132	6.8
133.43745	1.1
135.08058	5.6
135.11665	6.4
137.05965	2.5
137.09659	1.5
137.13217	2.4
143.08551	1.7
145.10144	5.4
147.08104	1.6
147.11703	7.3
149.09625	6.2
149.13277	7.1
151.11172	1.3
157.10153	4.7
159.11703	2.2
160.18687	1.2
161.09628	2.6
161.13235	2.0
163.07524	2.3
163.11206	1.6
163.14833	1.9
171.11661	1.9
173.09564	1.2
173.13304	2.0
175.07578	1.7
175.14888	2.3
177.09091	4.4
177.16501	2.0
179.10776	1.3
185.13368	1.6
187.11118	1.9
189.09171	1.7
189.12881	1.9
191.10640	2.7
192.18466	1.2
205.12276	5.7
213.12646	1.4
245.18935	2.0
265.19644	1.6
269.18716	1.1
272.21405	4.9
273.22168	6.5
287.20181	1.4
297.22180	6.2
301.21625	2.7
315.23135	74.7
327.23325	4.2
329.24698	2.0
371.25842	2.7
383.29477	2.2
385.30988	53.4
421.34177	1.2
427.31894	11.4
439.35663	12.9
441.33466	2.7
455.35114	1.3
473.36237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
57.03416	0.7
69.03417	3.0
71.01309	0.2
79.05466	0.6
81.03402	1.2
85.02880	1.7
86.55840	0.1
87.04414	0.2
89.03893	1.8
97.02867	7.3
99.04409	0.7
105.34000	0.2
107.04937	1.5
109.02852	0.6
117.03356	4.2
127.03893	0.7
128.81061	0.2
133.02823	0.2
135.04391	11.8
140.65398	0.2
145.01674	0.4
145.02831	10.8
147.04344	0.2
163.03870	100.0
164.04210	1.5
181.04907	1.3
296.11963	0.2
307.08069	0.9
325.09106	13.9
405.12524	0.2
421.11255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57327	0.2
53.03934	0.4
55.05503	0.9
65.24545	0.2
67.00452	0.2
69.03072	0.4
69.03419	9.1
76.55626	0.3
81.03392	1.9
83.04951	0.5
85.02885	1.2
91.05463	3.4
92.09335	0.5
97.02872	3.6
99.04431	3.3
106.33449	0.2
113.05971	1.4
116.07012	0.3
119.02102	0.3
119.04922	17.6
143.11769	0.2
147.04393	100.0
154.69919	0.2
157.68874	0.2
163.03899	0.5
165.05432	1.2
192.82298	0.2
259.09555	0.3
291.08646	0.3
309.06332	0.4
309.09616	4.9
407.13376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34092	1.4
55.01872	1.9
55.05264	1.8
55.05508	28.9
57.03434	3.0
57.07061	1.8
62.45040	1.4
67.05502	24.0
69.03425	17.1
69.07063	25.1
71.04994	2.4
73.40797	1.3
79.05461	13.9
81.07046	26.9
83.04979	2.9
83.08611	26.5
85.02904	2.9
91.05458	13.0
91.20981	1.6
92.08609	2.6
93.07040	26.1
95.04974	14.5
95.08595	21.0
95.48272	1.6
97.06500	14.8
97.10165	18.3
99.04461	1.7
105.03400	1.5
105.07027	26.8
107.08574	23.2
108.53197	1.8
109.06501	11.8
109.10149	45.0
117.07016	9.8
119.08589	24.8
121.06485	12.6
121.10135	11.4
123.08041	18.4
123.11693	3.0
125.05988	2.0
125.09613	36.0
127.11198	12.9
128.06203	1.8
129.06982	5.8
130.07799	2.0
131.08560	41.6
133.06448	1.9
133.10115	15.9
135.08037	10.3
135.11722	13.6
137.05951	7.3
137.09651	1.9
142.07745	2.4
143.08533	14.7
145.06506	2.4
145.10107	42.7
147.08058	6.3
147.11723	7.8
149.09630	9.1
155.08534	7.0
155.14328	5.8
156.09328	2.4
157.10109	12.3
158.07214	2.0
158.10912	2.4
159.08054	7.3
159.11673	15.0
161.09569	12.9
161.13252	3.1
163.11165	18.9
168.09454	1.7
169.10115	7.7
171.08093	11.0
171.11713	6.6
173.09589	35.0
173.13235	89.4
173.14745	3.5
175.11195	7.8
175.14775	3.6
181.10124	2.9
183.07964	2.0
183.11702	10.3
185.09595	6.8
185.13234	11.1
187.11223	9.1
187.14819	3.2
189.09117	10.5
189.12621	2.5
191.10689	7.0
191.14308	17.2
193.10155	2.3
193.15938	7.3
195.11696	10.4
197.13295	10.3
198.10385	3.2
199.11145	9.2
201.09088	1.8
201.12700	14.7
207.11798	2.2
209.13272	6.4
209.15405	6.8
211.11139	1.8
211.14674	3.2
213.12694	18.9
215.14288	12.9
219.13806	3.2
221.13235	3.7
223.11258	1.9
225.12740	3.1
225.16389	1.9
231.13782	13.7
237.12759	3.2
237.16441	2.5
239.14326	6.1
241.12209	2.3
241.15755	2.0
253.15822	15.6
255.17261	2.6
259.09857	2.6
260.09961	1.7
261.18384	3.7
265.15848	2.9
267.17422	1.9
271.16986	12.1
275.18042	2.9
283.16971	16.2
283.20502	6.4
293.19016	12.0
301.17960	44.1
301.21036	1.6
302.18698	6.0
311.20007	35.9
321.18701	1.8
329.21066	48.3
331.22708	6.2
347.22141	30.6
353.21094	3.2
357.20645	7.5
371.22137	22.5
375.21811	2.5
437.30450	9.2
455.25189	2.8
455.31442	62.0
456.31946	2.2
472.76208	1.8
473.32587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23318	0.2
51.52446	0.2
53.03943	0.3
53.80134	0.2
55.05508	13.5
64.70814	0.2
65.03930	1.3
67.05491	0.3
69.03451	0.3
69.07041	0.2
69.63934	0.2
73.06538	7.6
81.53143	0.2
85.02896	0.6
91.05444	0.9
93.03360	0.3
95.04973	0.3
97.06526	2.5
98.06843	0.3
121.02854	4.2
121.03725	0.4
121.03867	0.3
129.06978	1.6
131.08511	1.9
133.10095	0.3
143.04881	0.3
149.02328	100.0
150.02647	0.5
157.06526	0.2
161.02307	0.3
161.05975	2.9
163.03816	2.0
165.66621	0.2
167.03380	1.5
173.02371	1.1
173.04614	0.2
174.74695	0.2
175.07509	10.9
203.06996	7.5
215.07057	0.5
216.07501	0.3
217.54674	0.3
221.08101	2.9
259.09662	1.3
260.10046	1.0
275.12735	3.8
277.10629	0.3
279.28955	0.3
293.13797	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01856	3.8
55.05507	6.1
57.03429	2.8
57.07051	4.9
59.04988	1.1
61.02907	1.0
67.05493	21.4
68.99760	0.9
69.03412	10.0
69.07042	3.7
69.17541	0.7
71.04987	2.4
79.05478	3.4
81.03415	5.6
81.07027	3.9
83.04983	1.6
83.08608	3.5
85.02894	14.1
85.06517	8.6
87.00810	6.6
87.75103	0.7
89.03889	0.9
89.08302	0.6
89.81465	0.8
91.05469	4.9
93.07034	8.9
95.04939	6.4
95.08587	100.0
96.08833	0.9
97.02867	7.0
97.06505	7.0
99.04454	0.9
105.01836	5.5
105.07030	9.4
106.90279	0.8
107.04940	5.6
107.07885	0.9
107.08587	17.2
109.02905	5.1
109.06510	5.3
109.10155	6.6
109.10750	0.8
113.05972	8.1
117.03365	1.3
119.04967	2.6
119.08556	16.7
121.06469	1.3
121.10141	9.1
123.04398	10.2
123.08046	27.0
123.11636	1.6
124.07521	1.2
125.09614	1.0
127.03903	6.9
131.08516	4.2
133.06487	0.8
133.10118	5.2
134.94061	0.9
135.04414	8.4
135.08043	2.8
135.11691	11.5
136.04721	3.9
137.09599	28.1
139.07527	0.9
141.06929	0.7
143.10637	1.0
145.02823	5.3
145.04947	1.1
146.03175	1.5
147.04422	7.3
147.08032	2.9
147.11653	6.4
149.09607	31.1
151.07538	4.0
151.14795	1.4
153.09068	1.7
161.02303	1.2
161.05904	1.8
161.13219	8.6
162.06300	1.5
163.03883	36.1
163.11160	4.4
164.04202	19.9
165.09093	18.2
165.12698	6.7
171.11652	1.7
173.02258	1.7
174.10364	3.0
179.14343	1.5
189.09116	1.0
189.12733	11.0
190.09451	1.5
195.69997	0.9
207.13782	40.3
215.06969	6.9
216.07446	1.3
225.14857	7.0
231.04948	0.8
252.19212	0.8
259.09583	4.6
260.09903	3.5
277.10687	3.3
329.38577	0.8
383.44135	0.8
437.10864	0.8
452.37891	0.7
496.02118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01856	3.8
55.05507	6.1
57.03429	2.8
57.07051	4.9
59.04988	1.1
61.02907	1.0
67.05493	21.4
68.99760	0.9
69.03412	10.0
69.07042	3.7
69.17541	0.7
71.04987	2.4
79.05478	3.4
81.03415	5.6
81.07027	3.9
83.04983	1.6
83.08608	3.5
85.02894	14.1
85.06517	8.6
87.00810	6.6
87.75103	0.7
89.03889	0.9
89.08302	0.6
89.81465	0.8
91.05469	4.9
93.07034	8.9
95.04939	6.4
95.08587	100.0
96.08833	0.9
97.02867	7.0
97.06505	7.0
99.04454	0.9
105.01836	5.5
105.07030	9.4
106.90279	0.8
107.04940	5.6
107.07885	0.9
107.08587	17.2
109.02905	5.1
109.06510	5.3
109.10155	6.6
109.10750	0.8
113.05972	8.1
117.03365	1.3
119.04967	2.6
119.08556	16.7
121.06469	1.3
121.10141	9.1
123.04398	10.2
123.08046	27.0
123.11636	1.6
124.07521	1.2
125.09614	1.0
127.03903	6.9
131.08516	4.2
133.06487	0.8
133.10118	5.2
134.94061	0.9
135.04414	8.4
135.08043	2.8
135.11691	11.5
136.04721	3.9
137.09599	28.1
139.07527	0.9
141.06929	0.7
143.10637	1.0
145.02823	5.3
145.04947	1.1
146.03175	1.5
147.04422	7.3
147.08032	2.9
147.11653	6.4
149.09607	31.1
151.07538	4.0
151.14795	1.4
153.09068	1.7
161.02303	1.2
161.05904	1.8
161.13219	8.6
162.06300	1.5
163.03883	36.1
163.11160	4.4
164.04202	19.9
165.09093	18.2
165.12698	6.7
171.11652	1.7
173.02258	1.7
174.10364	3.0
179.14343	1.5
189.09116	1.0
189.12733	11.0
190.09451	1.5
195.69997	0.9
207.13782	40.3
215.06969	6.9
216.07446	1.3
225.14857	7.0
231.04948	0.8
252.19212	0.8
259.09583	4.6
260.09903	3.5
277.10687	3.3
329.38577	0.8
383.44135	0.8
437.10864	0.8
452.37891	0.7
496.02118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01846	0.2
55.05505	11.2
57.03424	0.4
61.67843	0.1
65.03924	1.0
66.99126	0.2
67.05470	0.2
69.03406	1.2
69.07050	0.4
73.06150	0.3
73.06539	6.2
79.05454	0.3
81.03395	0.8
81.07062	0.2
85.02879	2.8
87.00784	0.2
91.05444	0.8
91.07567	0.4
93.07026	0.4
95.08578	0.3
97.02861	1.1
97.06507	3.2
98.06846	0.8
99.04446	0.2
105.01817	0.2
105.07021	1.0
107.08558	0.3
109.02866	0.4
111.04415	0.2
111.43911	0.2
117.03329	0.2
119.08581	0.4
121.02064	0.3
121.02845	3.5
121.03816	0.3
122.21731	0.2
123.08025	0.3
123.11690	0.2
127.03924	0.4
129.06964	0.7
131.08539	0.8
133.10040	0.3
135.04355	0.3
137.09596	0.3
145.02805	0.2
145.04945	0.2
147.11662	0.3
149.02321	100.0
150.02603	0.3
157.06528	0.2
161.02303	0.6
161.05894	1.3
161.09615	0.3
162.29866	0.2
163.03873	3.2
163.11183	0.2
164.04208	0.4
165.12744	1.2
167.03340	1.5
173.02306	1.8
173.13307	0.2
174.02625	0.2
175.07504	4.5
203.07018	4.9
207.13820	0.8
215.07021	1.6
216.07370	0.8
221.08054	5.4
259.09576	2.7
260.09961	1.6
275.12952	0.6
293.13779	11.2
333.91306	0.2
397.50873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.6
53.03938	4.4
55.01858	3.4
55.05505	38.7
56.05832	0.7
56.39226	0.5
57.03427	1.3
57.07077	0.8
58.02020	0.6
61.02913	1.3
64.21544	0.5
67.05495	4.3
69.03419	9.7
69.07044	4.2
70.06564	0.6
71.04985	4.6
71.43093	0.6
73.02909	2.5
73.06537	9.2
79.05487	7.1
81.03400	8.2
81.07045	6.5
82.06571	4.9
83.04945	1.4
83.08601	10.3
84.08128	2.5
84.08945	1.0
85.02893	13.3
85.06529	1.0
87.00804	8.9
89.03906	0.6
91.05463	7.1
93.07020	6.5
95.04966	0.9
95.08598	3.9
97.02881	12.3
97.06512	19.4
97.10181	0.8
98.06858	3.5
98.09666	3.8
99.04423	10.1
100.07597	2.5
100.11234	19.0
101.11564	1.4
105.01842	3.8
105.07013	24.3
107.04934	1.2
107.08543	4.8
109.02879	6.8
109.06496	2.4
109.07635	0.8
109.10178	1.3
110.06032	2.6
111.04446	3.4
111.08087	0.8
112.07619	0.6
116.02232	0.7
117.03362	2.5
119.08565	4.1
121.02837	3.1
121.06484	3.4
121.10181	1.0
123.08052	3.4
123.11639	0.6
127.03866	9.4
128.06239	1.0
128.07135	0.7
129.06985	0.7
131.08554	1.5
133.06500	3.1
133.10107	19.8
134.03708	0.6
135.04395	2.6
135.08041	0.7
137.05920	1.3
137.09621	0.8
139.08615	0.9
143.08542	2.9
145.02812	2.3
145.04938	1.2
145.10123	2.7
147.11687	2.5
149.02318	71.4
151.07492	1.2
159.03003	1.0
159.04465	1.2
161.02321	3.0
161.09587	21.7
161.10870	1.1
162.02693	0.7
163.03865	16.5
163.11145	7.0
164.04234	3.7
166.15907	1.4
167.03381	0.9
171.08121	1.0
173.02348	6.8
174.02748	1.4
175.07562	2.7
177.58792	0.8
179.10571	6.5
182.15395	3.7
184.02831	4.0
187.09918	3.1
187.60031	0.7
189.09047	6.0
196.10400	3.6
202.03792	1.2
203.06987	1.5
207.10078	4.9
209.16513	2.9
210.14966	2.5
212.14334	0.7
214.63239	1.5
215.07008	6.5
216.07336	3.1
216.12096	1.2
219.13220	1.0
221.07999	6.6
225.11208	3.9
228.13724	5.3
228.63992	2.3
232.13309	0.7
237.14291	6.3
237.64359	4.6
238.14909	1.0
240.63065	0.6
244.64743	0.8
246.14865	5.1
246.64935	0.9
247.11285	0.9
259.09583	18.5
260.09921	9.1
264.13809	2.4
264.16345	0.8
265.12344	3.2
269.11584	0.7
269.17508	1.0
273.16574	0.8
277.10742	0.8
282.14716	1.2
282.17474	0.7
283.13318	3.9
287.18570	0.8
293.13788	10.7
301.14444	1.1
305.59717	0.6
308.12787	3.6
322.69485	0.8
323.20987	1.0
326.13934	1.3
332.71860	0.8
341.22302	1.3
350.22781	3.3
350.72745	1.2
351.23206	0.8
355.17813	0.9
356.16519	1.4
373.19272	1.4
374.17841	2.9
407.23218	0.9
436.29272	1.0
436.79626	1.5
445.30185	2.6
445.80112	5.5
446.30273	1.1
454.30518	9.7
454.80750	10.6
455.15475	1.5
455.31085	7.2
463.31134	15.0
463.81311	25.6
464.31476	10.5
464.82303	1.5
472.31628	76.6
472.81772	100.0
473.32004	44.6
473.81961	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	472.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.0
57.07069	5.0
57.81326	3.0
62.33121	2.8
64.81858	3.1
67.05486	7.5
69.07045	17.9
81.07043	31.2
82.42635	2.7
83.08633	3.6
91.05456	3.3
92.43057	3.5
93.07018	21.3
95.08575	51.4
97.06505	7.3
105.06990	4.9
107.08588	22.8
109.06506	6.5
109.10143	43.5
119.08576	6.8
121.06471	3.2
121.10128	29.2
123.11681	18.9
131.08553	6.4
133.10118	3.7
135.08023	5.7
135.11664	37.4
137.13220	13.3
145.10141	12.6
147.11617	4.8
149.13254	36.4
159.11646	15.7
163.14859	24.6
173.07906	3.6
175.14838	3.4
191.17906	100.0
205.15836	6.8
205.19516	19.1
208.49564	3.4
215.17921	22.6
223.16888	79.5
233.18956	42.5
237.48888	3.1
273.41559	3.7
274.36212	3.1
275.41586	3.2
283.26068	3.6
375.21710	3.5
382.45804	3.2
437.34076	4.9
455.35260	38.3
472.35327	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	473.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.8
55.05494	0.6
55.74247	0.7
57.03418	0.7
63.20761	0.5
67.05495	1.1
68.99778	5.3
76.56564	0.7
79.05472	0.9
81.07047	1.4
85.02865	1.4
91.04958	1.1
91.05469	20.9
92.97438	0.7
93.07026	1.1
95.04945	1.3
95.08575	4.4
96.08872	0.8
97.06528	1.1
105.06982	1.4
107.04935	1.1
108.21474	0.8
109.02881	0.7
115.05476	1.0
117.07018	1.0
119.04928	41.2
119.08559	1.0
121.06526	0.8
123.04382	1.8
131.04880	1.3
133.06407	1.0
133.10106	0.8
135.08121	0.8
137.02318	3.8
147.04398	100.0
147.40176	0.8
161.05933	3.0
163.03876	1.1
165.09035	1.7
169.06438	1.5
171.04385	3.8
175.03902	3.0
181.06458	3.3
181.88382	0.7
189.05383	11.3
197.05965	3.3
209.05948	1.6
213.05377	1.2
215.03433	1.4
215.07016	3.7
221.05898	1.0
227.07138	1.3
237.05432	8.6
241.04739	1.0
243.06325	1.3
247.07312	0.9
255.06458	11.7
265.04898	11.2
283.05899	5.8
285.07458	4.4
293.04510	5.1
307.09534	3.5
311.01981	1.2
311.05466	22.3
322.10757	0.9
339.51465	0.8
363.08453	5.7
455.11371	6.9
472.27698	0.9
473.12183	21.1
473.21896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	29.8
55.05502	2.4
57.03440	5.8
57.07070	18.8
62.75386	1.1
67.05497	6.3
69.07060	7.6
71.08615	10.6
75.41380	1.1
79.05489	5.7
81.07042	8.1
83.08620	4.4
85.10162	8.5
95.08586	13.4
97.06512	100.0
97.10162	1.7
107.08588	2.6
109.10146	6.6
119.08579	1.5
123.11731	1.5
125.05968	18.0
129.05457	6.3
135.08119	1.3
135.11642	1.7
137.13283	1.3
149.13272	1.6
163.14851	1.5
199.09712	1.4
233.15462	2.6
251.16476	2.5
313.27289	24.4
321.20761	1.2
367.28546	4.2
437.32574	34.9
455.34985	4.6
465.87079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41201	0.3
55.01842	0.5
55.05503	3.6
55.63885	0.3
57.03429	8.2
57.07050	0.7
58.06592	30.2
59.07373	13.0
60.08154	8.9
67.05502	2.9
69.07058	4.7
69.37741	0.3
73.02891	0.5
75.04472	4.4
76.56326	0.4
79.05426	1.7
79.21420	0.4
81.07062	2.6
81.07415	0.3
82.02806	0.3
83.08583	2.3
84.08134	0.5
85.02910	2.8
87.04459	6.2
92.08610	0.6
93.05489	0.5
93.07013	1.5
95.08566	1.5
97.06525	0.4
97.10140	0.6
103.03936	0.5
105.05460	0.7
105.07029	0.5
107.08549	0.5
109.10109	0.7
121.10120	0.4
131.06982	1.9
135.11697	0.4
144.10181	7.5
162.11206	5.0
169.44283	0.4
210.96519	0.4
218.13898	0.6
236.14893	100.0
237.15195	0.5
295.07312	0.5
410.35962	0.5
454.35159	13.7
472.36261	56.2
473.36624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.3
57.07068	5.6
64.99732	5.8
65.34033	2.9
67.05485	6.8
69.07047	22.7
74.49168	3.2
76.56245	3.8
79.05502	12.5
81.07032	22.2
93.06994	7.2
95.08586	30.3
105.07037	29.0
107.08568	27.6
108.02614	3.3
109.10136	17.1
118.11893	3.3
119.08549	14.2
121.10124	17.1
123.11745	4.2
125.05947	16.4
125.54661	4.0
133.06477	6.5
133.10106	7.2
135.08038	67.0
135.11694	7.4
137.13257	4.7
145.10146	6.3
147.11703	16.4
149.13211	6.4
153.09070	7.8
159.11624	7.0
161.09589	5.7
161.13211	4.6
163.14774	8.4
165.03741	5.2
173.13239	6.0
175.14841	15.3
181.08694	4.9
187.14729	5.3
191.17918	15.0
217.15724	3.4
219.17336	5.7
239.17542	4.4
245.19029	3.9
257.18912	23.6
295.17255	34.2
388.27875	3.4
395.32831	18.9
437.34052	59.5
455.35123	100.0
472.37695	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
51.72840	0.3
51.73083	0.2
53.03934	0.5
53.20563	0.2
53.25495	0.3
53.82870	0.2
55.05504	2.7
57.03420	1.2
69.03418	3.4
71.01318	0.4
72.07139	0.3
81.03382	2.0
83.04970	3.1
85.02885	1.4
91.05470	4.0
92.08662	0.4
96.04453	0.7
97.02876	12.2
97.06512	1.6
99.04427	1.5
109.02864	0.6
111.04433	26.9
119.04926	16.2
119.05798	0.4
127.03860	0.6
129.05455	0.3
134.88840	0.4
146.80420	0.3
147.04396	100.0
147.34290	0.3
161.05968	1.3
163.03873	3.4
165.05461	2.0
182.11914	0.3
189.05443	0.3
189.09114	1.2
215.07013	0.6
259.09610	2.0
291.08591	1.3
309.09637	15.0
386.88724	0.4
405.11743	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	472.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05498	0.4
57.03444	0.6
67.05487	0.6
69.03399	0.8
69.07059	4.0
71.01334	3.8
72.37060	0.4
79.05469	2.8
80.07262	0.3
83.04953	2.1
85.02893	0.6
89.03896	3.5
91.05457	0.5
95.04955	3.9
97.02842	0.5
97.06512	13.8
99.04428	0.6
107.04938	1.6
109.02869	1.5
115.03945	0.3
115.05434	0.7
117.03345	5.9
118.79514	0.4
121.06477	0.4
123.04450	1.5
129.06978	0.9
135.04387	15.0
141.07001	1.7
143.08517	0.5
145.02838	11.0
147.04388	1.7
149.06003	0.5
152.06148	0.8
157.06406	0.7
160.05171	4.9
161.02283	0.6
161.05954	16.3
163.03877	100.0
164.04208	0.6
167.08537	2.1
169.06471	0.5
171.08080	0.7
173.05956	3.0
174.06815	0.4
175.03909	2.3
175.07487	1.7
177.05423	0.6
181.04788	0.5
184.05161	0.7
185.05971	1.4
185.09584	0.6
185.56474	0.4
189.01822	1.5
189.05461	1.6
189.09070	18.0
195.08057	3.7
197.06137	0.5
198.06697	0.5
203.06946	0.5
203.10634	0.6
207.02861	0.9
213.09108	3.9
215.06990	10.9
217.08514	3.4
230.05629	0.4
231.10123	1.6
241.08606	0.5
259.09613	29.5
277.10703	0.6
309.70786	0.4
313.24615	0.4
325.09232	0.9
375.29459	0.4
437.14505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56884	1.8
55.05497	3.2
56.70516	1.9
56.96559	28.3
60.40828	2.2
61.16498	2.0
64.33126	2.3
66.12788	2.3
67.05506	4.5
68.45150	2.3
70.04797	1.9
79.05469	3.1
81.07049	3.1
89.06055	3.2
91.05450	4.5
93.07043	4.0
95.04930	2.5
98.97557	53.2
105.07003	2.8
111.97398	2.5
116.98602	52.4
119.08598	3.5
134.99651	48.8
135.00662	3.9
139.07103	2.2
149.08316	2.3
153.00725	5.0
158.01250	2.3
180.03371	2.6
224.95726	2.3
272.05856	19.4
290.06888	50.3
291.06870	2.5
298.07532	4.0
299.09705	2.6
299.35062	3.7
300.09024	5.5
301.10941	3.9
308.08167	4.0
314.03720	2.3
314.07068	14.8
316.08273	3.3
318.10147	14.8
326.10568	38.8
332.08020	5.1
342.10086	9.7
344.11615	68.1
348.06979	3.0
351.09210	2.4
354.13687	11.2
358.59644	2.7
358.67484	2.5
360.11121	27.3
368.11658	24.7
372.14807	22.0
376.14331	4.9
384.11145	12.0
386.12653	10.1
400.14087	28.4
402.12183	9.4
418.15311	15.0
428.17230	16.8
446.18729	4.1
472.16367	100.0
490.17297	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Maytenfolone A
Peak:m/z	Relative Intensity
55.05496	6.6
56.11372	4.4
56.11690	4.4
57.03418	5.2
59.04992	27.1
61.02943	4.8
67.05492	25.4
69.07061	38.6
79.05462	10.1
81.07037	59.0
83.04979	6.1
84.49780	5.0
91.05453	10.0
93.07013	26.1
95.04947	6.9
95.08591	69.3
97.06557	22.7
105.07024	25.0
107.08568	41.6
109.06493	9.8
109.10136	40.5
113.05927	9.6
119.08568	34.1
121.10162	29.5
123.08068	39.8
123.11678	21.3
125.05988	39.1
131.08556	9.5
133.10100	33.5
135.08055	27.1
135.11707	10.9
137.09622	10.2
137.13260	10.8
143.08551	6.1
145.10063	8.6
147.08052	7.7
147.11720	13.2
149.09621	32.8
149.13245	11.8
151.11107	8.9
157.10144	11.2
159.08051	7.9
159.11644	22.6
161.09644	9.8
161.13274	9.1
163.14801	11.2
169.14088	6.2
171.11746	7.4
173.09604	5.2
173.13266	10.6
179.82178	5.3
183.11679	6.5
185.13182	6.9
187.11102	7.2
197.13232	26.4
211.14948	6.4
215.14317	5.7
227.14305	5.8
229.15822	8.2
239.14272	12.4
255.20941	10.7
257.15186	11.5
257.22488	7.1
395.29398	100.0
413.30246	58.7
453.33475	24.5
471.34766	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.05502	4.5
57.03427	0.5
57.07040	0.2
69.03414	5.7
76.02206	0.4
79.05458	0.4
80.05003	0.4
81.03381	2.2
82.06530	0.4
83.08603	2.1
85.02898	2.2
85.06521	1.3
89.03898	2.5
97.02884	3.4
97.10130	0.3
98.05991	0.3
99.04429	2.2
100.07605	0.4
100.11236	15.8
100.93738	0.3
101.11578	1.3
107.04907	1.5
111.04433	1.3
112.07533	0.3
113.06010	2.2
113.99096	0.3
116.07025	0.3
117.03358	5.6
127.03902	0.3
128.07066	0.7
135.04395	15.5
137.02325	0.3
143.08530	0.4
145.02821	14.3
147.04350	0.3
157.06462	0.4
160.05205	0.3
161.05937	1.8
163.03873	100.0
164.04236	1.1
167.08551	0.6
169.06442	1.1
171.08099	0.3
173.05922	0.4
175.03685	0.3
175.07484	0.4
182.15361	4.6
182.96263	0.3
183.15587	1.1
185.06023	0.3
187.07442	0.6
189.09142	0.4
195.08035	1.1
197.05861	1.2
200.04619	1.4
203.06874	0.6
209.16504	2.2
210.14891	4.4
210.16785	0.6
211.15198	0.6
213.09023	0.4
215.07025	2.3
227.17436	0.5
228.15892	0.4
241.08487	0.3
245.18391	0.4
259.09607	2.8
325.09140	4.7
400.18912	0.3
453.34106	0.4
471.35358	8.2
472.35629	6.2
497.44351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02930	1.9
53.03921	4.2
55.01861	13.7
55.05497	16.3
55.05736	2.0
57.03421	14.9
61.02917	5.0
61.62154	2.1
65.03919	2.8
67.05486	24.9
69.03415	12.8
69.07059	4.6
79.05470	47.4
81.03415	22.2
81.07041	24.1
83.04976	10.7
83.24413	3.5
85.02902	12.0
91.05468	77.9
91.80074	2.6
92.09343	7.7
93.07029	38.3
95.04945	14.5
95.08575	17.1
97.02859	16.0
97.06509	5.3
103.05447	5.7
105.07019	77.7
105.26522	2.6
107.04931	26.3
107.08576	8.8
109.06519	5.5
111.08067	3.2
115.05441	22.7
117.06997	35.6
119.04926	29.9
119.08556	29.8
121.06496	17.6
121.10110	24.1
123.08011	9.8
128.06192	20.3
129.05501	3.9
129.06987	100.0
130.07748	2.5
131.04919	5.2
131.08549	24.6
133.06467	42.0
133.10146	5.1
135.08078	8.8
137.05940	3.5
141.06976	10.7
142.07794	3.7
143.08543	43.2
145.06499	3.8
145.10094	9.4
149.09596	3.8
151.07516	3.3
153.06960	10.6
155.08534	44.8
156.09340	4.4
157.06476	16.4
157.10144	26.3
161.09563	4.9
163.03848	4.0
165.06981	5.1
166.07744	16.2
169.08647	3.3
169.10071	10.1
171.11646	52.1
173.09578	5.3
181.10077	28.8
187.11020	3.1
189.12726	11.7
199.11166	36.2
217.04910	3.2
217.12225	19.8
218.53310	2.8
223.13321	4.7
241.78177	2.3
291.15872	76.5
309.16998	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50799	8.6
54.94503	10.2
55.05510	15.8
67.05500	26.5
69.07059	55.1
79.05487	19.4
81.07041	96.1
89.78481	10.0
91.05470	11.9
92.09328	24.2
93.07013	49.3
95.04963	14.3
95.08606	100.0
105.07021	56.5
107.08592	54.7
107.75855	10.4
109.10153	62.6
110.17039	10.0
112.83675	10.7
119.08586	43.6
121.10155	28.4
121.95393	11.2
129.07057	17.1
131.08568	14.1
133.10120	44.1
135.08064	15.3
135.11726	26.0
137.13287	14.5
143.08492	13.5
149.13263	17.6
155.64207	12.7
159.08096	13.8
159.11668	12.6
161.13205	10.8
163.14893	12.5
175.14751	16.9
203.96806	11.4
209.49944	10.2
290.97113	13.0
453.33853	51.0
471.34885	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05503	1.8
56.96555	2.5
59.25783	1.6
65.55485	1.4
66.93634	1.2
67.05502	1.4
69.03426	2.1
69.07050	10.4
79.01516	1.4
79.05474	2.9
81.07047	9.5
83.08591	1.5
85.02888	3.8
93.06997	5.6
95.04953	2.7
95.08610	3.7
97.06522	7.4
98.97561	1.8
105.07038	3.2
107.04955	8.0
107.08576	2.7
110.90842	1.7
123.04511	2.4
125.05508	1.8
127.03920	2.4
159.11598	1.7
163.03862	12.9
165.09131	2.3
187.07622	2.2
203.05521	1.9
215.07150	2.7
259.09683	7.4
333.07913	42.7
335.09433	38.2
471.21933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05503	1.8
56.96555	2.5
59.25783	1.6
65.55485	1.4
66.93634	1.2
67.05502	1.4
69.03426	2.1
69.07050	10.4
79.01516	1.4
79.05474	2.9
81.07047	9.5
83.08591	1.5
85.02888	3.8
93.06997	5.6
95.04953	2.7
95.08610	3.7
97.06522	7.4
98.97561	1.8
105.07038	3.2
107.04955	8.0
107.08576	2.7
110.90842	1.7
123.04511	2.4
125.05508	1.8
127.03920	2.4
159.11598	1.7
163.03862	12.9
165.09131	2.3
187.07622	2.2
203.05521	1.9
215.07150	2.7
259.09683	7.4
333.07913	42.7
335.09433	38.2
471.21933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
55.41190	1.1
56.96548	1.4
57.94912	1.2
63.08467	1.5
67.05504	2.5
69.03437	3.1
69.07048	8.4
75.59751	1.5
79.05470	2.4
81.07046	2.8
82.63560	1.4
85.02902	3.3
93.07007	2.4
94.48666	1.3
95.08594	5.7
97.02853	1.6
97.06510	6.4
98.97586	2.0
105.07021	2.0
107.04941	10.0
119.08583	2.8
123.04430	2.9
127.03843	1.9
145.02777	1.7
163.03873	11.4
174.02687	1.7
204.33171	1.5
215.07027	2.9
253.32133	1.6
255.06267	2.0
259.09677	5.9
291.10260	1.6
333.07837	45.9
335.09418	28.6
361.05444	1.7
471.21945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.80627	0.9
54.81381	1.3
55.01880	2.2
55.05514	1.1
55.36254	1.0
57.03431	6.5
57.07085	0.9
61.02914	1.8
67.05496	6.0
69.03422	24.7
69.07084	1.1
71.04977	5.0
73.02910	4.6
79.05489	5.9
81.03408	19.0
81.07061	2.6
83.04967	2.5
83.08604	1.0
85.02889	67.7
85.06539	4.7
87.00816	7.0
87.04473	1.3
91.05473	6.2
93.07031	16.8
95.04955	2.8
95.08594	6.8
96.68884	1.1
97.02882	9.5
97.06543	1.9
99.04465	8.1
100.11213	2.1
105.01860	4.1
105.07029	11.4
107.04944	1.4
107.08595	13.0
109.02860	13.4
109.06503	1.4
109.10168	7.4
111.04412	1.9
116.98625	1.8
117.01864	1.1
117.07004	2.4
119.08566	20.2
121.06517	5.4
121.10135	20.1
123.08126	1.6
124.08743	1.1
127.03892	18.5
130.07799	1.5
131.08498	3.9
133.10126	2.6
135.08058	7.0
135.11729	4.8
137.06027	1.8
137.09601	26.4
144.09401	2.7
145.05052	1.7
145.10094	10.3
147.08049	5.6
149.05864	1.9
149.09583	5.5
151.07500	1.8
153.09097	5.0
159.02937	1.5
159.11710	9.3
161.09665	6.0
163.03891	2.6
163.11142	19.8
165.09097	6.4
172.08812	1.7
175.07489	2.7
175.11308	1.4
177.12775	7.0
179.10652	14.7
187.11101	2.8
190.09895	7.9
197.16840	1.2
205.12216	68.7
215.07115	5.2
223.13257	100.0
259.09497	1.5
261.08929	1.2
273.18491	1.2
427.19577	4.8
471.18539	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	470.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83207	1.7
57.07059	1.9
67.05489	4.7
69.07063	8.6
70.74654	2.0
79.05492	2.9
81.07040	13.4
83.08585	4.2
91.05443	2.0
93.07037	10.9
95.08595	31.7
105.06997	3.0
107.08575	23.3
109.10147	23.1
119.08591	5.0
121.10114	26.3
123.11684	3.4
133.10124	3.8
135.08043	9.7
135.11667	29.9
137.13173	3.3
149.09544	3.7
149.13243	13.0
163.07524	8.8
163.14760	10.8
165.09076	2.5
177.16315	3.2
187.14792	2.3
191.17921	100.0
205.15866	9.6
233.15286	36.7
251.16405	4.1
281.31412	2.2
285.66760	2.0
315.23251	3.3
325.84888	2.0
439.35669	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.80627	0.9
54.81381	1.3
55.01880	2.2
55.05514	1.1
55.36254	1.0
57.03431	6.5
57.07085	0.9
61.02914	1.8
67.05496	6.0
69.03422	24.7
69.07084	1.1
71.04977	5.0
73.02910	4.6
79.05489	5.9
81.03408	19.0
81.07061	2.6
83.04967	2.5
83.08604	1.0
85.02889	67.7
85.06539	4.7
87.00816	7.0
87.04473	1.3
91.05473	6.2
93.07031	16.8
95.04955	2.8
95.08594	6.8
96.68884	1.1
97.02882	9.5
97.06543	1.9
99.04465	8.1
100.11213	2.1
105.01860	4.1
105.07029	11.4
107.04944	1.4
107.08595	13.0
109.02860	13.4
109.06503	1.4
109.10168	7.4
111.04412	1.9
116.98625	1.8
117.01864	1.1
117.07004	2.4
119.08566	20.2
121.06517	5.4
121.10135	20.1
123.08126	1.6
124.08743	1.1
127.03892	18.5
130.07799	1.5
131.08498	3.9
133.10126	2.6
135.08058	7.0
135.11729	4.8
137.06027	1.8
137.09601	26.4
144.09401	2.7
145.05052	1.7
145.10094	10.3
147.08049	5.6
149.05864	1.9
149.09583	5.5
151.07500	1.8
153.09097	5.0
159.02937	1.5
159.11710	9.3
161.09665	6.0
163.03891	2.6
163.11142	19.8
165.09097	6.4
172.08812	1.7
175.07489	2.7
175.11308	1.4
177.12775	7.0
179.10652	14.7
187.11101	2.8
190.09895	7.9
197.16840	1.2
205.12216	68.7
215.07115	5.2
223.13257	100.0
259.09497	1.5
261.08929	1.2
273.18491	1.2
427.19577	4.8
471.18539	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	470.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20008	0.3
53.03935	0.7
53.75943	0.3
55.01867	0.8
57.03429	0.6
61.02919	0.6
61.77920	0.3
67.05520	0.3
69.03413	3.7
73.02901	0.6
79.05467	0.5
81.03395	4.8
81.07038	0.8
85.02884	6.5
87.00803	3.2
89.60919	0.3
91.05509	0.4
92.28732	0.3
93.07022	0.5
95.04935	0.6
95.63779	0.3
97.02866	5.3
99.04406	0.4
100.22939	0.3
104.82893	0.3
105.01842	0.6
105.07093	0.4
107.08614	0.5
107.79686	0.3
109.02863	2.3
109.10133	0.5
113.56636	0.3
117.07085	0.4
120.08083	7.8
121.10160	0.5
127.03915	2.5
130.06502	85.7
132.04422	14.2
133.02838	0.8
133.10094	0.7
135.04437	0.5
137.02347	0.8
145.04941	0.7
148.07545	34.5
151.11156	0.5
158.05986	34.2
159.02879	1.9
163.03860	4.9
164.04314	0.3
167.10696	0.3
169.12279	0.4
170.10661	0.4
176.07031	100.0
201.09222	0.6
204.06468	1.4
222.07568	47.6
229.08452	0.5
356.60724	0.4
386.09552	0.4
470.13422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.74438	0.3
55.01866	0.7
57.03423	0.7
57.23198	0.3
58.01819	0.4
68.99738	0.4
69.03423	3.7
69.03738	0.5
71.04988	0.5
73.02895	0.7
81.03403	4.4
81.07030	0.5
85.02892	7.5
87.00823	3.0
95.04975	0.5
97.02885	4.8
99.04424	1.5
102.77987	0.4
105.01840	0.4
105.07030	0.4
107.08591	0.5
109.02213	0.4
109.02858	3.0
109.10105	0.5
117.03293	0.4
120.08080	7.1
120.90944	0.4
121.10055	0.4
127.03870	3.1
130.06506	92.7
132.04424	13.9
133.02812	0.7
133.10159	0.4
135.04381	0.5
137.02287	1.9
145.02820	0.7
145.04950	0.6
146.06017	0.6
148.07556	33.3
158.05992	36.8
159.02861	0.7
163.03882	4.4
169.12134	0.5
176.07039	100.0
204.06516	1.5
222.07582	54.0
445.27805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
55.59380	2.2
65.50001	2.2
67.05498	4.1
69.07050	13.6
70.80083	2.5
72.94008	2.4
79.05478	3.9
79.35384	2.3
81.07038	14.8
93.07039	11.0
95.08588	54.6
97.10161	2.8
105.07025	3.0
107.08575	26.6
109.10136	20.6
117.43781	2.4
119.08611	4.1
121.10117	40.8
123.11637	6.4
125.50890	2.7
130.22672	3.0
131.08533	4.5
132.37515	2.3
133.10077	3.4
135.08026	5.3
135.11667	11.1
137.13271	3.1
145.10065	4.2
149.13313	2.4
163.07497	4.8
163.14810	16.4
173.13289	3.0
177.16382	11.5
191.17914	25.0
202.32182	3.3
205.15871	11.4
215.36588	2.7
219.17392	4.8
233.15300	27.2
271.16299	3.1
315.19635	4.6
351.26794	3.4
383.25613	4.2
407.33011	24.9
411.32727	3.8
425.34094	100.0
453.33572	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.2
56.66677	5.3
57.07061	38.2
67.05489	100.0
68.28983	4.9
69.07037	5.5
71.08614	30.6
74.72257	4.6
75.64304	4.8
80.24501	4.5
81.07025	33.9
85.10146	6.7
91.05434	7.2
95.08565	20.9
102.43364	6.9
109.10155	69.2
111.08129	6.4
173.11665	11.0
215.93909	5.0
404.24765	5.8
467.37253	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13401	0.1
58.67106	0.1
63.86751	0.1
67.84032	0.1
72.62213	0.1
79.05477	0.7
83.50855	0.1
85.02895	0.2
89.03921	0.1
89.98668	0.1
91.05453	0.3
93.07027	1.2
95.04928	0.2
96.78934	0.2
103.05453	6.0
105.06949	0.1
107.04939	2.2
109.02862	0.1
120.08087	100.0
120.93552	0.1
121.08418	0.7
123.04395	0.2
128.69189	0.1
131.04901	2.6
135.04327	0.2
149.05954	1.2
162.69727	0.1
163.03914	0.8
166.08611	25.5
325.19156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01877	0.8
57.03438	1.1
67.05483	1.6
69.03410	1.5
76.46040	0.7
76.55853	0.7
79.05488	1.2
81.03391	1.3
81.07049	1.5
85.02902	5.2
91.05428	0.8
93.07024	1.1
95.04914	0.7
95.08590	0.8
96.58967	0.7
97.02866	3.1
99.04419	1.6
105.07043	1.0
107.08597	1.7
109.06533	0.7
109.10143	1.2
112.65176	0.7
117.46590	0.8
121.10113	4.0
122.10497	0.8
127.03875	1.1
129.45773	0.8
137.02321	1.0
149.09601	1.3
163.03908	3.2
167.10695	2.8
181.82574	0.8
185.11769	1.0
185.13243	0.8
250.96722	0.8
306.14612	0.8
437.10464	78.3
469.13116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
53.99058	2.3
55.01857	7.3
55.05497	20.9
57.03419	7.4
57.19542	2.6
65.34953	3.1
67.05491	25.5
68.99767	5.7
69.03419	35.6
69.07051	44.5
71.04969	13.7
71.85065	2.8
73.02895	3.2
78.78928	3.2
79.05486	26.9
81.03415	22.7
81.07037	54.6
83.04964	7.5
83.08592	5.7
85.02886	30.1
87.00811	18.1
91.05453	20.9
93.07019	26.7
95.04939	15.8
95.08584	39.5
97.02871	14.7
97.06513	100.0
98.06844	2.8
105.07015	48.3
107.04931	4.4
107.08582	39.0
109.02879	14.1
109.06557	3.5
109.10169	32.8
117.03356	5.0
117.07065	5.5
119.08569	39.3
121.10118	27.4
123.11690	7.2
127.03899	14.5
129.01755	3.2
129.06949	4.7
131.08551	7.8
133.10127	20.1
135.04372	16.7
135.11671	20.3
142.07718	3.5
143.08560	6.5
145.02846	20.9
145.10123	23.0
147.04378	5.5
147.11642	23.6
149.02228	4.1
149.09547	3.3
149.13297	5.4
157.10063	13.3
159.04385	3.2
159.11687	18.1
161.02315	18.7
161.13275	7.1
163.03862	79.7
164.04134	5.1
171.11703	5.7
173.02327	55.5
174.02711	4.3
189.16475	4.2
201.16478	3.9
203.17979	13.0
215.07018	66.5
221.18976	5.2
225.12698	4.1
242.14841	3.1
259.09604	86.4
260.09940	11.6
275.39035	3.5
277.10699	42.0
311.20108	6.7
329.21024	5.4
415.21057	5.1
451.22989	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	467.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81958	1.3
55.01858	3.1
55.05263	1.7
55.05504	22.5
55.50743	1.1
56.45243	1.1
57.07057	5.3
58.04190	1.4
61.02911	1.3
65.14397	1.3
66.98206	1.3
67.05490	77.8
69.03404	5.6
69.07052	28.2
71.04972	11.3
73.02895	1.8
74.97333	1.2
76.15741	1.2
79.05466	21.1
81.03410	3.2
81.07034	95.2
83.04961	3.1
83.08604	20.4
85.02880	10.7
85.06542	12.8
89.06015	13.4
91.05458	11.2
93.07022	31.5
95.04935	1.3
95.08583	100.0
97.02847	2.8
97.06492	8.6
97.10158	14.3
97.54869	1.3
99.04459	1.4
99.08058	6.4
99.59878	1.2
105.06996	8.6
107.08586	25.1
109.06522	2.0
109.10138	72.7
111.08034	5.0
111.11733	1.5
117.06967	2.9
119.08557	8.3
121.10117	34.6
123.08032	2.1
123.11684	14.4
125.09625	1.6
131.08560	9.1
133.08577	2.4
133.10104	18.7
135.08031	2.2
135.11656	26.8
137.09599	3.1
137.13223	2.4
144.70200	1.4
145.10101	10.3
147.04364	2.0
147.11676	7.5
149.13223	8.0
149.14343	1.2
151.11201	6.3
159.11661	9.0
163.03851	5.5
163.11168	2.3
173.11783	2.5
173.13217	7.3
177.12694	2.4
189.07680	1.8
190.06091	1.6
191.17902	21.5
195.13748	1.8
209.18999	14.2
213.68112	1.4
215.17897	16.6
233.18864	13.3
250.01802	1.4
251.20000	49.4
269.21057	62.5
287.22101	14.5
305.23190	11.2
411.07083	1.5
433.55969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04104	1.0
53.03952	1.4
53.41678	1.1
55.01860	2.0
55.05502	20.9
57.03437	1.7
57.07061	3.1
61.02905	1.4
64.27307	1.2
66.52187	1.2
67.05494	59.8
69.03426	2.5
69.07058	22.2
69.43994	1.1
71.04975	11.0
71.89333	1.0
79.05479	23.1
81.03401	1.6
81.07040	84.8
83.04966	2.9
83.08611	12.9
85.02882	10.8
85.06529	8.7
91.05452	10.4
93.07025	33.9
95.08586	100.0
97.02894	2.6
97.06526	8.0
97.10128	10.3
105.07025	7.4
107.08586	27.0
109.06529	2.4
109.10145	70.4
111.08052	2.3
111.11712	2.4
117.06979	2.9
118.07366	1.5
119.08550	9.2
121.10123	39.6
123.08044	3.0
123.11673	19.4
125.05977	1.6
125.09595	1.6
127.03909	1.4
127.07561	1.5
131.08537	5.1
133.10112	17.9
135.11667	33.5
137.09592	5.3
137.13240	2.7
139.07516	2.9
145.08485	1.6
145.10101	7.1
147.11678	5.8
149.09641	4.7
149.13249	13.0
151.11115	2.5
159.11684	2.9
161.13266	1.5
163.03896	2.6
163.11150	1.7
167.10645	1.5
173.13255	5.3
181.12239	2.6
189.16298	2.1
191.17923	45.4
195.13765	2.3
209.18983	44.8
209.20850	2.3
214.08588	7.5
215.08899	9.3
215.17937	22.0
233.18951	13.9
249.11314	1.7
251.20020	33.2
268.13147	1.9
269.13641	8.6
269.21014	35.3
286.14429	6.5
287.14673	14.7
287.22089	16.9
305.23209	6.7
449.19821	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	467.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81958	1.3
55.01858	3.1
55.05263	1.7
55.05504	22.5
55.50743	1.1
56.45243	1.1
57.07057	5.3
58.04190	1.4
61.02911	1.3
65.14397	1.3
66.98206	1.3
67.05490	77.8
69.03404	5.6
69.07052	28.2
71.04972	11.3
73.02895	1.8
74.97333	1.2
76.15741	1.2
79.05466	21.1
81.03410	3.2
81.07034	95.2
83.04961	3.1
83.08604	20.4
85.02880	10.7
85.06542	12.8
89.06015	13.4
91.05458	11.2
93.07022	31.5
95.04935	1.3
95.08583	100.0
97.02847	2.8
97.06492	8.6
97.10158	14.3
97.54869	1.3
99.04459	1.4
99.08058	6.4
99.59878	1.2
105.06996	8.6
107.08586	25.1
109.06522	2.0
109.10138	72.7
111.08034	5.0
111.11733	1.5
117.06967	2.9
119.08557	8.3
121.10117	34.6
123.08032	2.1
123.11684	14.4
125.09625	1.6
131.08560	9.1
133.08577	2.4
133.10104	18.7
135.08031	2.2
135.11656	26.8
137.09599	3.1
137.13223	2.4
144.70200	1.4
145.10101	10.3
147.04364	2.0
147.11676	7.5
149.13223	8.0
149.14343	1.2
151.11201	6.3
159.11661	9.0
163.03851	5.5
163.11168	2.3
173.11783	2.5
173.13217	7.3
177.12694	2.4
189.07680	1.8
190.06091	1.6
191.17902	21.5
195.13748	1.8
209.18999	14.2
213.68112	1.4
215.17897	16.6
233.18864	13.3
250.01802	1.4
251.20000	49.4
269.21057	62.5
287.22101	14.5
305.23190	11.2
411.07083	1.5
433.55969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67184	7.1
52.90098	6.4
57.07062	40.0
57.35822	6.1
63.28335	6.2
71.08608	38.8
85.10155	28.1
89.06003	100.0
89.78381	8.7
133.08563	33.3
239.14900	29.4
246.07712	7.0
382.21152	7.6
430.53079	7.6
449.38217	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	467.1182
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.03948	0.5
54.09719	0.2
55.00964	0.2
55.01869	2.4
57.03431	2.5
60.82170	0.3
61.02926	0.4
64.73548	0.3
65.03907	0.3
68.99774	12.2
69.03407	1.9
71.01303	0.3
75.14525	0.2
77.75816	0.3
79.05460	0.5
81.03408	4.9
81.07020	0.4
83.04971	1.3
85.02891	10.0
87.00790	0.4
89.03895	0.3
91.05447	0.6
93.07011	0.3
95.04970	2.1
97.02868	2.3
97.06474	0.5
100.32435	0.3
103.03880	0.6
105.01847	0.3
105.03389	4.7
105.07006	0.7
105.70497	0.3
106.03651	0.6
107.01290	0.6
107.04924	0.6
107.08597	0.5
109.02856	3.3
109.06503	0.6
111.00771	0.4
111.04427	3.1
113.05986	0.3
119.04927	0.3
119.08517	0.4
121.02842	2.6
121.06460	0.3
121.10133	1.1
123.04399	6.5
123.08064	0.3
125.02332	1.2
125.92168	0.3
127.03895	3.8
133.06403	0.3
135.04387	3.1
137.02322	100.0
138.02644	1.6
139.02885	0.9
139.03889	4.1
145.04927	0.5
145.10268	0.3
147.04364	1.8
149.02348	1.2
149.06015	0.5
151.03873	5.5
153.01805	9.9
153.05472	0.5
163.03883	6.5
165.00281	0.5
165.01804	11.1
165.05438	0.7
167.03371	0.7
169.05035	0.4
171.02853	1.4
175.03845	0.7
177.01797	7.5
177.05429	1.3
179.03365	10.9
183.02849	8.7
189.01877	0.6
189.05489	0.7
191.03351	9.7
192.99525	0.4
193.04951	4.5
195.02853	19.7
203.03424	0.7
205.04918	8.5
207.02864	0.6
209.04343	0.5
213.03723	0.6
215.03397	1.1
217.04988	2.1
219.02844	14.3
229.03081	0.5
231.02800	3.8
233.04410	0.7
235.05991	1.5
237.03860	0.4
243.02827	0.4
247.06061	0.6
249.03923	4.7
253.07135	0.5
260.37521	0.4
261.03876	6.3
262.04730	0.3
266.97443	0.3
267.08606	0.5
268.09219	0.3
269.02582	0.7
279.04910	2.4
287.03339	0.5
297.05954	6.4
299.05417	5.7
301.08130	0.4
311.05423	5.5
317.06509	0.4
325.06903	0.3
329.06516	8.6
347.07465	1.2
353.06488	1.8
371.07465	2.4
383.07489	4.0
395.07370	1.2
413.08411	2.6
431.09628	2.6
449.10571	2.3
467.11670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25327	3.5
55.01870	6.3
55.05502	38.9
57.03433	7.8
61.02914	5.2
67.05497	81.5
69.03416	4.9
69.07056	27.7
79.05481	36.2
81.07041	100.0
83.04971	5.8
83.08595	25.3
85.02889	32.2
91.05466	9.8
93.07026	43.2
95.08579	66.9
97.02860	7.9
97.06515	32.5
97.10154	26.5
105.07014	10.8
107.08574	43.0
107.62164	4.3
109.10148	62.8
111.08122	7.2
111.60103	4.3
117.06971	6.2
119.08604	6.9
121.10149	17.7
123.11684	24.5
125.09631	23.7
131.08577	9.5
133.10126	24.9
135.11670	17.5
145.10129	4.9
149.13235	8.8
151.11205	6.9
153.05495	8.0
159.11664	22.9
173.13275	5.9
177.12762	20.2
195.13831	5.2
205.19481	4.9
215.17917	9.0
233.19016	18.0
251.19977	54.1
269.13123	5.0
269.17682	48.8
269.21005	79.0
270.21384	6.1
287.22162	34.1
358.64282	4.6
377.11246	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	466.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41694	2.9
55.05500	31.6
57.07075	35.9
60.73877	3.3
67.05480	19.3
68.12053	3.2
69.07063	57.7
71.08612	18.2
79.05473	14.8
81.07034	65.8
83.04996	4.5
83.08586	15.7
85.06522	5.0
85.10152	18.0
91.05466	13.8
92.08627	7.0
93.07018	38.4
94.45355	3.1
95.08581	77.2
97.06496	14.7
97.10136	19.6
98.88136	3.7
105.07007	33.8
107.08553	56.5
109.10133	37.2
111.04395	3.6
111.11711	5.6
117.06980	13.6
119.08574	37.9
121.10118	33.1
121.46436	3.3
123.11666	17.5
126.87562	3.2
130.10782	3.2
131.08545	31.3
133.10086	30.9
134.61171	3.5
135.08061	3.3
135.11636	24.3
143.07002	14.6
143.08575	4.8
145.10098	24.6
147.11650	22.9
149.13226	18.3
157.10049	15.8
159.07973	4.7
159.11679	18.3
161.13272	13.6
163.14813	8.3
165.08989	4.1
171.11626	7.0
173.13220	14.2
175.14799	3.9
177.09085	16.3
179.10638	8.1
185.13210	7.9
187.14751	13.0
189.16391	5.4
191.10614	6.5
199.14775	5.5
203.17868	3.8
213.16353	7.2
273.18533	6.8
327.30313	16.7
329.31927	17.6
343.33774	4.1
353.31870	4.6
371.32935	6.1
413.34036	37.2
431.35147	100.0
449.36249	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67123	0.1
50.79935	0.1
51.19487	0.1
53.00295	0.1
53.03928	1.0
53.99038	0.1
55.01863	1.8
55.05494	0.6
57.03427	4.1
57.07070	2.3
59.04985	0.2
61.02911	2.8
65.03916	0.3
67.05492	3.6
69.03412	7.2
69.07054	3.5
71.01332	0.5
71.02836	0.1
71.04973	0.2
73.02898	11.6
79.05474	6.4
79.05946	0.2
81.03407	1.7
81.07037	100.0
83.05000	0.1
85.02887	17.8
87.04459	0.5
89.71528	0.1
91.03935	0.7
91.05460	0.5
93.07018	1.1
95.04965	0.2
95.08583	18.2
97.02869	12.0
97.06516	0.1
99.04410	0.9
101.02417	0.1
103.03925	0.8
105.07001	0.2
107.08558	0.3
107.63971	0.1
109.02867	2.0
109.10151	1.2
114.19236	0.1
115.03908	4.6
121.39913	0.1
125.24731	0.1
127.03888	5.0
127.04802	0.2
131.08534	0.2
133.04938	5.4
135.11667	0.2
137.13226	14.5
144.06538	0.2
145.04929	5.4
149.13264	0.2
150.07649	0.2
154.15900	0.3
159.11682	0.1
163.05965	3.0
193.05009	0.3
198.09692	0.2
217.07007	0.6
223.06000	1.1
233.39572	0.1
241.06999	1.7
243.14928	0.2
259.08093	2.6
269.17511	0.9
269.21338	0.2
277.09204	0.5
282.39328	0.2
295.10199	2.2
318.01199	0.1
322.81674	0.2
330.13763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01854	1.8
55.05267	0.4
55.05505	6.4
57.03427	9.8
57.07059	2.2
61.02917	5.6
65.03909	0.5
66.20030	0.4
67.05493	34.6
67.71217	0.4
69.03400	2.5
69.07056	13.5
71.04978	3.1
73.02906	3.0
78.41099	0.4
79.05470	16.9
79.84064	0.4
81.03391	2.2
81.07038	53.2
82.07340	0.4
83.04954	4.8
83.08600	9.1
85.02890	7.6
85.06525	2.6
86.54833	0.4
87.04453	0.5
91.03928	2.0
91.04504	0.4
91.05463	8.5
93.07023	36.0
95.04925	1.8
95.08584	16.4
97.02866	4.1
97.06499	7.3
97.10149	0.5
99.04453	0.7
99.08066	2.5
100.11214	0.5
105.07016	3.8
107.08576	22.1
107.09298	0.9
107.92688	0.4
109.06499	2.1
109.10135	3.1
111.08081	5.3
113.09564	0.6
115.03909	2.2
117.06990	5.5
119.08551	2.2
121.06467	0.8
121.10116	13.7
123.11646	1.7
127.03914	0.8
127.07459	0.5
131.08531	6.9
133.04982	0.6
133.10106	5.7
135.08032	0.9
135.11659	7.4
137.13220	2.5
139.11159	0.8
145.04912	0.6
147.11649	0.8
149.09622	0.5
149.13242	27.5
151.11163	0.4
159.11664	12.1
166.30646	0.4
177.12720	5.9
195.13763	8.8
213.14886	0.8
238.36377	0.5
245.83195	0.5
269.17422	100.0
270.17715	0.5
287.18466	1.0
287.21957	0.5
412.62976	0.4
463.88797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13107	1.2
54.81501	1.5
55.05497	7.4
57.07076	34.0
64.07467	1.3
64.11034	1.3
65.03934	10.7
65.10075	1.3
67.05477	1.6
71.04973	1.6
72.87004	1.3
83.04974	84.1
90.27013	1.2
91.05470	6.8
92.63734	1.3
93.70237	1.2
95.04985	1.3
98.98464	7.3
111.58992	1.5
136.22668	1.4
136.41771	1.4
141.06967	3.2
147.11703	6.7
149.65477	1.3
151.01538	13.7
159.08061	2.0
161.20821	1.4
163.01511	6.9
175.01514	10.6
227.04625	5.5
239.46725	1.5
260.99200	2.9
337.02335	98.6
393.08585	100.0
449.14813	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	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98295	0.3
53.00318	0.4
53.03942	0.5
53.45944	0.3
53.83555	0.3
55.01859	1.6
55.05506	6.2
57.03431	16.4
57.07071	3.1
59.43488	0.3
61.02909	5.0
67.05494	33.7
69.03420	6.1
69.07057	15.9
71.01344	0.7
71.04987	2.5
71.08613	0.6
73.02899	8.9
79.05476	21.5
81.03412	2.0
81.07041	100.0
83.04955	3.6
83.08605	9.0
85.02892	11.1
85.06536	2.6
91.03948	1.9
91.05460	8.9
93.07022	33.6
95.04960	2.5
95.08588	23.6
97.02871	8.7
97.06499	8.2
97.10154	0.8
99.04446	0.4
99.08060	1.9
100.93243	0.3
105.04440	0.5
105.07008	3.1
107.07858	0.8
107.08578	19.7
109.02888	0.5
109.06519	1.6
109.10149	2.7
111.08073	4.5
111.11730	0.3
113.06000	0.4
114.06411	0.4
115.03912	4.0
117.06989	4.8
119.05717	0.4
119.08583	0.6
121.06465	0.7
121.10117	12.4
123.08031	0.4
123.11713	1.7
127.03886	2.5
131.08531	4.6
133.04997	0.5
133.10101	4.7
135.08035	1.7
135.11674	4.7
137.13223	9.1
139.11183	0.7
145.04985	2.1
147.11723	1.6
148.65602	0.4
149.13245	22.3
159.11662	10.3
163.05971	0.5
167.14404	0.6
173.19972	0.4
174.20421	0.4
177.12700	5.6
182.22142	0.4
187.26019	0.4
195.13748	5.8
213.14841	0.6
251.16486	0.5
269.17429	84.5
270.17822	0.4
283.51114	0.4
295.10324	1.6
295.94177	0.4
314.72894	0.4
323.77417	0.4
431.22736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
54.88363	0.2
55.82772	0.2
69.03415	1.0
70.62749	0.2
71.04971	0.4
76.17532	0.2
77.39961	0.2
79.05492	0.3
80.05003	19.0
81.03400	0.4
81.07039	1.3
85.02890	0.5
93.07023	0.4
95.08612	0.3
96.04474	0.4
96.08112	0.4
96.96890	0.2
97.02858	0.5
105.07006	0.3
107.08579	0.4
114.74167	0.2
119.04897	0.3
121.10122	1.4
124.07577	100.0
127.03908	0.3
147.04431	1.6
150.05455	0.3
167.72150	0.3
176.07092	0.3
178.04974	0.3
238.21295	0.2
258.11115	0.3
303.04916	0.9
304.05371	1.4
434.12354	0.3
446.15958	0.3
448.16147	0.5
466.17081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
57.03417	0.3
58.59352	0.2
58.62888	0.2
64.29137	0.2
69.03423	0.4
71.04974	0.3
79.05488	0.4
80.04998	18.5
81.07040	0.5
85.02890	1.0
86.27955	0.2
93.07005	0.4
94.06581	0.4
97.02876	0.3
105.07035	0.4
106.06524	0.3
107.08506	0.3
114.29309	0.2
114.51160	0.2
119.73694	0.2
121.10110	0.4
124.07571	100.0
125.07954	0.3
127.03915	0.3
137.02290	0.5
147.04381	1.1
148.45857	0.2
150.05534	0.3
163.03896	0.4
169.07083	0.3
196.88744	0.2
237.82487	0.2
251.16670	0.2
258.11230	0.4
286.12729	0.3
303.05145	0.4
304.05240	2.3
339.50101	0.2
448.15744	0.2
466.17068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
54.82011	0.6
55.05500	0.9
67.05504	3.6
69.03430	4.8
70.06573	0.7
73.27810	0.6
79.05471	1.1
81.03412	4.3
81.07058	2.8
82.06564	1.2
83.04987	1.5
85.02892	6.9
87.00830	1.3
91.05465	4.4
93.07036	0.9
94.06550	17.8
95.04960	1.2
95.08591	1.2
96.04472	28.6
97.02876	6.5
98.27924	0.8
99.04391	0.9
100.07649	0.8
105.07012	0.9
107.04919	0.6
107.08568	0.9
109.02847	1.4
109.10149	0.8
110.06037	3.3
112.07594	16.8
115.24422	0.7
119.04929	10.7
119.08602	1.0
121.10138	0.9
122.06012	33.9
123.08074	1.3
125.09624	0.7
125.53803	0.6
127.03880	1.2
128.07094	5.4
135.11740	0.8
135.91969	0.7
137.09578	1.0
140.07051	75.9
145.02858	0.7
145.04980	1.1
145.10063	0.7
147.04399	57.4
158.08105	100.0
159.08580	0.7
163.03879	4.0
165.05499	1.3
165.09111	1.0
170.11600	0.7
183.10181	1.5
183.13708	0.9
201.11139	1.0
295.46555	0.6
309.09573	7.2
404.35556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1393
Annotation	7-O-Methyleriodictyol 3'-O-glucoside
Peak:m/z	Relative Intensity
54.12165	0.3
55.01853	0.4
55.05492	0.6
61.02922	0.6
64.33293	0.4
67.05498	0.5
67.19730	0.4
69.03406	2.2
69.07053	0.5
73.04633	0.4
76.55981	0.4
77.85381	0.4
79.05486	0.8
81.03401	0.9
81.07036	1.0
85.02897	5.1
86.09661	0.4
91.05472	0.5
93.07027	0.5
94.04160	0.8
95.04931	0.5
95.08588	0.9
97.02882	1.6
97.06493	0.5
103.00847	0.4
107.08562	0.9
109.10135	0.4
119.08572	0.4
121.10099	1.8
122.03645	5.7
123.08095	0.6
123.11713	0.5
137.05959	100.0
138.06302	0.7
147.11656	0.5
163.03833	0.5
193.98268	0.4
212.97316	0.4
278.55453	0.4
285.12387	0.7
303.05154	1.6
303.08548	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.9
55.05268	1.8
55.05508	34.6
57.03430	17.1
57.07068	11.8
61.25203	1.2
63.21179	1.2
67.05483	8.8
69.07055	32.7
71.08613	7.4
73.02901	2.8
75.36469	1.4
79.05463	5.8
81.07041	11.7
83.08596	28.7
85.10140	2.1
93.07021	7.1
95.08572	8.7
97.06490	5.4
97.10149	17.7
98.98448	100.0
107.08589	5.6
109.10136	2.6
111.11681	2.9
116.99557	2.3
121.10130	6.8
135.11697	2.2
136.99989	3.3
144.75983	1.3
155.01031	52.5
158.50163	1.3
163.72327	1.5
210.18579	1.4
229.04701	1.6
237.22081	2.8
311.22256	2.7
311.25763	68.8
426.76019	1.5
447.24988	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68486	2.4
57.55776	2.0
64.05018	2.5
68.33872	2.6
97.07018	2.8
154.07195	2.9
166.63048	2.7
166.65182	3.4
178.98990	2.6
187.14774	2.6
197.79425	2.6
381.88080	3.5
437.30176	2.8
465.33356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3573
Annotation	Certonardosterol C2
Peak:m/z	Relative Intensity
52.03468	3.7
52.36343	3.7
55.05494	21.1
55.73000	4.6
57.07064	19.8
65.68289	4.4
67.05489	10.0
69.07041	26.9
71.08603	21.9
79.05444	6.8
81.07028	37.6
83.08586	10.4
85.10164	7.3
91.05473	6.3
93.07013	22.6
94.07945	4.5
95.08594	33.9
105.07018	19.8
107.04939	11.5
107.08572	25.5
109.06549	6.2
109.10139	9.5
117.06969	5.9
119.08588	21.4
123.11700	5.4
129.06967	6.2
131.08533	8.9
133.10107	24.3
135.07985	5.2
135.11697	5.9
145.10126	20.1
147.11684	5.9
155.08620	6.6
157.10095	6.0
159.11673	8.2
161.13158	8.3
171.08061	8.3
171.11655	8.3
185.13304	6.2
189.09076	5.6
201.16388	6.7
226.97684	4.8
258.19272	4.8
287.27353	9.0
344.61523	5.2
387.32254	5.5
411.32468	30.8
429.33600	100.0
447.34467	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	464.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32513	0.2
63.07859	0.2
63.43467	0.2
64.33929	0.2
67.05458	0.4
72.75699	0.3
79.05453	0.4
81.07045	0.3
83.04956	0.4
85.02888	0.4
87.00786	0.3
91.05424	1.1
95.04932	0.3
96.08098	0.6
97.02877	0.4
105.03336	0.5
105.07041	0.9
109.02820	0.4
109.06438	0.2
115.05389	0.5
117.06235	0.4
117.06996	9.7
119.08556	5.0
121.02807	0.3
123.69614	0.3
124.07561	0.5
126.79752	0.2
127.03886	0.4
129.06975	0.5
131.08516	1.3
136.07550	0.4
137.02298	0.5
138.05518	0.3
139.25505	0.3
143.08546	2.2
145.06425	1.6
145.09021	0.4
145.10100	3.3
147.04364	0.5
147.08015	1.3
155.08501	4.1
157.10048	0.6
159.07834	0.3
160.11195	0.4
160.41100	0.3
173.05931	6.1
173.08286	0.3
173.09615	0.4
181.10068	0.6
182.10913	0.4
183.11635	1.3
186.08870	0.3
188.10638	1.4
192.09273	0.4
195.11768	0.4
197.13251	3.0
200.10643	0.4
207.11790	0.9
214.15945	0.4
216.10158	78.0
217.10518	0.5
225.12714	2.2
228.10139	0.6
242.15381	0.4
243.08749	0.6
252.13716	0.4
253.12146	5.1
270.14819	39.7
271.15088	0.4
302.17438	100.0
303.17838	1.8
313.17477	0.3
435.97702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.00304	0.1
53.03720	0.1
53.03937	1.0
55.01873	0.9
57.03429	1.4
59.04985	0.1
59.11241	0.1
61.02914	2.5
63.81779	0.1
65.03931	0.2
66.63496	0.1
67.01846	0.2
67.05505	0.1
67.35273	0.1
68.99770	1.3
69.03414	5.4
71.04977	0.7
73.02903	0.6
75.65920	0.1
77.53609	0.1
81.03397	2.4
83.01328	0.3
85.02889	12.9
87.04449	0.4
91.03930	0.7
92.08664	0.2
93.03392	0.4
95.04935	0.4
97.02874	4.4
99.04420	0.6
109.02869	2.6
111.00785	1.8
111.04424	0.2
121.02835	1.9
123.04421	0.4
127.03869	1.6
131.04916	0.2
133.06503	0.1
135.04390	0.2
137.02316	6.4
137.03363	0.4
145.04912	1.2
145.06563	0.3
147.91396	0.1
149.01218	0.1
149.02315	0.7
153.01802	7.0
155.04890	0.5
161.05930	0.6
163.03857	1.1
163.93016	0.1
165.01811	3.5
165.03200	0.1
166.02586	0.4
173.05949	1.0
177.05505	0.2
179.03337	0.2
183.02858	1.6
183.04387	0.5
185.05858	0.1
187.03894	0.7
191.03299	0.2
191.06978	0.1
195.02892	0.5
201.05428	3.5
205.04956	0.1
207.02769	0.1
211.03764	0.2
213.05327	0.2
215.03458	0.2
219.02841	0.2
219.06422	0.5
228.04057	0.2
229.04927	8.2
233.04366	0.1
239.03569	0.1
247.05965	1.3
257.04388	4.6
274.04626	1.1
285.03845	2.1
298.19763	0.1
303.04929	100.0
304.05310	1.1
441.71445	0.1
467.14948	0.1
475.23093	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	463.3779
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.77817	3.1
53.03925	3.2
54.19172	2.9
55.05492	18.0
57.07062	36.4
59.01294	3.3
62.45670	3.4
67.05486	6.1
68.38620	3.1
69.07056	33.2
71.08623	30.4
75.73741	3.0
81.07017	21.8
82.18082	3.5
83.08587	14.1
85.10153	17.2
90.52772	3.4
93.07023	5.9
95.08582	18.5
97.10108	7.2
107.08607	6.0
109.06507	16.6
109.10132	8.6
111.11745	5.8
119.08527	5.5
123.08090	5.7
125.05977	16.6
127.07533	25.3
129.12686	3.3
137.06009	4.3
137.09648	4.0
139.06494	6.9
139.07512	100.0
139.08501	6.7
151.07509	9.2
159.08752	3.5
177.09116	9.2
277.48419	4.6
319.29922	4.7
325.83871	4.8
403.01620	3.7
417.37097	6.8
445.36612	46.3
463.37848	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	MART-10
Peak:m/z	Relative Intensity
50.50405	7.0
54.46089	7.1
55.05510	12.8
57.07070	16.6
67.05507	16.9
67.17480	7.9
69.07051	53.0
71.08598	11.1
74.98290	8.8
77.45270	7.4
81.07040	54.0
82.92077	8.7
83.08601	9.5
93.07039	17.6
95.08605	20.6
105.07054	8.7
107.08582	46.7
109.10133	20.8
115.03880	10.0
117.06945	9.9
119.08540	13.0
121.10088	12.4
123.11656	10.1
131.08548	14.4
133.10097	20.5
137.37315	11.0
145.10103	42.5
147.11668	18.2
155.07095	15.1
159.11662	20.7
161.13252	11.4
165.09122	81.8
169.08531	10.6
173.13251	13.9
185.13254	9.4
345.33026	9.7
394.82623	9.3
427.35818	11.8
427.82901	9.3
445.36694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.75200	0.1
55.01865	0.2
55.05502	1.2
57.03433	0.2
57.24150	0.1
60.50948	0.1
65.03925	0.2
67.45441	0.1
69.03423	3.4
70.75743	0.2
71.01315	0.2
71.04981	0.2
81.03404	3.9
83.04965	8.1
85.02886	1.3
85.06539	0.2
88.65101	0.2
93.03384	0.8
97.02876	2.2
99.04446	1.1
108.52104	0.1
109.02841	1.6
111.04434	2.7
113.06042	0.2
115.07545	0.3
119.08580	0.2
127.03899	2.1
137.02322	100.0
138.02638	0.3
155.03357	4.1
167.30031	0.2
207.06618	0.3
225.07397	0.2
276.58981	0.2
281.06488	2.8
299.07565	8.2
379.10229	0.3
397.11182	0.6
455.69226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
57.07064	0.3
59.28282	0.2
59.76282	0.2
67.05493	3.3
69.07044	1.2
79.05491	0.3
81.07046	3.8
82.33138	0.3
83.08588	0.4
85.06505	1.0
91.18371	0.2
93.07017	0.4
95.08588	2.9
97.10155	0.5
105.06924	0.3
107.08615	0.4
109.10153	5.9
119.08549	3.1
121.06480	0.4
122.07243	1.3
123.11681	0.4
136.08844	0.3
137.09596	14.2
164.08278	0.5
165.09079	100.0
165.63974	0.3
166.09396	1.6
169.54626	0.3
360.22491	0.3
392.84979	0.3
445.36240	1.6
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	MART-10
Peak:m/z	Relative Intensity
55.05503	20.0
55.49142	1.3
57.07062	8.3
65.75200	1.4
67.05493	3.9
68.17969	1.3
69.07056	24.7
71.08646	1.9
81.07033	10.3
83.08601	15.1
93.07039	3.4
95.08593	8.1
97.10131	3.9
107.08562	7.8
109.07735	1.6
109.10142	3.6
119.08569	3.1
121.10105	2.4
135.08023	3.0
135.11641	1.9
137.09579	15.5
138.76329	1.7
139.07536	2.0
145.10117	1.8
149.09627	15.4
159.11714	2.1
163.11142	8.8
165.09087	100.0
175.11179	1.6
177.09064	8.9
191.10629	3.8
199.11127	2.2
203.10709	3.8
205.12137	11.7
253.65123	1.9
268.31656	1.8
407.53265	1.6
427.35556	10.1
445.36957	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	463.378
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05510	41.3
57.07077	51.1
61.57463	5.7
67.05499	35.0
69.07056	87.5
71.08626	33.9
74.39622	6.2
78.35451	5.7
79.05476	25.9
80.20909	7.0
81.07043	84.4
83.08607	32.5
85.10173	25.3
91.05450	14.4
92.09328	18.1
93.07023	75.0
95.08584	100.0
97.10155	14.2
105.07023	85.1
107.08577	73.2
109.10139	57.1
117.07015	10.7
119.08562	60.5
121.10137	53.8
123.11698	11.9
131.08531	49.6
133.10114	52.6
135.11691	38.7
143.08592	13.3
145.10086	60.1
147.11690	35.2
149.13315	23.9
155.07042	12.1
159.11644	52.9
161.13268	15.1
163.14787	8.6
171.11670	12.8
173.13174	14.5
179.43291	6.7
185.13246	13.5
189.16344	8.3
191.10664	12.0
201.16457	8.8
213.16409	9.5
273.18460	7.9
287.19919	7.3
305.30569	7.6
341.31824	8.7
343.33386	14.6
385.34131	9.1
427.35815	64.9
445.36728	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	463.3781
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05495	40.5
57.07051	35.9
63.43307	5.6
65.55779	5.6
67.05495	27.1
69.07057	55.8
69.37796	6.3
71.01310	5.7
71.08611	28.9
71.97781	5.9
79.05477	17.0
81.07037	94.0
83.08602	11.6
85.10190	14.6
91.05468	14.3
91.75302	5.8
93.07011	46.6
95.08585	100.0
97.10151	14.9
104.64607	6.3
105.07031	67.0
107.08581	62.7
109.10131	33.8
117.07011	7.9
118.12390	7.3
119.08546	37.1
120.12667	7.4
121.10128	54.8
123.11702	8.6
131.08559	44.6
133.10100	32.1
135.11693	27.0
137.13271	7.7
143.08495	9.0
145.10063	47.0
147.11667	32.7
149.13289	10.2
157.10051	10.8
159.11649	47.1
161.13223	13.8
163.14839	12.2
173.13164	12.5
179.10529	7.7
188.75865	6.9
191.10571	8.5
196.74066	7.2
201.16397	12.6
267.66544	7.8
291.89026	7.4
343.33603	11.8
427.35562	28.8
445.37006	48.1
463.31580	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	463.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	18.2
57.07066	10.8
61.29399	1.2
67.05484	6.7
69.07054	40.9
71.08621	2.6
77.58662	1.1
81.07037	9.2
82.51639	1.4
83.08601	14.1
92.09377	1.5
93.07032	2.7
95.08573	9.2
96.32771	1.3
97.10146	5.3
97.34409	1.2
105.06969	1.5
107.08585	5.8
109.10152	6.6
111.11713	1.9
119.08533	3.0
121.10158	2.3
131.08501	3.0
133.10117	1.7
135.08069	3.1
137.09592	13.3
145.10132	1.6
149.09584	14.8
159.11630	1.9
163.11156	11.6
165.09074	100.0
173.09598	1.4
175.11113	5.8
177.09073	10.5
185.13200	1.5
189.09056	3.3
189.12703	2.1
191.10608	9.6
199.11163	1.7
202.09875	2.0
203.10663	9.0
203.14278	2.2
205.12160	12.4
219.13782	1.6
371.29633	1.4
427.35641	34.9
431.94809	1.5
463.31232	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	463.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69014	0.2
55.05501	0.5
57.07066	0.3
61.33592	0.2
61.84364	0.2
61.90265	0.2
67.05483	3.6
69.07040	1.5
70.04543	0.2
71.34400	0.2
79.05433	0.2
81.07053	2.6
83.08591	0.3
85.06535	0.5
87.97300	0.2
93.07030	0.4
95.08586	2.5
107.08595	0.2
109.06482	0.2
109.10131	5.7
119.08553	3.1
122.07245	1.1
123.11681	0.3
130.91379	0.2
137.09598	13.8
149.09607	0.3
149.13327	0.2
165.09082	100.0
166.09485	0.5
179.10609	0.3
205.12315	0.4
234.44514	0.3
293.28409	1.2
296.15021	0.2
385.09018	0.2
390.32474	0.3
445.36926	0.7
462.89899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.2
56.96559	28.9
57.68088	2.1
67.05494	4.9
79.05476	6.5
81.07031	5.4
93.07008	4.7
95.08606	4.9
97.06490	14.8
107.08564	3.6
114.62874	2.5
119.08537	3.0
121.10155	2.9
135.77025	2.9
161.02283	3.6
163.03864	4.9
165.09079	10.8
173.02405	3.8
191.25246	2.5
199.06500	2.7
213.07976	25.8
215.06960	3.8
217.07382	10.7
219.83690	2.6
225.07990	4.4
231.08966	42.7
239.09503	3.6
243.08963	4.4
251.09509	14.0
257.10526	4.7
259.09515	3.1
269.10535	100.0
270.11057	2.8
287.11606	96.9
301.14157	5.0
353.41827	3.7
463.23483	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	463.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19848	2.4
53.97389	2.0
76.47111	2.3
88.90788	2.3
90.93800	2.8
157.49585	3.4
203.21707	2.7
224.18510	2.4
272.09164	2.9
463.35449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82487	1.3
54.25904	1.3
62.92318	1.2
65.69347	1.2
91.16569	1.5
133.88162	1.4
238.84633	1.5
302.88602	1.7
317.51114	1.5
392.42834	1.7
463.35419	100.0
464.35318	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	463.1233
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
52.24390	0.4
53.03937	2.1
55.01862	0.7
57.03437	2.1
57.07055	0.5
58.41779	0.5
61.02905	3.1
64.33332	0.4
66.13134	0.5
66.96079	0.6
67.05504	2.4
68.99789	0.8
69.03416	7.6
69.07044	0.6
69.79614	0.5
71.04990	0.7
73.02913	0.8
76.24191	0.5
79.05492	1.2
80.04128	0.6
81.03393	5.3
81.07043	3.4
85.02892	16.8
85.06520	0.9
89.74061	0.5
91.05456	2.6
93.07014	1.3
95.04961	1.3
95.08575	3.2
97.02895	5.9
105.07001	0.8
107.08578	0.6
109.02876	2.8
109.06584	0.7
109.10164	1.0
114.57294	0.5
119.04928	3.4
119.08578	0.8
121.02908	0.7
121.10134	0.8
121.75621	0.5
124.01566	1.0
127.03917	2.7
128.57333	0.5
129.06987	0.9
133.10124	0.7
134.03610	6.9
135.04430	0.5
137.02347	2.2
137.05972	1.2
145.04974	1.0
147.04405	9.3
149.02316	2.7
153.01811	18.5
163.03943	1.0
170.00842	0.5
170.02116	2.8
175.03914	1.0
180.93417	0.6
185.06026	0.5
213.05424	4.4
217.05157	0.6
229.04964	2.5
230.05679	0.7
235.04378	0.6
236.14996	0.6
241.04903	14.1
241.07245	0.9
245.08141	2.9
258.05115	4.7
269.04355	13.5
285.03876	8.5
286.04666	20.9
301.07019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1243
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.00291	0.1
53.03941	0.9
55.01855	0.7
55.05495	0.2
55.44754	0.1
57.03427	1.3
58.06572	0.2
59.07361	0.1
61.02914	2.1
67.01865	0.1
67.05483	0.2
68.99780	0.6
69.03415	6.0
69.07040	0.6
71.04966	0.7
73.02889	0.9
79.05468	0.5
81.03397	3.2
81.07011	0.2
83.01321	0.2
83.08603	0.2
85.02888	12.8
86.09708	0.2
87.00794	0.1
87.04449	0.7
89.03897	0.8
90.04195	0.2
91.03942	0.5
91.05447	0.8
93.07030	0.6
95.04932	0.3
95.08576	0.7
96.08929	0.2
97.02866	4.6
97.06506	0.1
99.04411	0.6
99.08057	0.2
100.11238	0.1
102.05510	0.2
106.04131	0.1
107.04942	0.5
107.08583	0.8
109.02853	1.5
109.10130	0.2
111.00768	0.1
111.08063	0.1
117.03349	1.0
117.07072	0.1
118.03695	0.2
119.04887	1.1
121.01796	0.1
121.02837	0.2
121.06473	0.5
121.10128	0.7
122.10426	0.7
123.04405	0.5
124.01530	1.2
125.09515	0.1
127.03891	1.8
129.07001	0.2
131.04886	0.1
133.10115	0.2
134.03607	5.4
135.04401	1.9
136.04713	0.7
137.02335	6.2
137.03412	0.7
137.06068	0.1
138.02646	2.4
138.03709	0.2
139.02780	1.1
139.03802	0.2
141.07051	0.4
145.02858	0.9
145.04961	0.8
146.03148	0.6
147.04385	2.3
149.02319	2.4
149.05951	0.6
151.03867	0.2
151.45712	0.1
152.01064	1.0
153.01802	17.6
157.06445	0.7
161.02313	0.3
161.05927	0.2
163.03868	4.6
164.04211	3.1
165.01720	0.1
165.04373	1.4
169.06369	0.2
170.02072	2.2
171.04384	0.2
175.03883	0.9
177.16418	0.8
178.16634	0.9
179.03424	0.5
179.17014	0.2
184.05124	0.2
185.05956	1.0
189.05466	0.5
197.05962	0.8
199.03870	0.4
201.05371	0.2
202.06111	0.2
212.04663	0.6
213.05412	4.3
213.07443	0.2
217.04933	0.6
227.03348	0.2
229.04922	2.4
230.05721	1.1
236.14827	0.5
240.04138	0.7
241.04903	12.8
245.08029	3.2
255.06383	0.3
257.04404	0.7
258.05182	4.9
268.03647	0.6
269.04370	9.3
273.07547	0.6
283.05988	0.2
285.03870	8.1
286.01392	0.3
286.04657	20.0
301.07010	100.0
302.07358	0.9
462.27142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49274	2.7
61.69668	3.0
63.00596	3.2
78.95616	6.3
120.96629	82.8
132.96599	13.6
134.92020	3.4
135.03352	3.2
142.94519	3.4
146.23187	3.2
147.71455	4.4
150.97696	20.9
156.97462	4.1
179.63438	3.5
180.98788	13.4
182.21271	3.5
185.04228	22.7
198.98523	96.8
203.05219	48.4
216.99509	29.3
220.82082	3.8
228.99606	4.9
241.01036	7.1
301.01520	6.5
312.15436	3.6
330.67834	3.2
343.57370	3.5
365.10477	100.0
381.07880	83.3
403.06052	56.8
463.06812	4.3
469.78586	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	462.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56722	3.0
54.80891	3.6
55.05499	8.7
57.07047	4.8
61.16846	3.6
67.05490	17.5
69.03418	15.7
69.07070	34.8
79.05497	5.2
80.64600	3.5
81.07047	48.9
83.08604	13.8
93.07016	21.9
95.08588	57.4
97.06505	3.9
97.10155	7.5
105.07013	15.5
107.08575	32.7
109.10149	52.7
117.06995	4.5
119.08559	25.9
121.10122	37.0
123.08061	4.7
123.11704	31.3
125.09598	8.6
133.10115	20.4
135.11690	25.7
137.13235	36.3
145.10127	4.3
147.11655	15.2
149.13239	19.6
151.11153	7.3
159.11688	22.6
161.13281	5.3
163.14752	8.7
173.13264	18.6
175.11267	4.1
175.14812	15.4
179.14276	28.6
187.14766	7.3
188.05171	3.5
189.16383	8.2
191.17932	13.6
201.16356	15.2
207.13797	4.5
215.17982	23.2
217.15976	4.4
229.19446	7.4
231.21059	15.1
235.16971	15.3
257.22617	15.9
271.24109	81.5
289.25275	14.4
312.64819	3.8
409.34064	5.8
427.35648	88.4
445.36719	100.0
462.39413	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	462.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82318	3.2
52.93042	3.3
54.82817	3.7
55.05508	10.0
57.07061	7.6
67.05492	9.5
69.03413	8.5
69.07061	34.9
71.08620	5.2
73.64809	4.8
79.05451	5.0
81.07026	51.1
83.08609	27.1
92.60738	4.9
93.07020	18.5
95.08585	67.8
97.06496	7.4
97.10133	6.8
105.07037	20.1
107.08572	30.6
109.10152	64.4
110.91999	4.1
111.08939	4.0
114.09303	3.7
119.08555	23.9
121.10117	37.1
123.08099	6.8
123.11682	33.7
125.09608	9.5
133.10124	20.7
135.11661	24.1
137.09601	5.0
137.13193	40.8
145.10103	18.8
147.07985	4.8
147.11687	20.4
149.13228	19.8
151.11176	18.0
152.82945	4.1
159.11678	16.8
161.13283	19.2
163.14799	9.7
165.09138	4.5
173.13290	7.3
175.14828	19.8
177.16422	4.2
179.14339	25.9
180.16258	4.0
187.14743	6.7
189.16330	20.1
191.17867	8.5
201.16379	5.8
202.01889	4.3
205.19466	4.6
207.13733	5.1
215.17929	18.5
217.15927	6.0
217.19554	5.6
229.19595	15.9
231.21016	8.4
235.16905	19.9
257.22586	8.4
260.47186	5.8
271.24170	100.0
289.25214	25.5
427.35623	88.3
445.36789	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.82006	0.7
55.01872	0.8
55.05501	1.7
57.03422	0.8
59.30835	0.7
59.58681	0.6
60.16789	0.6
61.02908	1.8
65.03922	1.5
65.85940	0.6
67.05481	6.4
69.03418	15.0
69.07050	0.9
71.04971	1.6
79.05460	4.7
81.03384	3.2
81.07034	5.8
83.04964	4.4
85.02889	14.7
89.05996	1.7
91.05465	8.7
92.08579	0.9
93.03371	1.3
93.06587	0.7
93.07034	13.5
95.04948	15.8
95.08575	4.9
97.02864	6.5
97.06509	2.9
97.43213	0.8
97.86452	0.8
99.04404	1.3
105.07001	18.6
106.00326	0.7
107.04871	1.3
107.08582	7.0
109.02852	3.1
109.06500	9.3
109.10114	3.2
111.04415	9.3
111.08041	1.6
113.02339	1.2
113.05986	3.8
117.06978	3.9
119.08565	24.8
121.02860	1.9
121.06492	10.0
121.10104	5.0
123.04427	1.6
123.08048	9.7
125.05989	0.9
127.03900	3.2
128.06190	1.4
129.06989	2.9
130.07753	1.2
131.03398	0.9
131.08551	14.6
132.42662	0.8
133.06448	3.7
133.10124	7.5
135.08040	18.0
137.02321	29.8
137.03345	1.0
137.05957	1.0
137.09630	5.2
139.03844	1.4
139.07506	1.3
141.06956	2.7
142.07744	2.8
143.08545	5.7
144.09308	4.1
145.06468	4.5
145.10104	12.7
147.04370	1.2
147.08041	12.5
147.11658	3.8
149.05945	0.9
149.09605	4.3
151.03835	1.3
151.07529	1.3
155.03377	0.9
155.08575	1.0
156.09286	3.7
157.10080	8.5
158.07283	5.3
158.10863	1.7
158.63791	0.7
159.08041	11.1
159.11652	14.3
160.08795	0.8
161.05971	1.2
161.09593	13.9
163.03848	1.7
163.07581	1.5
165.09044	9.0
168.09309	3.1
169.10040	1.0
171.08002	3.3
171.11699	4.9
172.08775	5.1
173.09622	7.7
173.13266	7.6
175.07523	19.3
175.11160	12.5
177.05392	0.9
181.10112	0.9
183.11684	5.6
185.09560	1.9
185.13257	1.0
186.10324	1.1
187.07585	1.2
187.11122	11.0
189.09090	5.9
189.12766	4.5
193.08600	4.8
193.10150	1.5
196.08798	3.1
199.11121	9.1
201.12733	11.0
203.10616	10.4
205.12029	1.2
207.10040	1.3
211.11180	9.1
217.12225	7.7
219.13824	1.7
229.12201	11.5
235.13242	3.6
247.06090	0.9
247.13235	28.8
265.14291	100.0
268.26404	0.9
283.17542	1.1
299.07458	1.0
325.09122	1.0
342.79575	0.9
442.23087	0.9
459.04352	0.9
471.22342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81000	0.3
53.03933	2.5
55.01867	2.7
56.15916	0.3
56.96545	0.5
57.03436	2.6
57.73528	0.3
59.04977	0.5
69.03412	8.0
71.04978	0.6
71.37047	0.4
73.02907	2.5
79.01834	0.6
79.05466	0.3
81.03403	9.4
83.04950	0.5
85.02891	23.3
86.09690	0.6
86.42184	0.4
87.04426	0.5
89.03902	0.3
92.64613	0.4
93.03363	0.4
95.04968	0.5
97.02872	9.6
98.97584	0.4
99.04442	1.5
105.07003	0.6
107.01305	3.7
107.08578	0.4
109.02856	9.3
111.04440	4.8
113.02340	8.6
115.03921	0.7
117.03364	0.8
123.04404	0.5
124.95036	0.4
125.02349	3.6
125.05992	0.9
127.03893	5.9
131.03380	10.9
131.04913	0.5
135.04402	3.1
137.02324	100.0
138.02655	0.6
143.00166	0.8
143.03432	0.5
145.02835	2.8
145.05061	0.5
147.04391	3.4
148.04733	0.5
151.03906	4.2
151.07477	0.5
153.01801	3.1
155.03369	5.2
162.03076	0.5
163.03876	23.0
177.05428	0.6
179.06949	2.0
195.02963	0.4
197.08125	2.7
221.04401	0.4
237.00676	0.7
247.13158	0.6
251.05487	2.5
279.04996	2.2
281.06506	0.8
297.05917	5.2
325.09210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01870	2.2
55.86485	0.3
56.96547	0.6
57.03426	2.8
59.04990	0.4
63.55509	0.3
65.03920	0.7
69.03078	0.3
69.03420	6.6
69.38393	0.3
71.04972	0.7
73.02908	2.8
78.44224	0.3
79.01852	0.4
81.03398	7.6
81.07024	0.3
83.04974	0.5
85.02891	19.6
85.06506	0.6
87.00820	0.4
89.03893	0.4
96.03749	0.3
97.02872	8.6
99.04416	1.7
107.01314	3.4
107.04925	0.4
107.86324	0.4
109.02860	6.5
109.06525	0.3
111.04421	4.8
113.02341	6.1
115.03906	0.7
117.03355	0.5
119.04960	0.3
119.08532	0.4
123.08033	0.4
125.02316	4.2
125.05975	1.5
127.03901	4.7
131.03381	8.5
135.04381	3.3
137.02325	100.0
138.02661	0.8
143.03389	1.3
145.02802	2.8
145.04810	0.3
147.04378	3.6
148.04723	0.3
151.03899	5.9
153.01828	2.2
155.03380	4.6
162.03110	1.6
163.03880	21.8
177.05531	0.6
179.07024	1.7
197.08093	3.5
237.00607	0.5
249.03905	0.4
251.05484	2.2
273.03049	0.3
279.04984	1.4
281.06583	0.4
297.05957	5.2
325.09125	1.2
357.81073	0.4
362.84552	0.4
397.65652	0.4
409.07330	0.5
457.79065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20952	0.3
52.85983	0.3
53.00304	0.3
53.03911	0.3
55.01857	0.3
55.05507	6.5
57.03411	0.5
57.07078	2.7
59.04982	0.4
60.64736	0.3
65.03951	0.3
67.05138	0.5
67.05491	11.6
69.03396	0.3
69.06717	0.4
69.07056	8.5
71.08608	0.5
79.05475	2.5
80.80355	0.3
81.07038	17.3
83.08585	2.8
85.06531	3.9
91.05473	1.8
93.07019	3.9
95.04961	0.4
95.08005	0.6
95.08586	11.1
97.10126	1.5
98.98443	0.8
105.07009	1.8
107.08575	4.2
109.10143	9.6
111.11660	0.4
117.07019	0.4
119.08578	4.6
121.06410	0.5
121.10107	3.0
122.07240	1.8
123.07996	0.4
123.11685	2.9
131.08542	0.8
133.10118	1.6
135.08000	1.9
135.11687	1.6
137.09598	13.0
137.13190	0.5
143.08513	0.3
145.10098	0.8
147.11761	0.4
149.09602	6.7
149.13239	0.7
151.07506	0.6
156.09325	0.5
157.10028	0.5
159.11694	0.6
161.09607	0.6
163.11163	2.3
165.09079	100.0
173.09607	0.7
173.13193	0.4
175.07532	0.6
175.11145	1.7
176.08298	0.7
177.09073	3.4
177.12645	0.4
179.10655	0.6
187.11179	0.5
188.08315	0.6
189.09077	1.6
189.12659	0.5
190.09966	0.5
191.10574	2.6
199.11232	0.6
201.12674	0.4
203.10658	5.8
203.14270	1.3
205.12202	4.9
213.12683	0.5
216.11281	0.4
217.12294	0.8
219.13791	0.4
231.13754	1.7
232.01378	0.4
240.61980	0.3
245.15707	0.3
279.26550	0.4
315.77490	0.4
363.28680	1.1
425.34146	1.6
443.34991	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	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24326	0.4
51.90291	0.4
52.19776	0.3
53.03933	3.0
55.01851	1.1
55.05270	0.7
55.05507	12.7
57.03429	10.2
61.02909	2.9
65.03932	1.1
67.05494	33.6
69.03416	1.0
69.07059	7.9
70.10659	0.5
70.47575	0.4
71.04972	0.9
73.06540	0.9
79.05476	47.1
81.03403	8.1
81.07040	32.7
83.04970	15.8
83.08602	4.4
85.02881	2.4
85.06494	1.7
87.04462	0.5
88.62388	0.5
89.53041	0.5
91.03932	0.7
91.05462	35.6
93.07024	42.6
95.04394	0.8
95.04951	14.8
95.08005	0.8
95.08592	20.2
97.02868	2.8
97.06512	3.2
97.10135	3.4
99.07982	0.5
105.04485	0.6
105.07014	27.5
107.04955	4.6
107.08577	14.6
107.27421	0.4
109.06504	4.2
109.09498	0.5
109.10139	4.0
111.08022	0.6
115.05424	0.7
117.07005	6.9
119.08553	17.0
121.06476	1.8
121.10118	2.3
123.08040	3.3
127.03977	0.7
127.07584	0.8
128.06192	1.7
129.06984	9.8
131.08530	1.9
133.10109	8.1
135.11687	1.1
137.02271	0.8
143.08562	6.3
145.10117	6.2
147.08072	1.8
147.11671	19.4
159.11632	0.5
161.09570	2.7
161.13208	7.4
163.03885	1.8
165.09096	0.5
171.11652	12.9
173.53087	0.4
189.12724	4.9
207.13791	8.2
253.15129	0.5
281.17426	100.0
282.17776	1.9
443.22546	1.1
461.14310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01863	3.0
55.05510	14.9
56.41341	1.0
57.03423	6.4
61.02908	2.1
65.76216	1.2
67.05497	48.5
69.03432	2.4
69.07079	10.9
79.05481	73.2
79.32300	1.2
81.03424	12.2
81.07043	44.4
83.04961	15.1
83.08600	6.8
85.02900	7.2
85.06538	3.0
89.03903	1.4
91.05465	57.0
93.07028	70.1
95.04958	26.0
95.08585	23.2
97.02888	2.5
97.06492	5.3
97.10162	2.6
101.13094	1.2
102.89452	1.2
105.04576	1.6
105.07020	43.8
107.04942	7.5
107.08570	14.7
109.02896	2.4
109.06513	5.0
109.10136	6.9
110.30221	1.2
117.06988	10.1
119.08570	24.1
121.06473	2.3
121.10136	5.4
123.08059	2.8
127.03896	8.7
127.07534	1.3
128.06192	1.5
129.06992	16.0
131.08537	1.9
133.10098	8.8
135.04378	5.1
135.11580	1.6
137.02335	16.5
143.08528	11.8
145.10149	11.3
147.04443	1.9
147.11682	40.8
151.07529	2.4
156.09259	1.7
161.09583	6.3
161.13272	9.3
163.03879	15.0
164.99286	1.3
165.09116	2.2
169.81506	1.4
171.11647	23.8
189.12675	5.4
196.05103	1.7
207.13771	24.9
281.17432	100.0
289.89362	1.4
300.01105	1.4
333.17773	1.4
350.02634	1.6
351.18161	2.2
371.78549	1.4
485.22903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
53.99368	0.3
54.18274	0.3
55.01890	1.4
57.03482	0.3
60.76663	0.3
68.99781	0.3
69.03411	3.1
71.01357	0.5
71.04989	0.4
73.02919	0.6
75.65501	0.3
79.05505	1.6
81.03397	8.2
81.03857	0.3
81.07073	0.3
82.40354	0.3
85.02894	4.5
85.03288	0.3
87.00798	2.4
89.03894	11.0
89.10622	0.3
91.05431	0.4
97.02862	4.1
99.04446	0.8
105.01888	1.7
107.01310	0.5
107.04950	3.9
107.08598	0.4
109.02854	5.7
111.04476	0.4
117.03352	15.7
117.04134	0.6
119.18408	0.3
121.10096	0.5
123.49178	0.3
127.03876	6.4
127.12447	0.3
133.10080	0.4
135.03508	0.7
135.04393	31.2
137.02330	100.0
137.03415	12.8
145.02831	20.6
145.04955	1.5
159.02888	0.7
163.03870	98.8
177.16403	0.7
178.04973	2.4
196.05878	0.5
231.04897	0.4
244.68845	0.3
254.36604	0.4
412.32962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24643	0.3
53.03957	0.7
55.01878	0.8
55.05524	0.3
57.03449	2.4
62.04908	0.3
63.02353	0.3
69.03416	4.6
71.01356	0.4
73.02921	2.0
79.05507	2.1
81.03397	7.8
85.02898	3.4
85.81780	0.3
86.09728	0.4
87.04517	0.4
89.03896	10.3
89.04443	0.4
91.05451	0.4
93.07047	0.4
95.05029	0.5
97.02861	4.1
99.04471	0.5
101.02948	0.4
103.05457	0.5
107.04943	2.8
109.02868	4.2
111.04436	0.8
115.03940	1.8
117.03349	13.8
117.04131	0.5
119.04910	0.5
125.66771	0.4
127.03889	5.8
128.06197	0.4
131.04922	4.5
132.05247	1.6
133.04944	0.7
135.04393	30.8
136.04770	0.4
137.02330	100.0
137.03410	9.6
138.02612	0.7
145.01697	0.6
145.02837	19.0
147.04367	3.8
148.04729	0.5
149.05969	0.9
152.10587	0.4
163.03873	84.2
164.04225	1.6
179.03325	0.6
246.14595	0.4
246.64825	0.4
253.62346	0.4
257.31952	0.5
345.54086	0.4
366.81271	0.4
457.99774	0.3
461.10660	0.4
461.13492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81638	5.2
55.05500	33.2
55.26355	4.7
57.07065	6.7
67.05494	38.0
69.07056	44.0
71.04965	8.3
79.05482	47.5
81.07042	82.8
82.11346	5.1
83.08629	8.0
88.75133	4.9
91.05476	34.8
93.07028	75.4
95.04944	7.5
95.08589	100.0
105.07015	33.3
107.08581	93.4
109.10142	55.4
119.08571	39.7
121.10142	53.9
121.37428	5.8
123.11702	9.2
133.10153	29.9
135.11670	53.2
145.10132	8.7
147.11655	22.2
149.13217	28.1
161.13255	8.9
163.14734	6.7
190.19533	5.9
191.17934	6.1
208.99028	6.0
239.13295	6.0
457.13281	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	461.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.7
55.01880	0.4
55.05500	0.3
55.57908	0.3
58.43897	0.3
63.02375	0.4
69.03430	1.3
69.07078	0.6
71.05019	0.4
79.05503	1.8
81.03402	7.0
81.03799	0.4
83.47177	0.3
85.02883	0.8
89.03902	10.6
93.07061	0.3
95.04971	0.4
107.01347	0.7
107.04943	3.2
107.08624	0.4
109.02878	4.2
117.03368	15.4
121.10155	0.5
121.85535	0.3
127.03901	5.2
135.04405	30.6
135.11714	0.4
137.01472	1.8
137.02338	98.2
137.03416	10.1
145.02840	19.8
163.03883	100.0
177.16365	0.7
195.17357	0.4
305.19193	0.3
409.43564	0.3
461.10367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01861	0.7
55.05497	1.4
57.03422	0.7
57.92131	0.3
61.02907	0.4
61.23801	0.3
62.00625	0.3
62.01474	0.3
66.92050	0.3
67.05486	0.6
69.03066	0.6
69.03419	8.7
69.07045	0.3
71.04958	0.6
73.02900	1.3
79.05482	0.5
81.03397	3.5
81.07037	0.5
83.04962	1.5
85.02895	6.1
85.06506	0.4
87.00804	2.2
89.03901	1.8
91.05469	4.4
93.07008	1.2
95.08575	0.7
97.02881	5.8
97.06499	0.5
99.04461	2.7
101.06021	0.4
105.01828	1.2
105.07001	1.2
107.08573	1.4
109.02849	1.8
109.10122	0.3
117.03367	2.9
119.04926	18.3
119.08575	1.2
127.03897	2.9
133.10106	1.3
134.47423	0.3
135.04427	3.6
135.11560	0.4
137.02315	4.2
145.02855	8.0
145.04935	1.3
147.04398	100.0
148.04823	0.3
149.05962	0.5
149.09583	1.6
163.03883	21.9
164.04214	0.5
165.01788	3.5
165.05458	0.6
171.76837	0.3
175.14772	0.6
177.05437	10.0
183.02835	0.7
193.15891	0.6
195.06464	2.4
202.56631	0.3
211.16995	0.6
212.17201	0.5
217.08597	0.6
227.06862	0.4
263.12744	2.2
309.09619	5.1
312.78314	0.3
325.09271	0.6
454.16345	0.3
461.10733	0.5
487.97742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01861	0.6
55.05511	10.6
57.03429	1.0
57.07065	3.8
57.07308	0.4
63.35751	0.4
63.48225	0.4
67.05497	7.7
68.70689	0.4
69.03417	6.5
71.04974	5.6
79.05479	0.6
81.03387	0.7
83.04972	86.5
85.02883	2.5
85.06524	7.5
89.03901	2.6
91.05455	2.0
97.02872	8.6
99.04430	0.6
101.05988	6.7
107.04964	0.9
111.04416	3.4
115.03922	0.9
117.03374	6.3
117.59791	0.5
119.04932	8.3
135.04408	17.1
137.02341	3.2
143.03267	0.5
145.02846	14.0
145.03949	1.0
147.04402	63.5
148.04770	0.9
163.03888	100.0
164.04242	0.7
165.05417	0.7
177.05421	0.5
241.89772	0.5
242.68654	0.5
295.07901	0.9
309.09579	6.8
325.09070	3.4
348.01370	0.5
407.13339	1.0
425.14435	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
50.28074	5.4
55.05502	8.5
55.50008	4.3
56.50489	5.2
57.07070	6.0
67.05480	8.7
69.07048	11.4
76.56628	4.0
81.07034	36.5
83.08587	8.6
87.74045	4.4
90.01287	4.5
92.09396	10.9
93.07013	28.2
95.08584	46.8
97.08070	4.7
105.06999	10.2
107.08575	25.3
109.06513	6.1
109.10149	38.7
109.10770	4.5
119.08549	22.4
120.43776	4.1
121.10114	80.1
123.11680	32.3
133.10112	17.7
135.11687	8.7
137.13213	23.8
138.50995	4.5
145.10091	5.5
147.11661	10.9
149.09612	34.6
149.13220	6.3
159.11659	17.5
161.13185	5.7
173.13255	8.9
175.14833	6.5
187.14824	6.1
189.16409	9.2
191.17889	5.9
205.19553	8.7
423.36111	100.0
441.37210	91.6
442.37439	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28074	5.4
55.05502	8.5
55.50008	4.3
56.50489	5.2
57.07070	6.0
67.05480	8.7
69.07048	11.4
76.56628	4.0
81.07034	36.5
83.08587	8.6
87.74045	4.4
90.01287	4.5
92.09396	10.9
93.07013	28.2
95.08584	46.8
97.08070	4.7
105.06999	10.2
107.08575	25.3
109.06513	6.1
109.10149	38.7
109.10770	4.5
119.08549	22.4
120.43776	4.1
121.10114	80.1
123.11680	32.3
133.10112	17.7
135.11687	8.7
137.13213	23.8
138.50995	4.5
145.10091	5.5
147.11661	10.9
149.09612	34.6
149.13220	6.3
159.11659	17.5
161.13185	5.7
173.13255	8.9
175.14833	6.5
187.14824	6.1
189.16409	9.2
191.17889	5.9
205.19553	8.7
423.36111	100.0
441.37210	91.6
442.37439	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3828
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.01866	53.2
55.05499	17.3
57.07067	5.1
59.04975	8.7
67.05492	35.7
69.03418	34.3
69.07060	31.8
73.43421	2.8
78.39590	3.1
79.05470	15.1
81.07037	52.5
83.08585	20.8
87.04469	4.4
91.05460	8.2
93.07016	32.2
95.08584	100.0
97.06502	98.5
97.10126	3.8
105.07011	23.3
107.08564	46.8
109.10135	70.4
111.08031	4.5
115.07548	60.1
119.08543	29.8
121.10131	45.4
123.11653	24.9
125.09583	30.0
131.08582	4.0
133.10098	60.5
135.11658	45.3
137.13226	17.6
141.09123	17.8
145.10092	15.8
147.11679	36.9
149.13240	34.9
151.14772	4.1
157.10110	4.8
159.11690	17.8
161.13251	7.8
163.14786	26.9
167.10667	4.3
173.13232	13.5
175.14769	4.7
177.16319	6.0
187.14810	6.3
191.17908	87.9
201.16437	6.9
205.19527	7.3
209.15352	4.8
217.19449	5.6
220.27319	3.6
327.30591	4.2
345.31503	7.9
405.34891	7.2
423.36127	17.1
441.37149	64.6
459.38086	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	459.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.1
55.05510	24.5
57.03432	3.1
61.44041	1.4
63.46652	1.4
67.05503	15.7
68.58316	1.5
69.03409	6.3
69.07055	26.0
71.04967	1.9
79.05467	9.9
81.03387	1.9
81.07021	20.5
83.04967	1.9
83.08609	48.1
85.02874	1.9
85.68298	1.3
87.08091	8.6
91.05455	13.4
91.18432	1.8
93.07027	30.1
95.04956	15.4
95.08590	59.1
97.02882	1.7
97.06527	7.6
99.04413	1.5
103.68101	1.4
105.07017	27.3
107.08598	12.8
109.06524	13.1
109.10137	3.5
111.08065	42.1
113.09640	15.3
117.07013	9.4
119.04908	1.9
119.08546	20.1
121.06495	11.5
121.10128	15.2
123.08044	32.3
123.11694	3.7
125.09678	1.7
128.06227	2.8
129.06963	3.7
129.09116	3.9
130.07735	1.8
131.08554	40.0
131.09456	2.8
133.10078	13.4
135.08038	6.3
135.11664	5.9
137.05972	7.5
137.09605	2.2
141.12741	8.4
143.08524	14.5
144.09328	1.6
145.06517	2.7
145.10109	37.6
147.08043	9.8
147.11696	6.9
149.09636	10.2
150.22406	1.6
155.08549	8.3
157.10121	10.8
158.07285	1.6
159.08054	9.3
159.11642	12.5
161.09616	13.8
161.13277	2.9
163.03918	2.6
163.11185	3.4
165.06990	2.0
169.10144	7.0
171.08038	8.3
171.11703	8.5
173.09608	36.3
173.13228	100.0
174.10378	2.0
175.11169	6.9
175.14778	5.9
179.14314	8.8
181.10101	7.7
183.11681	10.3
185.09651	8.3
185.13274	8.7
187.11203	8.0
187.14755	3.3
189.09114	10.0
191.10667	8.8
193.10019	1.9
195.11702	9.9
196.12514	2.8
197.09540	3.4
197.13219	11.9
199.11148	9.9
199.14839	2.6
201.12721	17.6
201.16037	1.8
205.10141	2.6
205.12190	2.4
207.11676	2.4
209.09648	2.1
209.11562	2.7
209.13353	3.0
211.11180	6.2
211.14859	3.2
213.12723	10.9
215.14293	13.0
217.12221	2.0
219.13788	2.9
223.11136	2.9
223.14856	2.3
225.12729	7.5
227.14313	5.9
229.12265	2.5
231.13815	6.8
235.14784	2.3
237.16275	12.8
238.13582	1.9
239.14285	3.7
241.12096	2.5
241.15794	2.1
243.13866	2.0
243.17522	3.3
247.14964	2.3
249.14743	2.5
250.13339	2.2
251.14252	2.3
253.15816	15.1
255.13719	2.6
255.17430	8.0
257.55185	1.6
263.14407	2.0
265.15891	11.5
265.19452	6.7
269.18939	1.8
271.16949	1.8
275.17953	3.4
281.15094	2.1
283.16943	18.3
283.20190	3.1
284.17691	2.2
293.18845	12.4
299.16360	3.1
301.17932	48.4
302.18719	3.7
311.19928	36.9
329.21088	55.8
331.22702	8.2
334.19159	1.9
335.20273	2.8
339.19400	3.0
347.22278	13.5
353.21130	6.6
357.20386	10.7
370.59161	1.5
371.22028	41.3
405.27777	2.4
423.28763	13.1
427.43814	1.6
441.29919	80.0
459.30966	69.2
459.37390	2.5
462.71902	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22432	4.9
52.38110	4.9
53.03939	7.0
55.01863	12.5
55.05505	41.4
57.03413	5.7
67.05504	45.6
69.07055	29.7
74.02071	4.6
79.05470	48.9
81.03378	10.7
81.07050	51.4
81.40800	5.4
82.02027	5.4
83.04972	6.6
83.08577	8.6
88.98820	4.9
91.05468	54.3
92.52397	5.4
93.07035	31.4
95.04954	31.7
95.08581	27.7
97.06525	9.5
97.10164	13.0
105.07017	43.6
107.04939	25.0
107.08586	35.1
109.10151	12.2
117.07008	11.3
119.08569	10.2
121.10102	6.5
129.07016	11.7
131.08574	13.4
133.10083	35.3
137.09612	6.7
145.06502	9.2
145.10092	11.6
147.08078	6.8
159.07983	6.7
159.11702	9.9
163.11154	6.9
165.09100	55.1
168.71681	5.8
171.11690	8.1
173.13220	7.7
193.12123	9.1
207.13603	6.3
248.29524	5.9
367.22675	10.4
385.23624	28.1
459.27420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17684	4.0
55.01866	10.8
55.05501	36.2
56.61816	4.0
59.79606	4.7
67.05490	50.0
69.07050	11.1
79.05474	52.0
80.66821	5.0
81.03393	22.7
81.07036	40.5
83.04983	7.0
83.08612	11.0
91.05457	46.0
91.94917	4.8
93.07028	29.0
95.04961	34.9
95.08574	9.8
97.10158	8.4
105.07011	43.0
107.04953	10.6
107.08593	26.7
109.06532	7.4
109.10142	28.7
117.06994	11.6
119.08578	20.1
121.06464	6.9
121.10130	8.5
129.07013	11.6
130.33717	5.7
130.48730	5.6
131.08549	10.8
133.10106	24.0
141.07001	7.1
143.08537	7.2
145.06511	11.7
145.10156	9.9
161.05777	6.0
161.09441	6.4
163.11127	9.6
165.09114	31.8
178.75845	4.8
185.13272	6.2
192.45618	5.4
193.12230	9.6
283.92731	5.6
325.03842	5.8
367.22760	24.0
385.23819	48.4
459.27325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2506
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
52.54494	3.6
53.00841	4.6
55.01845	8.8
55.05500	25.4
57.03425	11.9
57.07066	7.8
61.97848	4.4
63.62154	4.3
63.92001	4.3
67.05495	58.1
69.07037	26.4
71.04999	3.9
71.08587	4.4
74.56125	4.6
76.55782	5.0
76.95110	4.7
79.05489	45.2
81.07043	55.7
82.08382	4.0
83.08601	4.4
91.05479	66.2
93.07020	48.5
95.04922	6.9
95.08587	55.4
97.06466	5.8
98.98444	100.0
105.07005	53.6
107.08574	30.5
109.06467	5.0
109.10131	7.7
110.98775	5.0
117.07015	10.5
119.08549	50.7
121.10131	22.2
128.06168	5.3
129.06984	10.5
131.08527	23.7
133.10078	29.1
133.38525	5.1
141.67049	5.3
143.08588	10.1
145.10066	11.2
147.11653	11.0
152.34752	5.9
157.10094	11.1
159.11664	10.2
171.11670	21.3
173.02055	4.5
175.14700	8.6
181.22568	5.8
185.13074	8.5
187.14764	5.5
189.16295	7.8
199.14783	7.5
269.22562	30.1
287.23569	35.0
355.85678	5.0
361.27280	30.1
403.58545	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	459.2506
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
51.16954	1.5
52.26520	1.7
53.03931	3.9
55.01865	4.3
55.05511	18.8
57.03428	17.3
57.07059	10.9
58.22951	1.5
61.89668	1.8
67.05495	59.3
69.07063	16.6
73.02892	3.0
79.05476	42.4
81.07047	43.2
82.87537	1.9
83.04977	2.7
83.08588	4.2
85.06544	2.7
91.04900	3.1
91.05465	68.6
92.08627	9.7
93.07018	46.9
94.07268	2.2
95.04951	7.1
95.08593	33.8
97.02862	4.1
97.06525	2.6
97.10110	2.7
98.98452	100.0
99.04441	2.3
99.08046	2.1
104.51735	2.2
105.07015	45.3
107.08592	29.5
109.10134	13.9
112.10923	2.3
114.21712	2.3
115.93597	2.0
116.99481	2.2
117.07012	17.5
119.08576	40.3
121.10134	27.7
129.05452	4.0
129.06990	17.0
131.08548	25.7
133.10123	31.7
135.08095	2.8
135.11662	11.1
143.08533	17.1
145.10120	23.0
147.08083	2.7
147.11696	21.0
149.09657	2.8
149.13179	2.1
155.00987	4.4
157.10097	9.4
159.11676	10.2
161.09616	2.5
161.13229	9.8
169.10068	2.1
171.11613	16.3
173.02106	10.7
173.13188	3.1
175.11192	4.3
175.14793	10.4
183.11703	2.3
185.13274	10.1
187.14864	3.7
189.16357	13.2
191.66893	2.2
199.14893	3.3
201.16432	2.8
203.17909	19.6
213.16292	3.3
242.90053	2.0
243.21043	4.5
245.22490	3.9
259.20581	3.1
259.24136	3.5
269.22583	27.5
287.23648	37.1
361.27258	34.9
361.64429	2.4
424.28799	2.5
459.26566	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71509	0.6
51.66639	0.6
53.03935	1.5
54.81853	0.7
55.05502	9.5
57.07062	1.9
57.49611	0.8
59.04997	1.6
59.27571	0.7
62.18494	0.6
67.05495	14.9
69.03422	10.7
69.07059	13.6
71.04987	3.5
74.93992	0.8
79.05482	3.5
81.03396	4.3
81.07039	20.8
83.04968	10.5
83.08611	8.7
85.02891	6.6
85.06533	4.1
87.00815	4.1
91.05495	1.3
93.07024	12.7
95.04963	1.3
95.08588	35.4
97.02856	10.0
97.06492	1.5
97.10169	1.8
99.04446	1.8
99.08075	4.2
102.46432	0.7
105.01875	1.0
105.07014	6.0
107.08579	29.6
109.02831	1.0
109.06499	10.5
109.10143	100.0
110.06831	0.8
110.10458	1.0
111.08067	4.2
113.09622	0.8
119.08562	32.9
121.10120	12.1
123.08035	13.5
123.11685	10.3
127.03901	5.2
133.10114	21.6
135.08170	2.1
135.11671	87.0
137.02370	1.8
137.09605	15.2
139.11185	1.3
145.04924	1.0
147.11684	1.1
149.13252	6.2
151.11182	9.1
151.14801	8.9
153.12709	1.5
163.03912	1.4
165.16374	1.5
175.14790	32.9
193.15863	40.4
211.16910	38.7
224.66988	0.7
269.04514	1.6
334.48001	0.8
371.22095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01861	5.0
55.05509	11.7
57.03423	4.4
57.07068	2.1
59.05018	0.9
61.02911	5.4
67.05147	0.9
67.05495	20.0
68.88565	0.8
68.99773	2.1
69.03419	37.9
69.07063	15.9
71.04980	4.1
71.08622	0.9
72.71078	0.8
73.02899	4.9
73.06560	0.8
79.05476	4.8
81.03407	23.8
81.07040	21.9
83.04972	11.5
83.08614	7.4
85.02892	61.4
85.06533	5.0
87.00819	37.3
91.03902	0.9
91.05473	6.7
93.07024	19.4
95.04961	3.6
95.08591	39.9
97.02877	21.1
97.06519	1.5
97.10159	4.6
99.04456	7.4
99.08076	15.8
103.03918	1.1
105.01852	28.6
105.07019	11.5
107.04938	1.3
107.08586	33.5
109.02870	18.8
109.06530	9.3
109.10146	100.0
111.08067	3.7
115.03899	1.2
117.01853	1.1
119.04956	1.3
119.08557	38.6
121.10126	20.5
123.08044	16.8
123.11691	11.6
124.05185	1.6
125.09621	1.9
127.03898	30.5
129.01808	1.9
131.08553	1.4
133.10109	42.8
134.10425	1.1
135.04317	1.0
135.11678	76.0
137.06001	1.4
137.09593	34.7
139.07521	1.4
139.11143	1.9
145.04924	7.5
145.10095	1.0
147.04411	4.8
147.11668	3.9
148.04752	1.4
149.13254	9.5
151.11154	9.6
151.14821	9.8
153.12712	2.1
159.02844	1.9
163.03883	6.6
164.04211	1.9
165.05443	5.3
165.16403	2.0
173.13283	0.8
175.14793	41.2
177.16292	1.4
189.03893	1.3
193.08641	0.9
193.15855	52.9
211.09612	1.9
211.16905	37.9
231.05040	3.8
239.92046	0.8
273.25827	0.9
383.88223	0.9
410.64224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01864	6.7
55.05503	10.6
57.03421	4.3
61.02917	1.2
66.13034	0.9
67.05142	1.4
67.05492	25.1
68.99777	1.6
69.03416	17.7
69.07030	4.4
69.62012	0.9
71.01338	1.6
71.04965	2.5
73.02908	4.0
79.05470	2.4
81.03404	18.0
81.07046	15.5
83.04464	1.4
83.04963	37.1
83.08612	1.8
85.02892	32.1
85.06515	2.0
86.09678	1.3
87.00810	19.0
91.05450	2.2
93.07001	9.2
95.04950	39.8
95.08582	16.0
96.71031	1.0
97.02871	13.1
97.06516	1.9
99.04437	7.5
99.08086	9.2
105.01849	10.2
105.06997	4.2
107.08582	13.2
109.02862	14.7
109.06504	7.7
109.10143	96.4
117.01831	1.5
117.03293	1.1
119.04892	4.2
119.08565	10.6
121.06480	4.1
121.10104	9.9
123.08020	1.6
123.11674	6.7
127.03886	18.2
129.01831	1.2
133.10089	13.6
135.04364	6.3
135.08038	4.0
135.11681	9.7
137.02341	1.8
137.05965	8.6
137.09595	100.0
145.02859	4.5
145.04944	2.4
145.10123	1.4
146.03175	1.8
147.04395	19.0
148.04749	1.4
149.09569	1.6
155.10634	5.0
159.02892	6.6
161.09589	2.1
163.03882	25.3
164.04201	10.6
165.16360	5.5
175.11328	1.1
175.14803	6.4
177.05417	7.7
179.10559	1.7
193.15851	97.9
195.06509	1.7
197.11658	7.5
211.16852	9.8
214.44449	1.0
217.15869	1.4
231.04910	4.0
235.16888	1.8
245.11598	1.9
297.69550	1.3
325.08841	1.3
364.89188	1.2
367.13812	1.6
385.14627	4.3
423.19852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09238	0.6
51.03159	0.7
53.03938	1.4
55.01849	3.0
55.05504	7.4
57.03415	3.3
57.07074	1.6
61.02896	1.7
67.05496	9.9
69.03415	11.4
69.07058	6.5
71.04962	3.2
73.02897	1.5
79.05466	3.3
81.03400	8.6
81.07040	10.6
83.04963	5.3
83.08610	7.4
85.02896	19.1
85.06532	3.4
87.00819	7.8
91.05445	1.8
92.08660	1.0
93.07030	8.8
93.31410	0.8
95.04942	1.8
95.08586	21.5
97.02883	5.6
97.06490	5.9
97.10133	3.2
99.04418	1.5
105.01842	3.5
105.06999	4.5
107.08588	13.9
109.02862	5.7
109.06501	5.6
109.09383	1.4
109.10145	43.6
111.08064	21.2
119.08557	19.4
119.28767	0.7
121.10130	11.1
121.71520	0.9
123.08051	19.8
123.11675	7.4
125.09591	3.0
127.03902	6.2
133.10117	23.8
135.03596	0.7
135.11682	26.1
136.73502	0.7
137.09595	48.8
137.13239	3.6
138.10394	6.3
139.11176	1.3
145.04950	1.1
147.11658	3.7
149.13263	8.4
151.11165	3.2
151.14792	4.8
159.02840	3.3
159.13699	0.8
163.03886	0.8
165.12720	7.8
165.16368	1.2
175.14784	35.4
189.03719	0.8
193.15855	24.0
193.17506	1.2
195.04578	0.7
197.06030	0.8
211.16908	100.0
213.05470	3.2
241.04956	3.0
269.04425	11.6
297.04050	5.8
297.07074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97079	6.8
53.83035	6.1
55.05483	8.9
56.39506	5.3
58.12539	6.5
58.42905	6.6
67.05497	11.1
69.03409	27.5
69.07050	46.6
80.82841	8.1
81.07029	80.9
83.08602	13.1
91.05435	7.9
93.07021	39.5
95.08591	100.0
97.06498	44.0
105.07008	26.1
107.08602	76.5
109.10139	73.4
110.19540	6.1
111.03526	6.7
119.08552	30.7
121.10093	55.9
123.11692	42.8
125.05962	7.0
125.09595	70.1
133.10124	50.6
135.11691	52.3
137.13223	33.5
143.08513	7.8
145.10097	9.0
147.11664	46.3
149.13268	43.3
159.11716	26.4
161.13318	10.7
163.14780	45.7
173.13200	12.8
175.14847	9.9
185.13075	8.8
187.14867	7.6
191.17937	86.6
199.14690	10.3
201.16449	7.8
205.19455	10.2
247.83670	7.1
265.45566	6.9
405.34943	29.2
423.36050	38.2
441.37146	83.3
455.05414	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05500	7.3
57.03400	1.3
57.07080	1.6
59.04984	2.5
67.05492	15.7
68.48438	1.2
69.03412	13.3
69.07047	11.5
71.04974	2.4
79.05447	1.9
81.03391	4.8
81.07034	19.4
83.04954	9.7
83.08594	7.4
85.02876	13.6
85.06515	2.4
87.00800	5.6
90.15788	1.2
91.05455	1.3
93.07023	10.4
95.04941	1.7
95.08585	33.6
97.02887	2.8
97.06530	2.4
97.10143	1.7
99.04422	1.7
99.08045	5.9
105.01876	1.8
105.07007	6.7
107.08578	31.0
109.02859	1.2
109.06489	11.2
109.10143	100.0
111.08067	2.2
119.08546	34.8
121.10129	13.8
123.08039	13.1
123.11697	10.2
125.09605	1.2
127.03891	5.1
133.10110	23.4
135.11673	95.1
136.05145	1.2
136.89439	1.1
137.09598	18.6
149.13274	6.3
151.11165	9.6
151.14798	10.2
153.12663	2.8
172.97206	1.3
175.14787	35.8
193.15854	43.4
211.16882	38.2
361.06284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03642	1.2
69.03419	14.1
81.54059	1.3
85.02879	1.8
91.05470	2.8
95.13916	1.5
97.02872	27.5
97.47742	1.3
107.04958	2.2
113.49547	1.4
115.03918	36.0
118.88586	1.3
119.04908	17.1
123.04379	2.5
123.59708	1.5
131.04912	1.3
141.82301	1.6
145.06490	1.8
147.04395	100.0
148.04787	1.9
153.06946	1.9
157.73631	1.3
163.03871	6.4
164.04227	1.3
165.05438	20.2
169.06412	2.2
171.08055	2.5
187.07497	1.3
190.48221	1.2
194.75859	1.3
197.05974	1.5
199.07558	2.1
202.82919	1.6
243.06494	2.1
261.07587	10.5
279.08594	2.5
304.94025	1.5
401.11826	1.4
453.81305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05507	5.2
57.07063	6.3
57.59667	2.2
59.04991	5.6
67.05499	11.3
69.07066	21.9
78.06165	2.7
81.07035	41.4
83.08620	5.5
87.04489	3.4
91.05427	3.9
93.07030	18.1
95.08591	71.4
97.10124	4.7
105.07032	14.6
107.08578	33.1
109.10124	27.2
111.08105	4.2
111.11734	2.7
117.10782	2.7
119.07852	3.1
119.08534	21.4
121.10137	24.1
123.11683	15.0
131.08536	5.9
133.10118	15.4
135.11653	6.4
137.09613	3.3
137.13248	15.2
145.10124	10.8
147.11673	10.1
149.13237	24.7
157.10109	5.8
159.11667	6.6
161.09567	3.8
161.13210	6.2
163.14801	6.8
171.11621	3.8
173.13213	13.0
175.14844	9.8
177.16362	5.6
183.11728	4.2
184.38686	2.8
185.13208	9.8
187.14749	12.1
189.16423	3.9
191.17964	5.7
193.86458	2.8
199.14824	5.8
201.16328	4.0
203.17796	2.9
215.17967	5.7
224.15532	5.5
225.16322	3.4
229.19456	3.9
231.17159	3.9
243.21046	13.5
247.20572	3.9
255.20828	3.5
257.22574	5.6
267.21075	12.4
273.22095	5.4
285.22046	6.5
321.25754	11.0
405.35120	10.7
423.36209	100.0
441.37228	50.9
458.37003	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35952	0.1
51.53458	0.1
53.03952	0.2
56.78742	0.1
57.03424	0.7
59.04968	0.3
65.03915	0.3
69.03419	3.1
70.22964	0.2
71.01334	0.2
71.04979	0.2
74.70437	0.2
81.03403	1.3
84.01457	0.2
85.02892	1.5
89.03857	0.2
91.05461	2.5
95.83719	0.2
96.04443	0.2
97.02878	6.4
99.04420	0.7
101.02345	0.2
114.36445	0.2
116.99013	0.2
117.03348	0.3
119.04921	12.7
127.03923	0.4
135.04382	1.4
135.67258	0.2
136.04762	0.3
145.02859	1.1
146.03197	0.2
147.04395	100.0
148.04803	0.3
163.02509	0.3
163.03877	8.4
164.04254	2.4
165.05431	1.7
277.60483	0.2
287.08884	0.2
291.08551	0.4
309.09644	12.5
325.09283	0.2
326.09085	0.2
338.13693	0.2
405.11792	0.9
444.13629	0.2
453.54089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.56211	0.2
57.03419	1.1
69.03079	0.3
69.03416	6.6
69.07051	1.3
71.04985	0.2
73.02900	0.3
79.05458	0.4
80.16372	0.2
81.03379	1.5
85.02885	1.4
89.03884	3.0
91.05449	1.6
94.39783	0.2
97.02866	5.5
99.04428	1.7
105.06960	0.2
107.04936	1.3
114.38370	0.3
117.03363	5.9
119.04915	6.3
120.86495	0.3
127.03865	0.5
129.12720	0.4
135.04393	14.7
144.76840	0.2
145.02835	11.5
147.04388	32.6
163.03871	100.0
164.04185	1.3
165.04346	0.4
173.06061	0.3
175.03885	0.2
175.61406	0.3
181.04932	1.0
201.05473	0.5
215.07010	0.4
218.47664	0.2
286.23358	0.3
307.07938	0.4
309.09543	2.2
325.09076	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	458.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05499	1.1
57.03427	2.8
59.04985	0.3
64.33247	0.2
69.03420	10.3
69.06757	0.3
69.07057	4.0
71.01347	0.3
71.04982	0.6
73.02915	0.4
76.35329	0.2
79.05459	0.5
80.04995	3.6
81.03405	2.6
81.05326	0.4
82.04457	0.3
83.04948	0.3
85.02894	6.8
87.00860	0.4
87.04460	2.5
89.03891	2.8
91.05464	5.8
93.07005	0.3
95.04952	5.1
96.04473	0.3
96.05264	1.1
97.02878	10.8
97.06516	0.4
99.04433	2.3
100.11281	0.4
105.01860	0.3
105.07021	1.2
107.04935	1.1
107.08568	0.6
109.02850	0.6
109.10128	0.2
111.11713	1.0
115.03917	2.6
117.03355	4.1
119.04923	21.4
119.08568	0.4
119.23000	0.2
121.10094	0.5
124.07578	19.4
125.07914	5.5
127.03858	2.0
129.12741	0.6
132.55159	0.3
133.04985	2.0
133.10124	1.3
135.04391	10.2
135.07980	0.3
136.04720	0.4
145.02837	8.8
145.04930	0.4
145.10074	0.3
147.04395	100.0
147.13728	0.4
148.04765	0.4
153.09134	1.2
158.10817	0.4
163.03880	67.2
164.04228	2.1
165.04262	0.5
165.05463	1.6
173.05936	0.5
173.13168	1.1
175.14670	0.2
177.64606	0.2
181.04865	0.5
182.15407	0.4
187.07462	0.4
189.08960	0.4
191.14281	1.0
192.14604	0.5
201.05392	1.2
209.15318	1.4
210.15044	0.2
215.06963	0.6
217.08388	0.3
291.08466	0.4
292.01883	0.3
309.09656	8.4
318.14850	0.3
325.09128	5.1
405.11597	0.5
457.33731	0.3
458.33966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.75787	3.5
53.04419	3.5
55.05492	21.6
57.07059	15.4
59.04987	5.8
63.64507	3.4
64.84592	4.0
67.05486	28.0
69.03420	5.6
69.07062	30.2
70.06570	4.6
71.04992	5.6
71.08601	4.8
79.05465	20.7
81.07046	80.7
83.04924	6.3
83.08611	16.9
88.07600	5.6
91.05465	15.3
93.07018	42.2
95.04926	8.4
95.08588	100.0
97.10121	8.3
105.07006	16.3
107.08595	60.1
109.06487	17.3
109.10137	63.4
111.91561	3.8
119.08559	37.5
121.10093	59.2
123.08047	6.1
123.11683	43.8
125.09609	6.9
129.53522	4.5
133.10098	25.0
135.11641	37.1
137.09679	4.2
137.13292	33.4
145.10094	14.8
147.11650	19.5
149.13197	41.9
151.92168	3.7
159.11632	15.2
161.09546	8.6
161.13214	17.1
163.14735	19.9
171.11621	8.8
173.13165	9.9
175.14769	9.7
177.16328	29.1
179.47655	3.9
181.10019	4.4
191.17926	38.9
200.20062	5.9
203.17873	4.9
205.19458	6.4
207.13828	4.5
209.15250	5.6
269.19165	4.4
283.26074	8.3
309.36639	4.0
350.35583	4.4
357.04565	5.0
413.33871	21.2
421.34460	25.1
422.34940	8.1
439.35446	66.2
456.43906	19.1
457.36301	72.1
457.43634	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	457.3674
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
54.59876	3.0
55.05502	6.1
57.07057	19.7
67.05505	23.3
69.07045	18.4
70.06549	3.7
71.06016	2.7
71.08608	4.8
75.76067	2.6
79.05501	10.7
81.03392	19.0
81.07052	55.3
83.08602	11.4
88.07616	7.1
88.11871	3.1
91.05461	6.5
93.07021	32.5
95.08588	100.0
99.08096	3.6
102.09174	4.1
105.07001	16.7
107.08578	25.6
109.10139	54.5
109.76985	2.7
117.06912	3.7
119.08561	20.9
121.10131	46.8
123.08023	3.8
123.11677	19.6
123.76299	2.7
125.09639	4.7
131.08585	5.3
132.55281	3.1
133.10109	15.7
135.11661	24.9
137.09599	6.7
137.13235	27.0
138.00830	3.1
145.10114	6.0
147.11658	11.9
149.09680	4.0
149.13271	17.5
151.14795	11.7
157.10071	5.4
159.11690	6.6
163.14818	4.0
165.09088	10.8
171.11607	4.5
173.13187	4.3
185.13254	6.9
187.14847	3.7
197.25128	3.2
200.20091	13.2
201.20422	3.9
203.17807	3.0
222.42906	3.2
273.25760	12.7
283.26456	7.2
284.26563	5.0
330.45554	3.3
421.34412	17.6
429.88376	3.7
439.35651	40.5
456.44009	14.0
457.36478	25.2
457.44165	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	457.3676
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
54.85507	8.6
55.05511	19.9
57.07070	20.2
67.05489	15.4
76.56861	11.9
79.05478	13.8
81.07046	68.2
84.38656	9.5
91.05536	8.0
93.07024	39.0
95.08576	100.0
105.07042	9.3
107.08591	48.7
108.61739	8.4
109.10154	48.3
113.05981	11.6
119.08578	35.3
121.10152	46.2
123.11697	47.8
131.08560	11.3
133.10098	17.8
135.11703	20.9
137.13245	15.1
145.10106	14.6
147.11693	12.6
149.13260	22.2
159.11696	11.0
163.14836	10.4
177.16342	13.6
191.18033	14.4
283.26248	10.5
384.76666	9.3
421.34625	21.8
439.35645	93.4
456.43723	12.7
457.36136	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05500	24.3
56.24222	3.8
57.07067	19.3
59.04994	100.0
62.44628	3.5
67.05490	10.1
69.07062	27.6
75.61285	4.8
77.64172	4.4
78.38297	4.4
79.05464	8.5
79.17786	4.2
81.07039	54.8
83.08591	8.8
87.04449	32.8
88.07599	10.1
92.08672	7.1
93.07024	29.2
95.08581	86.1
97.10163	8.4
102.09145	4.7
105.07017	21.9
107.08585	26.8
109.10126	40.8
119.08566	44.0
121.10156	38.1
123.11700	33.0
133.06465	7.8
133.10118	27.7
135.11690	11.6
137.13254	21.3
145.10086	10.4
147.11690	11.0
149.13275	21.3
157.10060	6.7
159.11693	7.5
161.13223	8.3
163.14801	10.9
187.14859	7.4
191.17966	9.8
200.20038	10.8
283.26288	7.2
327.30475	11.2
413.34109	10.4
421.34488	8.7
422.35519	7.5
439.35571	24.2
440.35812	20.0
456.44046	21.6
457.36359	69.7
457.44080	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	457.3672
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
50.03585	1.3
51.27214	1.3
55.05497	7.9
57.07066	22.8
59.05000	1.7
67.05505	12.4
67.25835	1.6
69.07053	16.4
70.06596	14.7
71.04961	7.6
71.08611	10.6
74.09035	1.5
74.86875	1.6
75.29413	1.7
79.05469	3.3
81.07041	24.6
83.08604	10.6
85.06529	2.6
88.07600	19.0
91.05468	2.3
93.07021	19.1
95.08578	36.3
96.08931	1.7
96.74843	1.6
97.06518	2.0
97.10120	2.8
102.09160	13.4
105.06969	6.1
107.08563	24.7
109.10149	35.3
111.08064	1.7
119.08572	8.5
121.10129	23.6
123.11677	11.5
133.10115	8.0
135.08022	7.8
135.11678	12.5
137.13245	4.2
139.11214	1.9
145.10118	4.0
147.11681	8.4
149.09598	18.5
149.13235	8.7
157.10107	3.0
159.11710	4.2
161.09598	7.1
161.13200	3.6
163.11108	2.1
163.14877	2.1
171.11670	2.0
173.09573	3.5
173.13225	2.6
175.11127	3.9
175.14784	9.5
177.16360	12.8
185.13257	2.6
187.11183	6.5
187.14783	7.3
189.12741	3.2
191.17868	2.0
197.13274	2.2
200.20078	37.2
201.12741	2.6
201.16295	3.5
201.20428	10.7
203.14215	2.0
213.16280	2.1
215.14423	2.4
218.21152	3.4
229.16006	2.2
229.19441	2.9
243.17325	2.6
245.19083	7.9
255.20921	2.4
257.18939	2.4
271.20551	9.8
283.26288	30.9
284.26617	17.1
299.20462	1.6
299.23474	16.1
301.21613	3.2
313.25217	3.4
368.45697	2.0
421.34381	8.9
439.35587	100.0
456.44144	30.9
457.36328	44.3
457.44284	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	457.3673
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05495	16.8
57.07063	6.2
67.05495	19.7
69.07066	26.1
79.05479	6.1
81.07038	46.4
83.08598	18.8
91.05499	3.5
93.07015	22.8
95.08586	62.1
97.06530	5.0
97.10146	4.7
97.73857	2.9
101.21454	2.7
105.07021	18.7
107.08570	32.0
109.10126	44.6
111.08065	13.9
111.11714	2.7
111.98740	2.5
118.12897	2.5
119.08572	13.4
121.06542	3.2
121.10139	30.7
121.15005	2.9
123.07999	3.7
123.10905	2.6
123.11674	23.4
125.05996	3.2
131.08522	6.1
133.10118	18.3
135.08020	12.8
135.11674	24.1
137.09598	47.5
137.13246	24.9
139.07597	2.6
143.08568	4.4
145.10086	14.6
147.11673	4.6
149.09610	12.5
149.12157	2.8
149.13240	25.4
157.10065	5.0
159.11661	11.2
161.09587	3.5
161.13231	6.5
163.14825	12.3
165.09116	24.0
173.09535	3.5
173.13141	4.1
175.14772	5.6
177.16341	6.0
184.49818	2.4
187.14830	5.6
191.18001	5.7
199.14902	3.8
201.12802	2.7
201.16389	5.7
215.14264	3.1
217.15894	4.9
283.20462	3.3
283.23978	2.7
412.31775	3.0
421.34653	25.1
439.35724	94.3
457.36624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.39345	1.9
54.48298	1.9
55.05503	10.6
57.07065	14.9
59.20700	2.1
63.69311	1.9
67.05486	16.6
69.03408	4.7
69.07061	27.9
71.04977	4.4
71.08617	3.4
79.05460	10.8
81.07049	46.8
83.04961	2.7
83.08614	5.9
85.06535	4.2
88.07610	5.5
91.05466	3.3
93.07027	17.4
95.04935	3.0
95.08585	47.1
97.06498	4.0
97.10141	3.6
99.08077	45.8
102.09092	2.8
105.07021	11.0
107.08579	27.7
109.06484	5.4
109.10156	33.9
111.08032	2.9
119.08533	26.9
121.10126	25.5
123.08082	10.4
123.11671	19.9
124.17837	2.4
127.07523	36.2
131.08604	8.7
133.10101	10.1
135.08046	5.6
135.11694	13.7
137.09622	3.8
137.13242	11.1
143.08504	2.8
145.10107	16.5
147.08041	2.3
147.11673	15.4
149.09637	3.2
149.13240	21.7
149.99220	2.2
157.10091	3.5
159.11673	16.6
161.09627	3.9
161.13283	4.2
163.14883	17.3
169.12247	12.2
170.57637	3.0
173.13193	5.2
175.14761	5.1
177.16400	3.7
187.14818	22.6
191.17886	10.5
200.20132	11.1
201.16400	5.4
215.17856	3.2
257.22620	4.9
283.26556	9.1
284.26370	3.4
381.44879	2.5
421.34775	4.5
439.35672	100.0
451.12054	3.0
456.44098	4.4
457.36432	61.0
457.44147	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	457.3676
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
51.12889	4.6
55.05503	25.0
57.07068	51.5
60.31871	5.0
61.10825	4.6
63.84559	5.3
64.73483	4.8
67.05495	22.4
69.07056	42.7
70.06578	29.1
71.08601	6.7
79.05457	8.2
81.07040	70.8
83.08605	12.3
88.07617	37.7
91.05460	6.2
92.09460	6.2
93.07018	24.4
95.08586	95.5
102.09183	12.0
105.07026	34.9
105.78634	4.6
107.08596	45.2
109.02889	10.9
109.10152	49.2
111.04484	5.4
119.08559	33.1
121.10133	29.4
123.04418	5.0
123.11705	32.1
131.08540	10.2
133.10117	20.7
135.11679	21.5
137.13164	36.6
143.08546	9.9
145.10175	11.2
147.11633	7.0
149.13243	28.6
151.14856	5.5
157.10117	20.7
159.11728	9.5
161.13220	5.5
163.14789	12.6
171.11664	21.3
173.13225	6.8
175.14818	8.4
176.40190	5.2
177.16351	7.7
187.14790	8.8
191.17966	12.0
199.14917	5.7
200.20059	88.1
201.20453	28.8
218.21222	8.5
227.17862	6.1
229.15988	10.7
229.19606	6.9
245.36972	6.6
247.17003	11.0
283.26352	80.9
284.26709	41.9
393.34891	24.0
403.33600	6.4
411.36240	7.9
421.34671	25.0
439.35471	54.1
456.44150	55.4
457.36380	43.4
457.44333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.54627	1.9
55.01857	13.9
55.05506	17.2
57.03423	13.2
57.07058	9.8
58.49413	2.1
65.42803	2.0
67.05179	3.4
67.05489	48.9
69.07051	18.0
79.05475	34.2
79.37444	2.2
81.07044	32.8
83.08599	8.3
91.05463	72.5
91.10040	2.0
93.07027	33.2
95.04947	4.7
95.08567	20.9
97.06474	2.5
98.98446	94.3
103.05444	5.1
105.07018	54.2
107.08556	17.5
108.78819	2.3
109.10140	9.0
109.12605	2.3
115.05414	11.0
117.06222	4.0
117.07006	73.8
119.07985	2.0
119.08575	30.5
120.10236	2.5
121.06435	2.3
121.10132	13.6
125.09497	2.2
128.06183	5.4
129.05449	10.5
129.06992	31.9
130.07741	3.8
131.08543	100.0
133.10083	23.2
135.11646	9.9
141.06941	23.3
143.08525	17.8
144.09277	3.2
145.10117	61.8
147.08014	2.9
147.11726	9.4
149.09560	3.0
149.13219	2.8
153.10693	2.5
154.07819	4.2
155.01059	4.1
155.08501	15.8
157.10036	17.8
159.08041	5.2
159.11668	29.6
161.13199	2.6
165.09068	2.8
169.08801	2.9
169.10081	27.6
171.11646	15.1
173.02092	12.2
173.09605	3.7
173.13162	19.5
175.14833	3.6
183.11642	17.1
185.13219	4.2
187.11096	12.5
187.14764	13.5
189.12683	3.5
189.16368	3.3
197.13290	13.0
199.14807	3.4
201.12723	10.4
201.16365	19.2
211.14784	11.3
225.16385	10.1
241.19514	5.1
243.21083	27.4
257.18790	2.6
257.22522	14.1
267.21021	41.8
285.22058	91.5
307.01157	2.5
359.25775	21.8
457.23553	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01857	2.4
55.05503	3.8
57.03409	1.1
57.07053	2.3
61.02909	1.3
61.46465	0.9
67.05483	10.7
69.03416	11.7
69.07053	4.0
71.04974	9.2
73.02895	1.8
74.28964	0.8
79.05463	6.0
80.33170	0.8
81.03407	9.0
81.07039	5.4
85.02892	20.2
85.06520	6.6
87.00803	11.1
91.05457	6.5
93.07033	7.7
95.04933	8.3
95.08568	9.2
97.02872	9.9
97.06523	13.6
98.06836	1.1
99.04441	2.2
105.01852	6.3
105.07005	12.9
107.04932	1.0
107.08567	18.1
109.02866	5.1
109.06499	100.0
109.10134	29.5
111.08077	5.5
117.06999	4.3
119.08550	2.3
121.10125	8.3
123.08051	14.7
127.03844	9.2
131.08522	19.8
133.10101	26.2
135.08022	44.5
137.09584	7.0
145.02838	1.0
145.10106	4.1
147.11679	3.9
149.09595	14.5
149.13217	4.0
153.09055	1.5
158.10876	4.1
159.02849	2.2
161.02342	1.3
163.03900	6.4
164.04169	1.6
173.02376	1.5
173.13210	18.4
178.38614	1.1
191.14272	49.0
191.15897	2.1
204.95375	1.0
209.15314	29.7
209.17131	1.7
215.07042	1.9
218.88113	1.2
239.71573	1.0
259.09549	5.6
260.09976	1.6
377.58273	1.2
406.49844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01862	0.4
55.05505	2.4
57.03428	0.5
57.07061	0.3
59.84805	0.2
65.03939	0.3
67.05491	2.7
68.99783	0.2
69.03417	6.1
69.07066	1.8
71.04982	0.3
74.83241	0.2
79.05478	4.7
81.03401	1.4
81.06585	0.5
81.07037	7.0
83.04962	1.6
83.08599	1.1
85.02888	2.8
87.00826	1.7
91.05463	4.9
93.07028	3.2
95.04944	1.2
95.08578	1.8
97.02878	1.1
97.06497	0.9
99.04407	0.4
105.01869	1.0
105.07019	8.2
107.04932	2.6
107.08578	19.6
108.09409	0.3
109.02869	1.0
109.06505	4.5
109.10139	7.0
115.05456	1.3
117.06980	2.3
118.07784	0.4
119.06036	0.3
119.08550	3.9
121.06494	2.0
121.10122	13.2
122.07272	6.4
123.08054	1.4
127.03905	1.4
129.13127	0.3
131.08534	2.9
133.10109	100.0
135.08038	9.5
135.11650	1.3
137.09598	60.0
138.10023	0.3
143.08548	0.5
145.04897	0.3
145.10130	1.3
147.11670	1.7
149.09586	1.3
149.13237	10.0
158.10864	1.4
160.37794	0.3
163.03864	0.4
163.14777	1.7
173.13210	4.6
191.14281	32.0
209.15338	3.7
216.07304	0.3
225.57510	0.3
230.96220	0.3
421.18060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01861	1.2
55.05501	3.6
57.03418	0.5
57.07069	0.8
61.02907	0.4
67.05492	4.1
69.03419	9.0
69.07053	4.3
71.04980	1.2
73.02916	0.9
79.05481	8.0
81.03398	2.0
81.07044	8.5
81.93765	0.5
83.04965	2.1
83.08594	0.7
85.02883	4.8
87.00804	1.2
91.05454	6.1
93.07035	4.2
95.04945	2.1
95.08572	3.1
97.02856	2.7
97.06511	11.6
98.06844	2.8
105.01871	1.0
105.07029	8.5
106.98075	0.5
107.04942	3.7
107.08582	22.5
107.91238	0.4
109.02861	2.3
109.06499	4.8
109.10151	7.9
113.43075	0.5
115.05442	0.9
117.03370	0.6
117.07004	1.2
119.08566	3.6
121.06472	1.9
121.10124	12.9
122.07265	6.4
123.08051	2.3
127.03893	2.5
131.08542	2.9
133.10109	100.0
135.04405	2.2
135.08040	11.5
135.11615	0.8
136.04680	0.7
137.09596	62.8
145.02837	2.2
145.04945	0.6
145.10103	2.8
147.11664	2.7
149.09607	3.4
149.13246	9.3
151.11072	0.6
158.10878	1.0
159.11615	0.6
161.02303	1.1
163.03883	10.7
163.11169	0.8
163.14778	1.1
164.04266	5.0
165.04442	2.5
169.82578	0.6
173.02327	4.3
173.13246	5.5
191.03455	0.6
191.14273	35.8
209.15399	2.5
213.03894	0.6
215.07037	4.8
259.09653	8.5
260.10013	3.0
261.10315	3.0
277.10654	0.8
341.74310	0.5
439.15994	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01861	1.2
55.05501	3.6
57.03418	0.5
57.07069	0.8
61.02907	0.4
67.05492	4.1
69.03419	9.0
69.07053	4.3
71.04980	1.2
73.02916	0.9
79.05481	8.0
81.03398	2.0
81.07044	8.5
81.93765	0.5
83.04965	2.1
83.08594	0.7
85.02883	4.8
87.00804	1.2
91.05454	6.1
93.07035	4.2
95.04945	2.1
95.08572	3.1
97.02856	2.7
97.06511	11.6
98.06844	2.8
105.01871	1.0
105.07029	8.5
106.98075	0.5
107.04942	3.7
107.08582	22.5
107.91238	0.4
109.02861	2.3
109.06499	4.8
109.10151	7.9
113.43075	0.5
115.05442	0.9
117.03370	0.6
117.07004	1.2
119.08566	3.6
121.06472	1.9
121.10124	12.9
122.07265	6.4
123.08051	2.3
127.03893	2.5
131.08542	2.9
133.10109	100.0
135.04405	2.2
135.08040	11.5
135.11615	0.8
136.04680	0.7
137.09596	62.8
145.02837	2.2
145.04945	0.6
145.10103	2.8
147.11664	2.7
149.09607	3.4
149.13246	9.3
151.11072	0.6
158.10878	1.0
159.11615	0.6
161.02303	1.1
163.03883	10.7
163.11169	0.8
163.14778	1.1
164.04266	5.0
165.04442	2.5
169.82578	0.6
173.02327	4.3
173.13246	5.5
191.03455	0.6
191.14273	35.8
209.15399	2.5
213.03894	0.6
215.07037	4.8
259.09653	8.5
260.10013	3.0
261.10315	3.0
277.10654	0.8
341.74310	0.5
439.15994	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	456.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21564	0.1
55.98357	0.1
58.70558	0.1
79.05480	0.3
91.05481	0.2
93.07024	1.2
95.04926	0.1
103.05452	4.8
103.06094	0.2
107.04952	1.5
109.61930	0.1
120.08087	100.0
121.08439	0.3
131.04892	2.7
149.05974	1.6
166.08612	25.3
167.08954	0.2
204.14174	0.2
216.90665	0.2
273.02899	0.2
365.54846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.1
54.81440	0.1
57.03439	0.2
67.06587	0.1
69.03419	1.8
69.07056	0.8
75.50867	0.1
81.03387	0.3
85.02890	2.2
86.09694	100.0
97.02868	4.1
111.04451	0.2
115.03912	7.7
122.08406	0.1
127.03871	0.8
132.10185	43.4
145.04953	0.3
163.06009	0.2
217.21866	0.2
219.01787	0.1
236.47244	0.1
304.34012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43100	2.2
53.48499	2.1
53.48783	2.0
54.82174	2.2
55.23282	1.9
56.58789	1.8
56.96563	3.6
67.46091	2.0
69.03418	2.9
72.93771	5.7
81.03378	3.7
85.02901	5.1
90.94826	3.6
91.05474	4.4
95.78656	2.3
97.02889	13.3
97.84981	2.1
98.30192	2.3
98.97565	8.7
101.40798	2.5
109.02843	2.4
115.62119	2.7
116.73449	2.6
116.98582	9.8
117.03384	4.1
119.04916	12.1
127.36373	2.3
132.95834	15.5
135.04364	21.8
144.95876	3.8
145.02802	19.7
147.04395	32.6
150.96886	11.2
158.97354	11.6
162.96863	4.5
163.02515	3.2
163.03867	100.0
174.96870	3.2
176.98489	4.5
198.96814	4.7
216.97923	3.9
234.96846	20.4
234.99054	13.3
237.02823	5.2
252.97885	71.7
260.98492	3.6
266.95767	3.9
276.97784	4.4
290.99289	2.6
302.99539	9.7
312.97714	2.7
337.00070	2.5
367.06497	2.9
379.01001	15.4
385.07458	5.1
397.02054	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23109	0.8
53.03938	1.4
55.01863	6.6
55.05499	4.4
57.03423	1.6
58.81366	1.0
64.56212	0.9
65.03912	1.4
65.25600	1.1
67.05484	12.3
69.03423	17.6
69.07066	9.7
70.07382	1.5
71.01324	2.0
71.04962	4.1
73.02910	1.2
75.34889	0.9
79.05462	6.3
80.05788	1.1
81.03392	4.4
83.04979	1.9
85.02895	17.3
89.03887	1.1
91.05461	10.5
95.04958	21.2
95.08601	1.5
97.02876	12.4
97.06512	45.3
98.06844	9.4
99.04440	5.3
105.03342	1.6
105.07012	1.7
107.04954	1.7
109.02849	2.6
115.05435	7.3
117.03367	1.8
119.04922	21.3
119.08575	1.7
123.04397	5.8
127.03890	3.8
128.06172	1.6
129.06990	4.1
131.04913	1.3
131.08546	1.7
133.06476	5.5
135.04390	6.3
136.04738	1.4
141.06961	4.3
141.72427	1.1
143.04871	2.3
143.08513	7.4
145.02818	4.6
145.04895	1.3
147.04398	100.0
149.05977	1.4
152.06136	1.7
157.10130	2.1
159.04443	1.1
160.05165	34.6
161.02356	8.4
161.05952	96.0
162.02689	1.1
163.03882	43.8
163.05182	2.0
164.04170	7.4
165.05461	2.3
167.08501	10.9
169.06487	4.5
171.08035	4.6
173.02342	12.5
173.05891	8.9
174.02631	8.2
174.06735	2.0
175.03867	6.1
175.07524	4.2
177.05400	1.2
184.05185	4.7
185.05962	2.5
185.09572	4.6
187.07567	6.0
189.05450	6.7
189.09082	93.1
195.08022	10.5
198.06757	1.6
199.07555	1.3
201.09029	2.4
202.06163	1.9
203.06975	1.9
203.10701	1.6
207.02826	1.4
209.04446	1.6
213.09103	14.1
215.06998	33.3
215.10464	3.9
216.07373	8.5
217.08591	4.2
231.10165	10.5
233.08055	27.8
241.08458	1.3
247.36746	1.1
249.11183	2.6
259.09613	64.8
260.09982	19.9
277.10632	8.6
309.09503	1.8
391.23111	1.4
391.59921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01870	1.3
55.05504	26.1
56.05838	8.5
57.03422	1.6
57.07053	1.0
58.30334	0.5
67.05484	4.1
69.03418	14.7
69.07047	4.4
70.06573	1.2
71.01329	6.5
71.04977	1.4
73.71895	0.5
76.45585	0.5
79.05471	2.7
80.04996	1.0
81.03395	4.7
81.07043	1.5
82.06564	4.3
83.04958	4.3
83.06910	1.1
83.08603	18.8
83.41756	0.6
84.08116	1.1
84.08929	9.4
85.02881	2.9
85.06515	5.2
85.09269	0.6
91.05448	4.1
95.04962	5.5
95.08577	1.5
97.02880	7.3
97.06516	15.6
98.06824	1.4
98.09673	1.4
99.04442	6.0
99.10007	1.5
100.07613	5.7
100.11233	96.9
100.16647	0.6
101.07951	3.4
101.10999	1.8
101.11566	49.6
102.11874	7.7
106.40372	0.7
107.04961	0.9
109.02879	2.3
110.06023	3.4
111.04430	9.7
111.06358	0.7
112.04775	5.3
112.07607	1.5
113.04871	1.1
113.05984	7.6
117.03336	1.4
117.13852	0.7
119.04907	15.0
123.04417	1.2
126.09072	1.2
127.03905	1.0
127.08652	0.8
128.06284	1.0
128.07045	6.5
129.07443	1.5
131.07002	0.8
131.08592	0.8
133.02782	0.7
135.04359	3.3
139.08655	3.6
140.07043	0.7
140.08990	1.5
141.07036	1.3
142.07610	0.8
142.27522	0.6
143.05064	0.7
143.08556	0.9
145.02798	0.8
147.04387	67.4
149.05891	0.9
152.06229	1.1
157.06494	0.9
157.10107	0.9
159.04388	0.8
160.05186	4.5
161.02315	3.7
161.05954	15.3
163.03877	21.7
164.04216	0.8
165.05447	1.1
167.08525	3.8
169.06544	0.9
171.08047	1.2
173.02319	3.3
173.05991	4.1
174.02664	1.3
175.03925	1.6
182.15350	19.8
183.15720	18.3
184.05193	1.1
184.15959	12.8
185.05965	2.6
185.09557	1.2
187.07489	1.4
189.09076	17.6
192.13808	0.7
195.07983	4.0
198.06654	0.8
200.04745	0.7
201.09137	0.8
203.10771	0.9
207.02832	0.9
209.16431	15.6
210.14845	12.5
210.16827	20.4
211.15190	19.4
211.17085	11.4
212.15416	13.1
212.17322	1.2
213.09065	5.8
213.15755	1.2
215.06993	11.3
216.07411	3.3
217.08594	2.6
226.19066	5.3
227.06818	0.7
227.19418	4.9
228.19733	2.6
231.10153	2.9
241.08562	1.0
259.09595	44.0
260.09955	4.9
277.10690	3.1
309.09564	2.4
326.27823	1.0
327.28290	2.5
328.28577	4.1
329.28622	0.7
337.23227	1.0
338.23398	2.8
385.49243	0.6
419.32806	0.9
437.33798	17.4
438.33963	5.7
455.34845	100.0
456.35086	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	456.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.1
53.03928	0.2
53.81452	0.1
55.05520	0.2
57.03420	0.7
59.81660	0.1
61.02908	0.1
63.02351	0.1
69.03415	3.3
71.04982	0.2
72.55804	0.1
73.02881	0.1
79.05469	0.7
79.82609	0.1
81.03396	1.0
83.04958	0.6
85.02885	0.9
89.03896	3.7
91.05430	0.1
92.08674	0.2
92.25541	0.1
95.04964	0.2
97.02872	4.8
99.04414	0.2
107.04938	2.1
109.02863	0.2
109.10134	0.2
109.76657	0.1
115.03908	4.5
117.03362	6.0
121.53843	0.1
127.11197	0.2
135.04395	16.6
136.04756	0.5
145.02831	14.2
146.03122	0.5
163.03876	100.0
164.04205	3.6
169.06445	0.1
181.04953	0.6
215.06975	0.2
216.07304	0.2
249.42513	0.2
259.09741	0.2
260.09894	0.2
263.50171	0.2
272.67505	0.1
307.07834	0.2
313.18765	0.1
321.96381	0.1
325.09131	3.1
329.43619	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	456.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.81850	0.1
55.05505	0.2
56.54543	0.1
56.93499	0.1
57.03432	0.4
58.59189	0.1
59.05569	0.1
61.84370	0.1
62.23911	0.2
63.02372	0.3
65.03915	0.2
67.05490	0.3
69.03416	4.2
69.07048	0.2
71.04965	0.2
79.05490	1.5
80.04972	0.2
81.03408	0.7
81.07033	0.8
83.08623	0.2
85.02892	1.7
85.06528	0.2
89.03897	5.3
90.99172	0.2
91.05460	2.3
95.04909	0.3
95.08575	0.7
97.02876	4.0
97.06516	1.3
98.06055	0.2
99.04465	1.3
107.04944	2.5
115.03910	3.0
117.03368	8.4
119.04921	10.9
124.07529	0.3
127.03949	0.3
135.04399	22.4
144.97276	0.2
145.02835	16.7
147.04395	53.3
148.04654	0.2
158.53336	0.2
160.15126	0.2
163.03880	100.0
164.04230	0.7
165.05469	0.9
215.07014	0.9
216.07353	0.3
223.17027	0.2
231.74123	0.2
241.17899	0.4
259.09705	1.2
260.09982	0.3
276.96637	0.2
309.09637	3.5
314.81564	0.2
325.09091	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	455.3517
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
50.25545	1.9
54.60368	2.0
55.05498	13.3
57.07063	9.7
60.72342	2.1
67.05489	13.9
69.07043	21.7
71.77222	2.4
79.05486	4.6
81.07037	38.8
83.08580	6.0
91.05472	5.1
93.07008	19.4
95.08594	61.7
105.06986	18.8
107.08569	34.6
109.10150	39.5
109.70211	2.7
119.08582	19.9
121.10120	40.5
123.08038	4.1
123.11687	28.4
131.08514	4.4
133.06447	3.9
133.10103	13.2
135.08131	4.4
135.11691	22.3
137.13243	13.8
143.08562	3.0
145.10100	6.0
147.07961	3.5
147.11682	5.3
149.13219	12.5
156.09373	2.5
157.10127	3.8
159.08022	2.7
159.11716	5.0
161.09590	10.6
161.13254	5.4
163.07574	3.1
163.14825	3.2
169.10217	3.0
171.11674	3.9
173.09529	3.1
173.13255	4.4
175.11136	5.7
175.14748	5.3
177.11238	2.7
177.16402	2.8
180.55560	2.8
187.11130	3.5
187.14850	10.8
189.12677	4.9
191.17897	41.2
195.11830	3.0
199.11192	3.9
201.16357	2.7
203.14313	3.9
211.14684	2.9
239.17856	2.7
241.19466	3.5
249.14816	4.4
279.54922	2.5
281.19186	3.6
351.26831	2.9
367.29950	4.9
419.32932	22.1
437.34082	100.0
455.29428	4.2
455.35046	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57632	0.1
53.03932	0.4
55.01844	0.1
55.05501	0.6
57.03434	1.0
68.38292	0.1
69.03413	3.7
70.06570	0.2
71.01317	0.2
71.04973	0.3
71.19371	0.1
79.05464	0.3
81.03392	1.4
83.04959	0.6
85.02884	1.4
85.06531	0.2
89.03896	3.7
92.09359	0.3
97.02870	6.9
99.04423	0.7
101.02316	0.2
107.04921	1.6
108.58999	0.2
109.02863	0.3
109.10123	0.2
113.05978	0.5
115.03902	1.4
117.03355	5.6
127.03892	0.7
134.82770	0.2
135.04395	15.1
136.04727	0.3
145.02832	14.1
146.03166	0.4
147.04381	0.8
148.04796	0.2
157.87083	0.2
163.03876	100.0
164.04172	2.1
169.06461	0.2
181.04913	0.9
187.07561	0.2
197.05971	0.2
215.07019	0.3
216.07503	0.2
259.09583	0.3
305.59183	0.1
307.07996	0.7
325.09097	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	455.3519
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.01867	2.0
55.05503	9.3
57.03426	1.6
57.07063	2.5
65.72436	1.4
67.05502	9.0
69.07059	11.4
71.04970	6.7
71.08631	3.0
79.05487	8.6
81.07035	20.8
83.05003	1.3
83.08609	8.1
85.06522	2.0
91.05461	6.9
93.07024	12.0
95.04969	1.8
95.08589	24.0
97.06503	2.4
97.10208	1.8
99.04462	3.4
105.07011	11.2
105.35531	1.3
107.08591	18.2
109.06525	3.1
109.10168	13.3
111.04458	2.0
111.08038	1.9
119.08563	14.6
121.06561	1.6
121.10117	15.0
123.08057	6.3
123.11717	9.6
127.11196	1.6
131.08548	2.3
133.10114	9.5
135.08020	17.2
135.11711	8.2
137.09653	2.1
137.13268	5.8
145.10143	9.5
147.08017	1.7
147.11696	7.6
149.09654	9.4
149.13242	6.8
151.07578	1.7
155.14272	1.9
157.10143	5.9
159.08075	2.1
159.11693	2.8
161.09662	1.8
161.13240	6.2
171.11665	2.3
173.09621	2.0
173.13280	3.6
175.11176	2.3
175.14810	2.4
183.11742	2.1
185.13300	3.1
187.14771	3.0
189.16359	3.5
197.08086	8.8
197.13280	1.8
201.12730	2.3
227.17986	1.7
245.18892	2.2
245.86887	1.4
273.22098	2.4
294.30310	1.4
317.21121	1.6
437.33978	11.8
455.35202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	32.1
57.07059	7.9
67.05488	50.7
67.96491	3.4
69.07055	62.1
72.75785	3.8
76.13532	4.2
79.05460	19.2
81.07038	100.0
82.14164	3.5
83.08598	22.8
91.05451	24.1
93.06544	3.3
93.07043	39.3
95.04948	8.1
95.08585	87.8
97.10134	7.1
99.37727	3.6
105.07006	49.1
107.08581	53.6
109.10139	54.3
111.08095	3.8
117.07009	5.3
119.08582	35.1
121.06491	16.0
121.10156	28.2
123.08080	6.8
123.11697	22.8
123.38276	3.5
128.06178	4.5
131.08556	25.7
133.10101	27.8
135.08028	25.4
135.11665	19.7
137.13229	17.8
143.08563	29.4
145.10106	24.0
147.08051	8.9
147.11684	9.2
149.09598	5.5
149.13304	6.9
155.08546	7.1
156.09335	5.2
157.10103	18.0
159.11667	16.9
161.09587	22.0
161.13271	4.4
163.14830	6.4
165.12660	4.8
167.14297	59.4
169.10014	6.4
171.08107	5.0
171.11676	18.8
173.09589	6.8
173.13231	9.1
175.14775	6.4
177.16290	7.3
183.11688	5.2
191.17863	4.3
195.11612	5.4
199.14787	5.6
201.16373	6.6
211.14687	4.9
214.22723	3.8
255.20964	5.6
269.19077	15.1
308.56934	4.2
455.35147	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05511	12.3
57.07080	3.5
67.05498	16.6
69.07049	22.3
71.83909	2.6
79.05495	5.2
81.07040	45.8
83.04973	6.9
83.08605	11.2
85.39819	3.5
91.05450	4.8
92.08684	5.8
93.07035	20.3
95.08586	49.6
105.07024	28.5
107.08572	31.4
109.10136	28.6
119.08552	20.7
121.10133	25.2
123.11687	15.3
131.08543	5.5
133.10115	23.4
135.07979	3.8
135.11684	19.9
137.13272	7.1
145.10144	6.9
147.08041	4.2
147.11688	12.5
149.09636	3.9
149.13246	11.1
157.10062	4.2
159.11682	12.8
161.09631	5.7
161.13254	11.8
163.07446	3.4
163.14828	13.4
165.21451	3.1
173.09703	6.3
173.13272	4.3
175.14842	28.9
177.16435	6.5
187.11171	5.4
189.12729	4.2
189.16399	12.2
191.17940	7.1
201.12758	14.2
203.14186	4.1
203.18042	3.1
217.15918	11.4
219.17450	12.9
233.15419	11.9
235.16922	4.0
245.19006	12.9
251.16405	4.2
257.18936	54.7
299.20062	6.5
317.66193	3.0
367.26071	4.6
377.93967	3.1
395.33069	39.7
409.34866	3.1
437.34171	49.8
438.63943	3.6
455.35114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40934	0.2
53.03928	0.6
55.05499	1.0
57.03425	0.3
62.87070	0.2
69.03413	10.3
69.32513	0.2
71.01338	0.3
71.04961	0.4
79.05471	1.5
81.03394	3.4
81.22176	0.2
83.04974	2.7
85.02896	2.2
85.06486	0.4
89.03899	4.7
91.05430	0.3
95.04974	0.3
97.02870	12.3
97.06497	1.4
99.04427	2.5
107.04935	2.3
109.02845	1.3
113.05964	0.2
114.42901	0.3
117.03345	8.0
127.03903	1.0
135.04384	18.4
145.02827	14.3
145.03802	0.4
153.12749	0.3
153.13937	0.3
160.75290	0.3
161.02312	0.3
161.05980	0.6
163.03867	100.0
164.04051	0.7
169.06435	0.4
181.04929	1.0
181.72536	0.3
189.09023	0.3
201.21739	0.2
215.07054	1.9
259.09586	2.1
307.08109	1.0
310.49689	0.3
325.09119	5.5
423.12793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
54.81344	1.0
55.05512	8.2
55.96247	0.8
57.07066	6.1
57.41225	0.8
67.05499	8.9
69.07058	10.1
79.05475	2.8
81.07045	31.7
83.08614	2.6
91.05468	4.7
93.07034	11.0
95.04970	1.6
95.08585	32.5
105.07024	10.1
107.08579	26.3
109.02843	1.8
109.06522	5.3
109.10154	24.7
117.07008	1.4
119.04910	2.0
119.08566	10.3
121.06516	5.3
121.10129	44.8
123.08067	2.3
123.11691	46.1
131.08566	6.2
133.06496	2.6
133.10132	6.3
135.08060	5.6
135.11708	8.0
137.09648	2.3
137.13254	31.3
143.08548	2.1
145.06532	1.5
145.10094	8.1
147.08058	1.8
147.11700	2.5
149.13246	38.4
151.05029	1.3
151.14809	2.5
157.10152	4.7
159.08101	4.8
159.11745	4.7
161.09633	1.7
161.13272	8.0
163.14825	5.7
169.10062	2.7
171.11647	2.3
173.09659	6.7
173.13222	1.8
175.11266	2.5
177.09032	1.2
177.16351	1.5
179.14333	4.4
181.10161	1.4
183.08162	1.4
185.13283	2.3
187.11188	4.5
187.14726	1.6
189.16415	4.5
191.18056	1.5
195.11646	1.4
197.09689	1.5
197.13274	1.3
199.14853	2.6
201.09138	1.9
201.16335	2.4
205.16028	1.3
207.17500	1.5
209.13367	1.5
211.11180	1.6
213.12704	1.6
225.16405	1.4
231.17458	1.9
241.15887	3.7
243.17502	4.4
245.18961	4.0
247.16995	1.7
255.17485	1.2
257.18982	10.8
261.18512	1.2
269.19067	2.4
271.20828	1.2
273.18463	18.1
281.19052	13.7
283.20685	2.5
297.22238	1.8
299.20020	6.7
313.21552	2.1
314.84494	1.2
321.22153	2.2
361.29080	1.8
379.30060	11.7
419.33072	12.7
437.34241	20.4
455.35208	100.0
458.62689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88699	0.5
53.00289	0.8
53.03946	1.3
55.01871	4.8
55.02082	0.5
55.05514	5.9
55.09261	0.5
55.69419	0.6
57.03432	1.2
59.35069	0.7
62.88765	0.5
67.05507	5.0
69.03415	4.1
69.07062	20.0
69.07443	0.7
69.42457	0.5
71.04969	1.3
79.05480	14.2
81.03414	2.5
83.08622	2.3
85.02914	4.6
85.96452	0.6
89.03905	6.5
91.05457	2.6
93.07054	2.6
95.04971	3.0
95.08604	0.9
97.02880	1.4
97.06520	73.0
98.55013	0.6
99.04426	2.7
100.11243	8.5
101.11572	2.3
105.07013	14.8
107.04963	3.0
109.02879	3.2
111.04450	1.3
117.03368	11.6
117.93270	0.6
119.08565	1.3
121.06509	0.7
125.33186	0.7
127.03897	2.5
131.08508	0.8
133.02795	0.8
133.06410	0.7
133.10112	9.6
134.03629	8.3
135.04405	23.2
137.06140	0.7
141.06888	0.6
145.02846	20.2
145.03944	1.2
145.10165	0.8
147.04494	0.8
149.02351	4.2
159.04449	1.0
161.02354	6.6
161.09625	6.5
161.23109	0.5
163.03888	100.0
163.11143	2.3
165.12737	0.9
165.25226	0.5
173.02321	13.7
175.03841	0.6
175.07423	0.7
179.10706	2.9
182.15404	3.2
209.16359	0.8
215.07021	16.6
241.08711	1.0
259.09634	74.9
269.11462	0.7
445.34167	0.9
454.34656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01856	1.1
55.05488	0.5
57.03410	1.5
65.01727	0.3
67.46244	0.2
69.03413	4.0
69.07037	0.4
71.01326	0.4
71.04978	2.0
73.02879	0.2
79.05464	1.6
81.03404	2.1
81.07025	3.6
82.07384	0.5
85.02888	4.1
87.00793	0.5
89.03890	5.3
91.05437	0.5
93.07012	2.2
95.04972	0.4
95.08573	0.3
97.02277	0.3
97.02871	6.7
97.06485	0.6
99.04436	0.5
105.01860	0.4
107.04944	2.3
107.08576	1.8
109.02821	0.6
109.10126	0.4
115.05460	0.9
117.03355	8.3
119.04884	0.4
119.08561	0.5
121.10056	0.3
123.01551	0.3
127.03880	1.2
131.04926	0.3
131.08495	0.4
135.04391	21.8
135.11679	1.8
136.12004	0.5
141.06963	1.8
145.02827	16.1
145.06448	0.6
147.04393	1.4
153.09055	0.4
153.12737	4.2
154.13043	1.1
159.04462	0.5
159.08012	1.4
161.05960	2.5
163.03870	100.0
164.04132	0.4
167.08516	0.5
169.06448	4.7
171.08012	0.4
173.02321	0.4
173.05980	1.0
175.03860	1.7
175.07480	0.6
181.04919	0.5
185.09621	0.3
187.07533	3.7
189.05481	1.1
189.09161	0.5
195.08026	0.5
197.05949	3.6
198.06723	0.5
200.04654	4.3
213.09180	0.4
215.07001	9.0
217.08484	0.4
239.12982	0.3
241.08578	0.4
259.09622	8.9
307.08081	0.4
325.09113	4.8
453.22467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.7
54.90406	0.4
55.01864	3.1
55.05508	0.4
63.64555	0.3
66.79196	0.4
67.05505	2.6
69.03408	0.6
69.07057	24.3
77.04829	0.3
79.05477	6.5
83.04958	0.5
85.02895	0.5
86.33118	0.4
89.03909	6.2
95.04958	0.6
97.06513	25.8
98.84360	0.4
107.04920	4.5
117.03368	12.6
133.02849	0.7
134.03613	6.2
135.04401	28.7
145.02831	22.3
161.02328	2.0
162.03096	0.9
163.03880	100.0
173.02322	2.2
210.37303	0.4
215.06961	1.9
241.08723	0.5
254.12920	0.3
259.09616	54.2
288.39432	0.4
336.77310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90444	0.3
53.03931	0.4
57.03430	0.7
69.03413	3.6
71.04970	0.4
79.05474	0.7
81.03394	2.1
83.04935	0.7
85.02880	2.3
87.00816	0.4
89.03894	5.4
91.05457	0.4
97.02870	1.7
99.04435	1.4
107.04935	2.4
109.02879	1.6
111.04427	0.6
114.83740	0.3
117.03355	9.3
121.92433	0.4
127.03893	1.4
131.04926	0.4
134.21442	0.4
135.04398	24.3
137.02325	2.3
139.03880	0.5
145.02838	15.6
147.04391	0.8
153.09084	0.4
163.03882	100.0
173.05978	0.6
178.04945	5.9
179.05301	3.3
189.12703	2.0
201.05559	0.4
206.04448	6.1
207.04825	3.3
215.07025	0.9
239.08803	0.5
279.82913	0.5
293.09872	1.6
325.09097	4.3
364.51187	0.4
455.10910	1.7
455.16040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80061	0.1
53.00304	0.1
53.03930	0.7
55.01878	0.1
55.05491	0.7
57.03419	0.3
63.02354	0.2
69.03416	6.3
69.07051	0.2
71.01344	0.3
71.04959	0.5
72.76703	0.1
73.71120	0.1
79.05488	1.3
80.38220	0.1
81.03400	4.3
81.07040	0.2
83.04967	1.5
85.02891	1.5
87.04431	0.1
89.03902	5.9
89.04456	0.2
90.39441	0.1
93.07004	0.1
95.04974	0.2
97.02875	7.5
97.06511	0.8
99.04431	1.6
99.08114	0.1
105.01819	0.1
107.04929	2.1
107.08576	0.2
109.02869	0.9
109.10183	0.1
113.05969	0.2
117.03366	8.5
121.10126	0.1
122.33532	0.1
123.04379	1.0
127.03915	0.8
135.04395	22.4
145.02835	14.7
145.03792	0.4
147.04440	0.2
161.02275	0.2
161.05966	0.1
163.03879	100.0
167.08553	0.2
169.06474	0.2
173.02359	0.1
181.04892	1.8
187.07463	0.1
195.08075	0.2
206.04575	0.1
215.06999	1.0
259.09625	1.2
307.08081	2.0
325.09100	3.8
348.28357	0.1
423.12817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65704	0.3
77.38726	0.3
78.95621	0.5
80.03536	0.3
84.17047	0.3
96.92249	3.3
98.91903	0.4
112.89595	100.0
114.89333	1.5
125.08211	0.4
153.71706	0.4
154.55009	0.4
161.02962	1.8
164.93021	1.5
169.03468	0.4
180.90385	14.6
186.91051	0.4
187.04482	0.5
196.87805	1.6
198.87610	0.6
202.88631	0.4
212.85139	2.2
215.03902	0.4
216.94858	0.7
220.89534	0.8
238.86278	3.7
275.06110	0.8
293.43515	0.4
303.05377	0.4
304.83365	0.7
315.57541	0.4
368.80151	0.4
381.07721	0.8
396.89261	0.4
455.11566	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01857	0.2
55.05500	0.2
57.03432	0.2
61.79014	0.1
62.25398	0.1
63.02372	0.2
63.35556	0.1
67.05474	0.2
69.03421	2.6
69.07056	0.2
69.77514	0.1
71.01342	0.2
71.04959	0.2
79.05450	1.1
79.11004	0.1
81.03397	0.5
83.04950	0.9
85.02891	0.6
89.03899	5.4
91.05449	0.2
93.14745	0.1
95.04941	0.3
97.02872	2.4
97.06515	1.2
99.04454	0.5
107.04941	2.5
109.02863	0.2
111.44865	0.1
112.37325	0.2
113.06006	0.2
117.03362	9.6
118.37707	0.1
123.04414	0.3
127.03912	0.2
128.39767	0.1
135.04401	22.6
135.92320	0.2
141.06978	0.3
145.02838	16.0
145.03848	0.5
147.04378	0.8
160.05197	1.1
161.02318	0.2
161.05957	3.5
162.02991	0.1
163.03880	100.0
164.04062	0.2
167.08614	0.2
171.08182	0.2
173.02361	0.2
175.03844	0.2
181.04932	0.3
189.09073	2.8
195.08000	0.3
197.57301	0.2
204.83627	0.1
213.09094	0.3
215.06993	2.2
217.08549	0.6
231.10011	0.2
257.62555	0.1
259.09628	2.6
325.09143	2.2
353.83990	0.1
354.97772	0.2
403.34692	0.2
425.29303	0.2
468.60501	0.2
470.99249	0.2
476.90222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52359	0.9
55.05501	6.0
57.07071	48.9
59.04961	0.9
67.05496	1.2
69.07045	5.2
71.08620	26.0
73.06538	5.6
75.43354	1.0
81.07057	1.6
83.08615	3.9
85.10174	26.0
85.63938	1.0
87.04464	2.4
89.06017	100.0
92.09382	3.8
93.07003	1.1
94.78437	0.9
95.08592	3.9
97.10155	4.4
98.98430	2.1
99.11715	1.9
107.07055	6.1
109.10148	1.6
117.09161	1.9
133.08597	29.4
155.00949	1.1
155.18027	1.2
166.67514	1.1
174.89644	1.0
177.11182	10.4
199.20612	1.6
209.57982	1.0
239.14708	1.3
243.23122	8.3
283.17435	13.5
287.25699	4.5
339.28970	2.5
437.34683	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	455.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05487	2.2
57.03412	3.1
63.73463	1.6
67.05471	3.0
69.03413	9.9
69.07043	12.3
69.32200	1.5
71.04991	1.5
72.01573	1.7
79.05472	10.4
81.07023	2.6
85.02896	8.9
85.65526	1.9
87.00808	2.2
89.03899	3.6
91.05473	3.6
92.09321	4.5
95.04954	3.1
95.08563	2.9
97.02880	4.3
97.06512	57.0
99.08057	2.0
100.11222	2.3
105.07007	2.2
107.04983	1.8
109.02905	1.9
111.04430	2.8
115.25742	1.8
117.03388	4.1
119.04958	7.1
119.08613	2.2
127.03957	2.9
135.04376	8.3
137.05960	2.3
141.06973	2.2
144.95790	2.4
145.02856	9.7
147.04381	20.6
148.04778	1.8
153.12700	1.9
155.32327	1.6
159.04401	7.1
161.02307	20.3
161.05974	16.0
163.03882	49.8
167.08505	2.2
171.13651	1.9
173.02301	27.1
187.07521	3.5
189.05505	3.9
189.09062	8.3
215.06990	39.8
231.10223	1.9
241.08638	2.7
259.09586	44.0
307.04672	2.7
335.05258	4.2
419.07355	2.0
437.08252	30.5
455.09427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.38925	0.7
55.05500	4.5
57.03434	8.0
57.07071	40.9
62.06080	23.8
66.42954	0.8
67.05492	6.1
69.07057	8.0
70.65514	0.7
71.08251	0.9
71.08620	25.9
71.44360	0.8
79.05409	0.8
81.07054	10.4
83.08598	5.9
85.10182	11.4
88.84025	0.9
89.06046	0.8
92.09330	1.8
95.08591	12.4
95.68417	0.7
97.10163	3.5
98.98457	9.8
99.11695	1.0
107.94855	0.9
109.10158	6.7
123.11731	1.2
124.01591	1.9
139.37776	0.9
145.08789	0.9
147.50220	0.9
155.01030	4.8
155.79680	0.9
216.06351	1.9
239.23611	1.6
282.27887	14.3
313.27335	100.0
349.65509	0.9
393.24051	6.1
395.56110	1.0
436.28052	5.3
454.29065	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.38684	2.6
50.92406	3.0
55.05502	24.7
56.52919	3.2
57.03419	3.7
57.07068	6.3
62.83096	3.4
67.05485	13.9
69.07050	15.1
69.30517	3.2
79.05478	8.0
81.07039	35.7
83.08595	5.9
89.06012	96.2
91.05453	7.3
93.07021	18.9
95.04942	5.2
95.08573	31.6
96.06703	3.0
97.10197	3.7
104.80457	3.1
105.07001	29.2
107.08578	19.2
109.06535	6.7
109.10143	22.8
112.70570	3.4
113.05982	6.7
119.05305	3.5
119.08567	29.1
121.10110	25.0
123.08007	5.6
123.11700	8.1
129.06989	3.0
131.08557	8.4
133.08609	19.1
133.10121	17.3
135.08032	4.4
135.11702	14.8
137.09599	6.4
143.08519	7.2
145.10081	5.7
147.08061	6.5
147.11658	7.6
149.09583	4.8
149.13248	4.2
156.16791	3.3
157.10010	4.9
159.11670	5.9
161.09575	7.9
161.13293	7.2
163.11169	4.6
163.14757	7.0
173.09636	3.7
177.16379	3.6
187.11363	3.3
189.12862	4.2
207.15791	3.3
224.75996	4.0
239.14836	41.3
240.15115	13.6
260.76596	3.8
279.17532	3.8
341.28351	3.5
435.32483	27.2
453.27753	5.3
453.33533	100.0
475.02383	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	454.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.53479	0.3
55.01847	0.6
56.96552	1.3
57.03417	0.5
61.02903	0.4
68.99790	0.5
69.03423	4.2
71.04955	0.8
71.94669	0.3
73.02895	0.7
81.03408	6.0
85.02894	6.8
87.00797	2.9
92.08746	0.5
95.04907	0.5
97.02887	2.8
99.04423	1.9
105.01867	1.3
109.02871	5.1
111.04421	0.7
119.04832	0.3
127.03899	5.6
129.01810	0.5
132.04443	7.7
133.30666	0.4
135.04381	1.8
137.06052	0.4
139.03893	0.7
145.02858	0.6
145.04980	1.4
153.09085	0.5
159.02866	2.0
160.03833	0.4
163.03882	5.6
178.04970	90.9
183.71606	0.3
206.04466	100.0
207.04771	0.4
215.17378	0.3
239.32544	0.3
252.97769	0.6
256.02155	0.5
273.02710	0.7
454.09738	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.3
53.03930	0.9
55.01868	1.5
55.05496	3.7
57.03421	2.4
57.07044	0.8
58.97430	0.6
59.04976	2.7
61.02899	0.6
61.56511	0.5
64.83851	0.6
67.05499	2.3
69.03416	8.9
69.07054	6.8
71.04977	34.0
73.02882	0.5
73.06525	8.9
79.05475	10.5
81.03403	3.4
81.07042	46.7
83.08604	1.1
85.02890	14.6
85.06513	0.8
87.00810	4.4
89.03901	3.6
91.05450	3.6
93.07026	26.1
95.02516	0.7
95.04928	1.0
95.08572	5.3
97.02885	10.2
97.06511	4.0
99.04413	1.5
101.02404	0.6
105.01839	9.0
105.07021	1.1
107.04934	4.0
107.08573	22.0
109.02876	2.7
109.06463	1.3
109.10133	4.0
111.04422	1.3
111.08058	2.4
115.58438	0.5
116.45278	0.6
117.03355	5.3
119.08582	2.2
125.09606	1.5
127.03891	6.6
127.07479	1.1
135.04402	14.7
135.11682	36.6
136.48462	0.7
139.03897	6.4
140.39001	0.6
141.06999	1.1
145.02853	12.9
145.04904	0.7
149.05978	1.0
153.12727	100.0
156.57497	0.7
159.02942	0.9
163.03879	69.3
169.06429	3.5
171.10190	0.9
175.03897	1.0
178.04915	1.0
181.04903	0.8
189.09079	0.6
191.06976	0.9
197.05954	1.5
200.04646	2.4
206.04504	1.2
213.05537	1.2
215.07018	5.1
231.04938	2.4
239.12686	2.5
249.06024	3.3
259.09567	4.9
260.69272	0.7
267.38184	0.8
275.09274	1.1
279.78448	0.6
325.09137	3.3
454.13672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.0
54.81816	1.0
55.01870	1.3
55.05505	37.9
57.03428	22.2
57.07077	7.9
67.05148	2.7
67.05495	72.4
69.07054	37.4
71.04982	1.9
71.08607	1.6
79.05473	19.7
81.03424	1.3
81.07040	78.3
82.13456	1.1
83.04951	2.0
83.08599	18.7
89.06007	1.2
91.05470	13.3
92.09414	2.7
93.07021	19.9
95.08583	56.4
97.06493	4.6
97.10149	7.3
98.98445	66.5
105.07011	8.2
105.71117	1.2
107.08598	10.6
109.06474	1.8
109.10146	23.6
111.07965	1.2
116.99503	1.9
119.08559	6.8
121.10093	9.5
123.11717	7.9
133.10085	8.6
135.11620	4.6
137.13210	2.3
139.29498	1.2
147.11658	5.1
149.13220	2.7
155.00999	17.9
158.96848	1.1
161.13266	2.4
163.14789	1.4
164.18182	1.1
173.02005	2.8
173.70117	1.3
183.82550	1.1
195.23534	1.4
195.71887	1.1
245.22647	7.5
263.23660	14.4
291.85989	1.3
337.27304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01863	1.3
55.05503	9.5
57.03430	21.7
57.07055	1.4
58.26839	0.8
58.52060	0.8
61.02914	5.7
67.05144	1.3
67.05491	34.0
69.03410	3.6
69.07058	12.0
71.01337	4.1
71.04963	4.4
73.02897	1.9
79.05479	29.3
81.03395	4.9
81.07035	22.9
83.04961	9.2
83.08623	1.3
85.02876	7.0
85.06516	7.2
91.03908	1.4
91.05466	11.2
93.07020	41.4
95.04942	3.5
95.08583	12.9
97.02869	3.4
97.06522	13.9
97.10138	10.1
99.08077	1.3
105.07010	3.2
107.04887	1.0
107.08577	26.7
109.10136	8.6
111.08096	1.0
117.07001	4.1
119.08566	5.7
121.10130	8.5
123.11669	2.8
125.09587	1.3
127.03921	1.2
131.08542	1.5
133.02806	1.0
133.10165	2.9
135.07996	1.4
135.11676	48.6
137.09610	0.9
145.10120	9.7
151.11310	0.9
161.34564	0.8
163.03891	4.1
163.11171	7.9
164.04164	1.0
173.13295	1.8
174.02641	0.8
177.16489	1.4
181.12207	8.6
191.14157	1.3
193.04939	1.0
207.02904	6.4
208.03185	4.5
209.15282	1.9
216.07353	2.0
237.14619	0.9
237.18530	1.4
237.53033	0.9
255.15858	100.0
259.09622	4.5
260.09985	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.0
53.48658	1.3
55.01869	15.7
55.05496	7.0
57.03420	9.6
57.07061	1.9
58.71620	1.3
59.04982	9.3
59.16679	1.4
61.02915	8.6
61.86356	1.2
64.17448	1.4
67.05172	1.3
67.05488	12.1
67.15919	1.4
68.99776	7.5
69.03064	3.0
69.03413	50.7
69.07048	9.7
69.58973	1.4
71.04975	33.2
73.02515	1.7
73.02898	12.5
79.05475	16.2
80.07482	1.4
81.03397	47.4
81.07038	64.7
83.04973	9.6
83.08583	2.2
85.02890	100.0
85.06516	8.2
87.00814	44.0
87.04448	3.4
91.03925	2.7
91.05436	3.1
92.09277	2.6
93.07024	14.5
95.04929	7.2
95.08577	16.2
97.02880	34.8
97.06488	12.8
99.04422	19.4
99.08052	1.9
105.01848	21.5
105.07018	8.9
107.04967	3.6
107.08579	19.3
109.02872	38.1
109.06483	7.3
109.10143	27.2
111.04422	1.7
111.08026	2.8
113.06000	6.4
117.01835	7.4
119.08582	3.3
121.10125	2.3
123.04431	3.0
123.08041	2.3
123.11673	21.7
125.09629	7.1
125.13233	1.9
127.03899	49.1
127.11159	6.6
129.01852	3.3
131.08559	1.9
133.10129	9.1
137.02316	2.7
137.06004	1.8
139.11148	6.8
141.06990	2.5
143.10687	2.0
145.04926	17.9
147.02844	2.3
151.11168	25.8
157.12303	2.0
159.02856	21.9
159.11665	1.7
163.03889	6.7
169.06340	2.1
169.08493	1.5
169.12204	74.4
169.15849	2.7
173.05946	1.5
187.13242	33.5
188.07892	2.1
197.05966	3.4
198.06322	12.1
215.06978	2.7
216.07288	2.5
225.05367	3.8
226.05742	2.6
231.04895	8.6
237.14798	3.5
243.06407	3.1
244.06802	3.5
254.05426	3.9
255.15842	2.2
271.05963	18.8
272.06259	32.9
289.07129	3.3
290.07346	11.7
452.21201	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	451.3031
Annotation	Chaksine
Peak:m/z	Relative Intensity
53.82279	4.9
54.96321	4.4
55.63406	5.1
57.07072	9.0
64.56926	5.0
69.07067	8.5
92.08683	21.9
103.38051	5.1
108.53477	5.9
132.17458	5.5
135.04953	5.2
154.80309	5.2
275.08597	6.2
451.30301	100.0
470.72406	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	451.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19984	12.4
53.77589	13.0
54.81691	15.5
55.05502	33.3
57.07058	24.6
67.05468	20.6
69.07040	31.9
70.27370	13.3
71.08604	18.3
79.05484	21.4
81.07032	100.0
83.04950	14.4
87.04443	32.7
89.05988	17.1
93.07040	36.5
95.08578	88.4
97.06493	15.9
105.06989	26.9
107.08549	33.6
109.10136	20.7
119.08498	26.6
121.10129	15.3
123.11694	16.2
126.39208	15.1
131.08598	15.1
133.10089	37.8
135.11688	16.8
143.07001	76.0
147.11682	23.3
159.11687	22.6
173.13330	18.9
189.71434	16.3
208.42236	17.2
286.82886	18.0
404.37991	19.1
433.36493	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.7
53.03941	4.8
55.01872	5.9
55.05504	8.9
57.03433	6.1
57.07072	5.1
59.83902	0.6
61.02907	2.8
64.07127	0.7
67.05495	11.2
68.99770	1.6
69.03067	1.1
69.03416	23.7
69.07057	20.1
70.06548	0.8
71.04980	6.3
72.08154	0.8
73.02897	4.0
79.05470	4.9
81.03410	14.8
81.06596	1.4
81.07042	28.9
83.04967	1.0
83.08602	11.5
85.02890	52.3
85.06535	3.8
87.00813	26.9
91.03915	0.9
91.05474	5.9
91.49348	0.7
93.07024	42.6
95.04967	3.0
95.08588	19.3
97.02869	26.2
97.06520	5.5
99.04432	9.0
99.08081	1.4
105.01858	22.1
105.07005	8.6
107.04891	1.2
107.08580	90.4
109.02863	12.8
109.06509	1.4
109.10150	26.0
111.08081	5.9
113.05997	1.1
115.03963	0.7
117.01873	2.8
117.03342	0.7
119.06036	0.8
119.08552	2.5
120.08087	1.2
121.02846	1.2
121.10124	56.7
123.04382	1.3
123.08081	0.8
123.11685	100.0
125.09601	2.9
125.13190	1.0
127.03896	23.7
129.01822	1.3
133.10199	0.7
135.04410	1.4
145.04912	7.0
147.11702	1.6
149.02325	1.6
149.09619	0.8
149.13239	60.2
159.02858	3.9
163.03876	4.9
165.01779	1.3
167.14282	63.0
179.14304	1.1
183.02924	0.9
185.15346	31.2
191.03403	0.7
195.02861	3.6
215.06970	1.6
219.02930	1.0
231.02846	0.8
231.05061	3.0
243.06421	1.0
249.06100	1.2
344.03384	0.9
379.17426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36068	0.4
53.00285	0.5
53.03923	0.7
55.01857	2.1
57.03413	0.7
61.04209	0.5
67.05495	1.8
69.07058	25.3
78.88353	0.4
79.05470	5.7
81.07034	0.8
83.04962	1.9
85.02888	1.0
89.03914	5.9
91.05466	0.5
95.04990	0.7
95.08510	0.6
97.06517	20.6
103.34044	0.5
107.04936	2.3
111.04396	0.8
117.03358	10.1
120.08056	0.9
133.02837	0.9
134.03625	6.3
135.04408	24.8
141.38884	0.5
144.30354	0.5
145.02834	19.5
147.04443	0.9
161.02310	2.6
162.03069	0.8
163.03882	100.0
164.04277	0.9
173.02296	0.7
191.03374	0.8
194.44057	0.6
212.65477	0.5
215.06976	1.2
217.05002	3.0
221.71681	0.5
228.12260	0.5
229.13181	0.9
241.08636	0.9
243.14909	1.1
244.15247	2.2
259.09619	50.0
270.13043	0.8
330.27817	0.7
407.21652	0.7
451.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67232	0.4
53.00294	0.7
55.01870	3.1
55.05495	0.9
57.03423	0.5
67.05493	3.8
68.39207	0.4
69.03414	1.1
69.07058	19.0
70.40334	0.4
70.44324	0.4
79.05473	11.5
81.03419	0.6
81.07047	1.8
83.04959	2.6
84.78890	0.4
85.02892	0.8
89.03902	5.0
91.05452	0.7
92.09276	1.0
93.07028	1.1
95.04942	2.7
95.08609	0.9
97.06515	45.9
105.07040	0.6
106.04170	0.8
107.04951	4.0
107.08556	1.1
111.04433	0.9
117.03349	10.1
120.65135	0.4
121.02801	0.4
133.02835	0.6
134.03609	9.4
135.04393	23.3
135.11713	0.5
145.01697	0.6
145.02840	19.9
147.11678	0.5
159.04361	0.7
161.02405	3.1
162.03072	0.9
163.03883	100.0
164.04178	0.6
173.02318	9.3
174.82808	0.4
180.09587	0.5
215.07011	8.5
217.04871	0.9
241.08488	0.5
243.22037	0.6
259.09610	64.3
380.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03925	0.6
55.01857	4.3
57.03434	9.4
62.74508	0.6
67.05486	0.9
68.99776	2.9
69.03410	3.7
71.04964	0.9
72.76663	0.6
73.02908	1.0
77.20329	0.8
78.61883	0.6
79.05473	4.0
81.03413	6.1
81.07031	3.0
85.02892	32.2
87.00773	1.1
89.03910	1.1
91.05460	1.5
93.03373	1.0
93.07037	3.8
95.04958	5.5
95.08615	0.8
97.02860	4.9
97.06474	0.9
99.04430	1.4
103.03932	1.1
105.03410	0.7
105.07004	0.9
107.01315	0.9
107.04925	2.9
107.08590	6.1
109.02871	8.5
111.00789	1.1
111.04427	1.1
117.03358	1.5
119.08582	0.8
121.02845	24.6
121.10159	1.3
123.04392	10.1
123.07986	0.8
125.02346	5.0
127.03927	1.5
128.95998	0.7
129.44221	0.7
131.08542	1.0
133.06549	0.8
133.10153	0.8
135.04411	9.3
137.02336	3.2
137.05901	2.5
139.11179	0.8
141.01799	2.7
143.07005	0.7
145.02832	5.3
145.10245	0.7
147.04399	3.9
149.02295	3.9
149.09578	1.5
151.03888	1.3
153.01807	7.4
161.02280	0.9
163.03873	30.0
165.01814	43.7
167.10616	1.7
171.02866	4.8
175.03917	2.7
177.01820	17.5
179.03404	1.6
180.28426	0.7
183.02859	37.8
183.04492	1.4
187.03886	3.2
189.01820	8.1
191.03357	29.3
193.01244	0.9
195.02866	100.0
203.03380	8.2
205.04927	3.1
207.02879	3.7
209.00830	0.7
209.04420	4.2
211.74516	0.9
215.03363	3.7
219.02861	33.9
231.02866	27.6
233.04437	3.5
237.03748	1.2
243.02841	5.4
249.03900	14.6
252.97859	0.9
261.03879	21.4
279.04901	4.3
289.06921	2.3
297.06119	1.2
301.06998	25.6
308.84024	0.7
313.07034	12.4
331.08047	13.2
355.03693	1.4
355.08044	20.5
367.08105	11.9
379.08212	5.4
385.08945	1.3
397.09189	7.2
397.13852	0.7
401.81039	0.8
415.10321	6.9
424.27792	1.0
433.11029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24872	0.3
55.01857	1.8
57.03419	2.4
61.02915	0.5
65.03928	2.5
68.77076	0.4
68.99774	9.0
73.58710	0.3
78.00050	0.4
81.03410	0.6
85.02894	5.8
88.56631	0.4
91.05484	0.5
93.03413	0.4
95.04943	2.2
97.02881	2.1
103.03937	0.4
109.02876	2.1
111.04420	2.9
119.04917	1.6
121.02843	100.0
123.04421	4.3
125.02301	0.5
127.03920	0.5
137.05972	0.7
139.03903	3.9
147.04463	0.6
149.02341	1.6
151.03903	3.7
153.01801	9.5
156.87114	0.4
163.03876	20.8
165.01804	12.0
165.05486	0.9
169.04892	0.6
177.01810	6.1
177.05383	0.7
179.03386	0.7
181.04921	0.8
183.02837	4.6
189.01746	0.5
189.05437	0.8
191.03346	9.2
193.04941	4.5
195.02849	15.5
203.03328	0.6
205.04927	8.1
207.02910	0.7
209.04427	0.8
215.03415	0.7
217.04984	2.0
219.02855	13.5
231.02827	2.7
233.04382	1.4
235.06013	1.7
243.02945	0.4
244.66618	0.4
247.06082	0.7
249.03781	4.2
253.07138	0.6
261.03882	6.8
279.05026	3.7
283.05939	5.8
295.05984	3.7
297.05927	4.3
301.06860	0.5
313.06970	8.2
331.08176	0.9
337.06891	0.8
355.08057	2.4
367.07938	3.6
379.07990	0.9
397.09140	2.2
415.10052	3.4
433.11414	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	451.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80735	0.5
52.69483	0.5
53.03940	1.1
53.33887	0.6
55.01856	3.1
57.03424	9.8
57.93903	0.6
59.04988	1.0
61.02906	1.1
62.57154	0.6
65.03913	1.1
66.02390	0.5
67.05486	1.4
68.99767	3.5
69.03396	3.8
71.04969	2.7
73.02880	0.9
79.05460	4.0
81.03403	6.8
81.07015	4.2
83.01289	0.7
83.04912	1.0
85.02885	30.6
87.00794	0.7
89.03888	1.1
91.05457	1.3
92.09370	0.8
93.06995	1.1
95.04942	7.0
95.08575	0.8
97.02853	3.4
99.04413	1.0
105.03393	0.7
105.06989	0.7
106.85688	0.6
107.04948	2.8
107.08557	5.0
109.02869	7.9
110.18306	0.7
111.00793	0.8
111.04461	0.8
116.93469	0.7
117.03294	0.8
119.04902	1.1
119.08540	0.8
121.02831	23.3
121.10143	1.2
123.04390	8.4
123.08064	0.7
125.02306	3.4
127.03892	3.6
131.08507	0.8
133.02837	1.0
135.04407	9.3
137.02309	3.5
137.05949	1.1
141.01791	4.0
145.02847	4.7
147.04404	4.5
149.02292	3.6
149.09592	1.3
151.03857	1.5
153.01799	7.7
163.00214	0.7
163.03880	27.9
165.01791	41.0
167.03307	0.7
167.10666	1.0
171.02812	6.1
175.03870	3.1
177.01814	12.7
179.03296	1.2
183.02840	38.0
185.11717	0.8
187.03818	2.9
189.01778	8.6
191.03357	27.4
193.01289	1.1
195.02849	100.0
197.00758	0.9
199.03821	0.7
203.03383	5.7
205.04919	4.3
207.02902	4.7
209.00751	1.1
209.04453	2.8
215.03372	2.6
217.01378	1.0
219.02844	32.9
219.04982	1.1
231.02831	29.4
233.04428	3.0
237.03905	3.3
243.02707	5.6
249.03896	12.2
261.03857	21.5
261.06430	1.3
279.05045	4.6
289.06964	2.7
297.06049	3.3
298.49417	0.7
301.06976	21.2
313.06982	9.9
325.06827	1.0
331.08011	11.3
355.08066	19.9
367.08057	12.2
379.08047	3.8
385.09015	3.5
397.08981	6.3
405.46893	0.7
415.10181	9.6
433.11221	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	450.2117
Annotation	Latisoline
Peak:m/z	Relative Intensity
51.11583	0.5
53.03940	1.1
53.81898	0.4
55.01859	1.1
56.05015	0.6
57.03427	3.1
60.08152	7.4
61.02909	3.9
62.87521	0.5
67.05487	2.9
68.99812	0.7
69.03416	12.4
69.07059	0.7
71.04971	2.3
71.07357	1.4
73.02890	2.6
79.05471	3.6
81.03396	4.3
81.07045	2.9
85.02422	1.0
85.02892	18.3
86.09689	34.3
87.00798	3.1
87.04443	1.1
91.05461	5.0
93.07011	9.4
95.04961	0.8
95.08595	1.0
96.08119	2.8
97.02873	8.4
97.06512	1.0
98.98450	2.5
99.04431	1.1
99.13718	0.6
104.10709	3.5
105.01864	0.6
105.07027	3.9
107.04935	0.9
107.08585	4.4
109.02887	3.1
109.06506	0.9
109.10143	1.0
115.05431	0.7
117.07001	11.7
119.08575	7.8
121.10117	5.2
124.07581	1.4
124.99988	29.0
127.03903	6.1
129.07004	0.8
131.08537	2.8
133.10056	0.8
138.65701	0.6
143.08539	3.4
145.04926	0.9
145.06473	2.5
145.10115	4.5
147.08090	0.8
147.11671	0.8
149.09615	1.2
153.01822	3.0
155.08533	5.2
157.10065	1.2
159.08095	0.6
163.03879	2.3
167.10632	4.9
169.10191	1.0
173.05981	7.5
181.10078	0.7
182.10956	0.7
183.11613	1.3
184.07314	81.8
185.11670	0.9
192.09306	0.7
197.13290	2.9
200.10767	2.9
207.11734	2.2
211.11137	0.8
214.08609	0.7
216.10162	81.3
217.10509	0.7
225.12677	3.4
227.14357	0.9
228.10237	3.3
235.17076	0.8
242.15553	1.0
253.12050	5.1
261.06052	0.6
270.14835	55.2
287.05475	2.4
288.05734	8.8
288.15884	100.0
289.07034	2.4
299.05640	0.7
300.05692	1.1
312.15979	0.9
330.07037	1.4
330.17084	0.9
354.06744	0.9
354.17242	0.7
432.21332	1.0
450.21219	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.2
55.01876	14.1
55.05499	3.2
57.03426	7.9
59.04979	2.1
60.98587	1.4
61.02914	8.6
61.32885	1.3
67.05492	10.0
68.99783	5.3
69.03418	35.4
69.07070	1.5
71.01357	1.5
71.04981	10.1
72.91080	1.3
73.02888	7.0
79.05479	33.9
81.03410	37.0
81.07035	26.2
83.04967	2.2
85.02892	82.4
85.06598	1.5
86.09676	1.8
87.00816	34.4
91.03941	2.7
91.05462	19.1
92.09326	3.0
93.07026	42.1
94.48229	1.3
95.04948	2.9
95.08599	17.3
97.02875	51.4
97.06503	8.5
99.04443	18.2
105.01859	21.3
105.07019	23.5
107.04946	2.6
107.08583	100.0
109.02861	41.1
109.06495	7.6
109.10166	6.0
111.04427	2.1
115.03897	1.5
117.01837	3.0
117.07037	5.0
119.08553	10.0
121.06475	7.6
121.10127	73.7
123.08028	5.4
123.11710	12.6
125.05987	6.6
125.09596	1.9
127.03902	46.1
129.01822	7.1
129.06970	2.4
131.08551	14.7
133.10107	3.5
139.11150	3.3
142.07776	1.9
143.08507	2.1
145.04951	9.2
145.10144	5.4
147.08051	2.2
147.11681	2.1
149.09605	58.2
157.10075	1.4
159.02858	14.3
159.11703	1.6
161.09505	1.8
167.10651	38.1
171.07999	1.6
185.11676	1.8
189.03867	1.5
189.05457	5.4
190.16869	1.4
191.10591	2.3
197.09718	2.0
213.03825	2.0
231.04942	3.4
231.10127	1.8
235.16986	1.9
257.11716	6.3
259.09512	2.2
275.12714	2.8
287.05466	9.5
288.05875	25.0
299.05450	1.7
300.05826	9.9
329.06522	1.9
330.06781	5.2
354.06760	1.8
397.15005	10.4
415.16043	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72314	3.7
53.86983	4.3
57.03423	34.6
57.12701	3.9
69.03413	100.0
69.48376	4.0
75.04469	4.3
85.02890	95.1
87.04465	73.6
97.02864	76.2
97.73640	4.8
105.98171	4.9
109.02882	6.4
115.03914	74.3
121.06478	57.2
127.03932	8.8
133.04941	58.0
142.03279	5.4
145.06477	31.9
156.91666	6.1
163.07532	10.8
175.07544	19.1
181.08723	6.0
217.08623	7.5
236.25865	5.3
424.17645	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	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.9
54.71511	0.8
55.01872	14.8
55.05498	3.9
57.03433	9.6
57.07052	1.0
58.70090	0.8
59.04988	2.6
61.02913	9.5
63.42848	0.9
67.05491	10.8
68.99773	5.4
69.03071	1.6
69.03419	39.2
69.07053	2.6
70.00630	0.9
71.04974	10.0
73.02908	13.9
75.04485	0.9
79.05476	36.1
81.03400	39.6
81.07042	28.7
83.04965	4.7
83.45856	1.1
85.02890	76.1
85.06520	5.6
87.00818	48.0
87.04447	1.6
91.03940	4.6
91.05465	15.6
91.13990	1.1
93.07024	48.7
95.04954	6.5
95.08590	17.7
97.02873	53.3
97.06510	7.1
99.04434	15.7
105.01849	21.4
105.07007	22.5
105.53880	1.0
107.04961	2.4
107.08580	72.6
108.04486	1.3
109.02869	41.3
109.06521	7.3
109.10144	5.3
111.04395	1.7
117.01835	4.8
117.07011	1.8
119.08555	10.5
121.06512	10.9
121.10120	100.0
123.08044	4.9
123.11682	12.3
125.05954	6.2
127.02958	1.8
127.03893	48.8
129.01801	4.7
131.08534	12.4
133.10100	5.2
135.04448	1.6
135.07990	1.8
137.05957	2.0
139.11139	7.9
142.07697	1.4
143.08565	2.4
144.78348	1.1
145.04956	12.8
145.06415	1.1
145.10120	5.5
147.02885	1.5
147.04395	4.7
147.08051	4.4
147.11638	2.2
149.05978	1.6
149.09604	47.8
149.13254	2.5
155.08459	1.9
157.10127	1.9
159.02866	12.7
161.05937	2.4
161.09618	2.5
165.09073	1.4
167.10631	35.6
169.10138	1.5
171.11674	1.4
173.09576	2.1
175.11168	1.2
183.11716	1.4
185.11786	1.8
189.05476	4.1
195.08167	1.1
203.10558	1.5
213.03925	2.4
215.10815	1.3
229.12149	1.4
231.04915	6.2
239.10620	1.4
257.11664	5.1
259.09641	1.3
275.12836	2.2
288.05795	5.7
293.13727	1.7
299.05417	1.4
300.05933	8.2
326.07541	1.6
330.06915	4.9
340.08600	1.5
354.06696	1.6
361.12708	1.4
397.14813	15.4
415.16016	14.2
450.24762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46830	0.4
52.57762	0.4
52.60127	0.4
53.03936	0.5
53.29116	0.4
54.81697	0.4
55.01854	1.2
55.05488	0.8
57.03412	1.0
58.07436	0.4
58.29261	0.5
61.02914	0.5
63.09972	0.4
63.18011	0.5
65.03905	0.5
67.55281	0.4
69.03427	4.9
71.01321	2.4
71.04973	6.9
74.20916	0.5
78.01251	0.4
79.05502	0.6
81.03405	4.4
81.07049	0.5
83.04967	4.1
85.02892	10.0
91.05457	4.6
93.07038	0.8
93.79976	0.5
97.02856	4.2
99.04432	3.3
101.05997	7.4
103.05446	1.2
105.07022	2.6
107.04906	1.2
109.02850	3.3
109.06521	0.7
111.04411	3.3
113.68571	0.5
115.03991	0.7
115.05454	0.5
117.05477	3.0
117.06973	2.1
119.04939	1.1
119.08530	6.0
121.02868	0.9
121.06451	2.0
123.08067	0.7
125.09618	0.8
127.03905	5.0
128.06174	0.9
129.06973	18.4
131.04918	4.4
131.08505	2.6
133.06467	2.3
135.07993	3.7
135.20934	0.5
137.02315	100.0
137.05948	2.5
138.02695	0.8
145.05002	0.7
145.06454	3.9
146.07260	0.6
147.04323	1.8
147.08020	44.7
148.05138	2.2
149.06000	0.7
149.09578	0.8
151.07520	17.4
153.05461	1.1
155.03343	3.5
157.06458	17.6
158.07224	2.6
159.08018	1.8
161.05934	8.0
161.09578	7.2
162.06680	0.9
163.03859	2.1
163.07506	23.4
165.05432	2.7
165.09074	3.1
167.07053	1.2
174.06686	4.0
175.07500	17.2
177.05394	6.0
177.09059	3.2
179.06998	48.4
179.10541	3.7
185.83749	0.5
187.07410	0.9
189.05452	13.8
189.09061	36.0
191.06889	0.7
193.08531	1.9
205.08615	4.4
207.06543	3.8
207.10126	75.6
217.08591	9.4
223.09599	31.7
225.08945	0.8
225.11151	26.4
231.87425	0.5
235.09601	9.1
253.10645	25.2
265.05600	0.6
271.11688	8.3
281.06555	2.1
299.07520	6.8
300.05801	0.7
315.07205	2.2
365.22748	0.7
397.11145	0.6
453.27765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27377	0.7
53.03941	10.6
55.01868	10.9
55.05501	1.2
56.96568	1.4
57.03432	9.6
61.02919	11.3
65.91330	0.8
68.99786	3.9
69.03417	46.6
70.02521	0.7
71.04982	5.6
73.02899	11.6
76.55219	0.9
79.05471	8.0
79.28082	0.8
80.71888	0.7
81.03403	40.5
81.03876	1.6
81.07060	0.8
83.01301	1.1
85.02893	100.0
87.00813	63.2
87.04457	3.2
88.64420	0.9
90.37678	0.8
91.03936	3.6
91.05447	8.7
93.03400	1.4
93.07024	10.7
95.04950	5.0
97.02876	62.3
98.97514	1.1
99.04436	17.0
103.05457	5.2
105.01849	52.7
105.07008	6.1
107.04927	6.4
108.04446	1.6
109.02863	39.2
111.04421	2.0
117.01849	5.1
117.03293	0.9
119.04935	3.9
120.23235	0.8
121.06467	6.1
123.02917	1.0
126.05486	0.9
127.03896	65.1
129.01822	5.5
131.04895	4.2
135.04417	3.5
137.02321	60.7
137.03371	2.4
138.02678	1.2
145.02910	0.8
145.04938	19.1
147.02945	1.9
149.06004	6.2
151.03896	1.1
155.03404	4.2
159.02838	14.7
163.03848	9.1
167.07034	5.3
185.67256	1.0
213.03926	1.7
231.04964	14.4
249.06018	5.9
299.07568	4.8
379.09973	1.4
397.11072	1.2
418.12946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23901	0.4
57.25422	0.4
62.25436	0.4
76.03848	0.4
78.61205	0.5
79.05489	0.7
81.07011	0.4
84.73418	0.4
85.02905	0.9
88.47908	0.5
91.05478	0.6
92.08687	0.6
95.08567	0.8
97.06495	3.4
107.50592	0.6
119.08544	0.5
133.56737	0.5
152.06192	10.3
163.03874	1.1
165.06956	11.7
166.07742	3.7
167.08530	100.0
173.02367	0.6
214.35558	0.4
215.06987	0.6
259.09485	2.2
268.21643	0.5
296.97812	0.6
300.05832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.81931	0.3
55.01867	1.6
55.05500	0.5
57.03420	0.8
61.02906	1.0
61.12192	0.3
62.10180	0.3
67.05479	0.9
68.78663	0.4
69.03419	4.4
69.07021	0.5
70.06563	0.6
71.04964	0.7
73.02882	0.6
79.05464	2.5
80.04999	20.9
81.03427	4.4
81.05779	0.5
81.07043	3.4
83.04957	0.5
85.02887	10.5
85.06494	0.6
87.00809	4.1
91.05462	2.1
93.07022	6.0
95.04952	2.1
95.08591	3.4
97.02866	6.3
97.06518	1.6
98.09664	1.6
99.04433	1.7
105.01843	2.6
105.07023	2.7
107.04938	1.9
107.08572	4.9
109.02872	2.8
109.06462	0.7
109.10160	0.9
111.04410	0.7
111.08030	0.4
117.06964	0.8
117.45493	0.5
119.04932	0.6
119.08545	5.1
120.08914	1.6
121.02874	0.5
121.06489	0.5
121.10132	4.6
123.08096	0.7
123.11705	0.7
124.07572	100.0
127.03904	4.9
129.07007	0.5
130.88286	0.4
131.04922	0.5
133.06566	0.5
133.10107	1.7
137.05951	0.8
145.04982	1.6
147.04420	2.5
147.07994	0.7
147.11691	1.6
149.06046	0.4
149.09605	2.2
149.13271	0.5
159.02896	2.1
161.05981	0.5
165.01772	0.6
167.08940	0.5
167.10638	2.4
175.07549	3.1
183.02881	0.8
189.12766	0.6
193.08589	1.6
217.12054	0.5
231.04996	0.9
235.13211	0.6
235.16931	0.5
253.14137	0.5
287.05460	3.2
288.05832	3.9
299.05414	0.8
300.05856	3.2
329.06482	0.5
330.06921	2.7
332.12506	0.5
340.08890	0.8
353.06375	0.5
354.06610	1.5
384.07993	0.4
397.15057	0.6
414.08884	0.6
432.09756	0.5
432.16125	0.5
450.17245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01865	1.6
72.25859	1.1
85.02869	2.3
92.08705	2.5
107.71497	1.0
109.02837	1.5
126.73762	1.1
134.89200	1.1
135.04436	2.6
137.02272	10.2
141.01819	2.6
149.02330	2.1
161.02350	4.2
165.01794	20.0
167.03369	5.9
176.17137	1.1
183.02840	5.3
190.25464	1.1
191.03329	2.6
195.02933	1.3
271.06113	1.3
283.05972	11.4
287.05447	6.5
294.60669	1.2
295.06033	1.8
297.07443	11.1
299.05450	100.0
300.06189	9.8
311.05356	13.2
311.08972	3.9
313.06949	2.3
321.07654	1.8
324.06348	2.1
325.03293	2.3
325.06964	26.6
329.06470	61.6
337.06946	4.6
339.08591	13.4
353.06467	28.2
365.06613	11.0
377.06503	7.0
383.07556	14.7
395.07498	11.0
413.08536	12.3
431.09689	9.3
442.54196	1.1
449.10709	6.2
456.02356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.36240	0.4
53.03922	0.5
54.76739	0.5
55.01867	0.9
57.03433	5.1
61.02904	1.4
62.26004	0.4
64.11084	0.6
68.99759	0.6
69.03422	4.2
70.89282	0.5
71.04614	0.9
71.04975	18.9
73.02895	0.9
75.90230	0.5
76.14161	0.5
81.03377	2.5
85.02891	27.7
97.02849	3.6
98.50674	0.7
99.88049	0.6
107.04918	0.6
109.02840	2.3
111.00786	1.3
121.02827	6.9
127.03869	1.4
129.05396	0.9
135.04407	0.7
137.02325	4.1
147.04407	0.9
153.01804	11.8
155.04851	0.6
163.03859	0.6
165.01813	6.4
183.02827	2.9
201.05373	2.5
213.05412	3.1
221.03252	0.6
229.04889	4.2
237.84375	0.6
257.04401	3.8
258.05246	1.4
287.05435	100.0
288.05887	0.8
299.05420	6.9
300.06146	0.7
303.04919	51.6
325.06985	0.6
329.06519	3.5
353.06564	0.8
413.08408	0.6
431.09653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3622
Annotation	CHEBI:70532
Peak:m/z	Relative Intensity
50.80011	6.8
53.25432	6.4
55.05497	49.5
57.07054	37.6
62.41218	6.8
67.05493	19.3
69.07062	63.5
71.08617	32.3
79.05468	16.9
81.07050	78.5
83.08596	35.7
90.29046	7.0
91.05453	14.2
92.08646	23.6
93.07021	61.4
95.08593	100.0
97.10143	33.4
104.44933	7.3
105.07030	69.2
107.08591	66.8
109.10139	44.5
119.08566	58.4
121.10122	47.4
123.11667	9.8
131.08586	60.9
133.10085	49.2
135.11690	15.7
138.60588	7.7
143.08524	13.2
145.10110	60.9
147.11690	53.0
149.13235	19.8
159.11696	38.8
161.13266	14.9
164.36403	8.7
185.13301	12.8
189.16374	10.7
190.20387	7.8
201.98608	7.6
329.31863	19.1
338.64456	8.4
371.33066	11.3
413.33984	43.7
431.35013	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01854	0.7
65.31888	0.6
68.99780	1.1
79.01847	5.3
81.03391	1.4
85.02888	3.7
107.00052	0.6
109.02871	0.9
121.02853	1.1
135.04407	5.9
136.05136	0.8
137.02327	25.3
137.03371	1.6
144.10626	0.6
161.02322	3.3
161.05899	0.7
163.03906	2.4
165.01778	5.3
167.03354	1.3
168.02225	0.6
171.02859	1.2
179.03403	2.7
183.02907	2.5
187.03767	1.1
191.03419	1.3
195.02899	1.0
196.20416	0.7
203.03322	0.8
206.97125	0.6
213.05542	0.7
216.25215	0.7
217.04883	5.6
227.07005	2.6
229.04893	6.9
229.14510	0.7
231.06549	0.9
241.04895	0.9
243.02815	2.4
243.06528	1.6
244.07253	1.2
254.05763	0.9
257.04288	0.8
259.05966	4.4
261.03912	3.8
271.06003	8.8
272.06744	13.1
283.06052	2.6
286.04605	1.3
287.05368	6.3
295.05905	1.4
299.05463	98.9
300.02768	1.7
300.06219	50.5
301.06995	3.9
310.04962	0.8
311.05450	18.9
311.14914	0.9
313.07043	27.8
314.04486	1.1
324.06238	3.6
325.06979	7.5
327.04944	3.7
329.06506	100.0
332.05157	0.8
337.06854	0.9
339.04941	3.0
339.08530	24.0
341.06580	7.0
343.08002	1.0
353.06476	20.4
357.06476	0.8
359.07532	6.8
365.06607	2.7
367.08072	5.9
371.07437	0.9
383.07523	12.4
395.07605	9.5
413.08649	22.2
431.09671	33.4
449.10706	74.5
450.10995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.5
67.05489	1.2
67.32713	0.4
68.76168	0.4
70.35887	0.6
81.07053	0.8
93.07008	0.9
107.34303	0.5
109.10144	4.3
119.08553	3.2
121.06475	11.3
122.07246	1.0
136.08810	13.7
137.09589	13.7
140.71082	0.5
149.02335	1.1
149.09590	1.1
151.07585	0.6
152.08246	0.9
164.06871	0.5
164.08305	36.4
165.09084	100.0
166.09782	0.8
177.09067	2.0
187.11116	0.5
190.09822	0.6
205.12193	4.4
223.52704	0.5
403.56070	0.4
415.37674	0.5
430.38004	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
57.03429	6.3
61.02900	1.0
69.03424	5.5
72.08151	0.8
73.02875	0.8
75.04446	1.1
79.05480	0.9
81.03390	3.6
85.02890	12.2
86.09670	0.6
87.00809	0.8
87.04440	3.0
89.03889	4.5
91.05441	1.4
93.06993	2.1
97.02877	3.5
99.04427	1.0
103.05450	2.5
105.01842	1.3
105.06998	1.2
107.08563	1.1
108.08153	0.6
109.02860	1.3
117.03358	15.4
119.04910	1.1
119.08562	2.9
126.60682	0.6
127.03902	2.4
131.04922	3.5
132.05203	0.9
133.02802	0.7
133.10080	1.0
134.03564	0.8
135.04379	3.7
137.02321	4.4
145.02837	63.2
145.10034	1.0
147.04417	1.2
147.08018	1.5
149.05981	8.6
149.09625	1.3
157.10066	0.9
161.06010	0.7
161.09595	0.8
162.03093	0.8
163.03867	5.8
163.07541	2.6
165.05354	0.7
165.09087	1.1
175.03903	0.6
177.05438	100.0
179.10625	0.8
189.09071	0.6
195.06514	15.9
215.06999	2.5
215.14304	0.7
219.06580	1.1
231.05241	0.6
233.08080	1.3
233.15363	1.5
251.09117	8.7
251.13802	1.4
251.16365	3.2
269.10141	18.3
324.22766	0.7
377.48517	0.6
429.20932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.0
54.81940	1.2
55.01877	10.5
55.05513	3.1
57.03421	7.6
61.02930	10.1
67.05488	7.3
68.99760	1.9
69.03424	31.2
71.04977	8.1
73.02905	13.1
79.05479	3.2
81.03403	31.9
81.07032	2.9
83.04971	2.7
85.02893	71.3
87.00816	42.7
87.04444	2.4
91.03934	1.4
91.05466	15.6
92.64314	1.4
93.07037	8.4
95.04947	6.4
95.08589	78.6
97.02874	55.4
97.06509	2.0
99.04426	15.9
105.01862	24.3
105.07021	11.4
107.04939	3.0
107.08577	6.4
109.02877	30.9
109.10134	1.5
111.04484	1.6
111.40437	1.2
115.03911	2.1
117.01846	3.0
117.07009	9.0
117.67463	1.1
119.08562	100.0
121.06475	2.3
121.10141	6.8
123.08049	99.4
127.03899	39.8
129.01804	6.0
129.06987	1.7
131.08553	2.8
133.10078	2.8
137.02324	7.1
145.04941	19.9
145.10103	6.1
147.08040	27.2
147.11688	2.1
149.09608	13.3
159.02847	13.2
163.03957	1.6
163.11179	7.2
165.09088	53.0
173.09755	2.1
173.13190	1.9
183.10133	2.5
213.03886	2.2
231.04984	7.4
233.11745	1.9
233.15352	9.4
251.16368	15.5
287.05200	1.5
299.05374	5.4
326.84512	1.3
329.06451	2.0
365.42462	1.3
413.14340	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	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03433	1.0
60.75812	0.5
61.02913	0.5
65.03938	0.6
69.03420	3.7
79.05486	0.8
81.03400	3.7
81.07053	0.6
85.02908	6.6
91.05457	1.2
93.07034	0.7
95.04951	0.9
97.02898	4.2
105.07029	4.1
109.02869	2.2
111.04430	2.3
115.05453	0.9
118.04104	0.5
119.04911	0.6
119.08558	3.8
122.09652	0.8
123.04446	0.9
127.03913	1.4
127.05423	0.7
128.06215	0.9
129.07004	1.2
131.04916	1.1
131.08569	1.2
133.06500	2.8
137.02342	37.9
137.03374	1.7
138.02675	3.6
139.02837	2.6
141.06892	0.8
144.05698	3.6
145.06470	2.3
145.10098	1.1
147.04378	1.2
147.08043	2.4
155.03516	1.6
155.04903	24.7
157.06476	2.1
159.04396	1.0
159.08041	2.3
160.37459	0.5
161.05968	3.8
163.03900	3.1
163.07558	0.6
172.05185	13.5
173.05968	1.3
175.11140	0.8
177.05461	4.4
183.04396	24.4
184.05211	1.4
185.05931	0.8
187.07512	16.9
188.04636	0.7
196.73788	0.5
200.04659	43.2
203.07011	6.5
205.08656	0.8
207.06454	2.7
215.07013	100.0
216.07404	0.9
233.08063	46.3
233.15320	1.4
234.67683	0.7
251.09152	13.7
251.16370	0.8
269.10150	0.9
281.06473	2.4
299.07629	2.8
325.42630	0.6
376.04941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.01867	13.4
55.05513	1.5
55.95466	0.6
56.49667	0.7
57.03424	8.5
58.31228	0.7
61.02910	8.1
63.11440	0.6
64.12202	0.6
66.39842	0.7
68.99769	4.3
69.03416	41.4
71.01337	0.9
71.04973	6.6
73.02898	11.5
81.03401	37.5
81.03873	1.5
81.07028	1.7
83.01347	0.8
83.04965	1.2
85.02890	100.0
87.00815	46.6
87.04447	1.3
91.03932	4.0
93.06996	0.8
93.96834	0.7
95.04955	1.6
95.08584	0.8
97.02869	43.9
97.06518	1.1
99.04431	15.5
103.03960	1.0
105.01850	33.6
105.07033	2.9
107.08630	1.5
109.02866	34.0
115.03915	1.4
117.01842	6.3
119.08575	3.1
121.06495	0.8
123.04411	10.5
126.05510	0.8
127.03896	57.6
129.01828	4.2
131.08580	1.1
133.10106	0.9
137.02339	21.0
137.03412	1.3
137.05943	3.8
138.02628	5.6
139.02843	1.6
143.08473	0.8
145.04942	27.0
145.10069	0.8
147.02884	1.4
147.04391	4.2
147.08020	1.1
159.02864	19.9
161.09598	1.3
163.03908	1.7
165.05446	13.8
165.09062	1.3
171.11682	1.0
177.05502	0.9
177.07042	0.7
179.10641	1.1
180.10303	0.7
189.03949	1.0
189.05475	3.0
189.09097	1.1
203.07106	1.1
207.06535	6.1
213.03935	1.3
225.07521	3.0
231.04832	12.8
233.15244	3.7
249.05867	0.8
251.16341	0.9
273.07462	5.5
291.08566	1.9
395.09485	1.1
413.21463	3.1
459.11725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92560	0.5
53.03944	8.2
54.82154	0.6
55.01867	12.8
55.05507	0.9
57.03437	7.7
58.22736	0.5
58.59480	0.5
61.02664	0.6
61.02915	8.7
67.05479	0.7
68.99783	3.2
69.03417	38.7
71.01315	0.9
71.04977	6.1
73.02912	10.9
81.03403	38.5
81.07043	1.2
83.01323	0.9
83.04960	2.6
85.02894	100.0
87.00815	44.2
87.01355	1.2
87.04449	1.4
91.03938	4.0
91.05469	1.3
92.09338	1.4
93.07046	0.9
97.02876	42.4
97.06516	1.2
99.04435	17.3
105.01850	31.3
105.07011	2.6
107.08605	1.2
109.02873	31.2
109.10155	0.8
114.38090	0.6
115.03911	1.5
117.01837	5.5
119.08555	1.2
123.04424	7.9
127.03899	59.9
129.01811	5.2
133.10132	1.0
135.08087	0.7
137.02335	18.2
137.03383	1.1
137.05948	3.6
138.02698	5.1
139.02811	2.5
145.04944	27.0
145.10106	0.7
147.02837	1.5
147.04391	3.0
147.08047	0.8
157.10052	0.6
159.02869	20.1
161.06020	2.2
161.09554	1.1
163.03888	1.3
163.75674	0.7
165.05450	13.4
165.09151	1.5
189.03902	2.7
189.05467	4.1
189.09036	1.1
190.06059	0.7
203.00542	0.6
207.06471	6.6
213.03922	2.4
215.14258	0.7
225.07510	4.1
231.04846	12.7
233.15332	1.4
249.05945	3.3
251.16386	2.6
255.06639	0.7
273.04681	0.6
273.07535	4.1
291.08707	3.7
395.09827	0.9
413.21643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34845	1.3
54.82119	1.5
55.05502	13.0
57.03430	25.3
57.06813	2.1
57.07068	42.3
59.05001	5.2
67.05139	3.3
67.05495	100.0
69.07042	6.8
71.04971	2.6
71.08624	19.5
81.07049	21.6
83.08601	17.2
85.06543	1.9
85.10171	14.1
89.06051	1.9
91.05447	7.0
93.07015	3.4
95.08586	29.0
103.07613	2.6
107.08591	1.8
109.10142	88.8
110.43182	1.7
111.08065	1.9
119.08527	3.6
130.49458	1.6
133.82700	1.5
137.09624	2.6
143.43454	1.4
155.10732	2.7
173.11702	20.3
181.73183	1.7
183.17429	3.2
201.18570	2.1
229.14313	51.6
257.21066	71.5
282.35455	1.5
298.17731	1.6
411.30972	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98254	1.6
73.79941	0.6
74.67613	0.5
86.06050	1.3
87.04443	7.8
104.07101	5.3
104.99259	29.9
105.07438	0.7
116.99243	6.2
135.00305	4.9
165.01323	3.3
185.04195	18.0
201.49693	0.7
203.05246	52.3
205.32111	0.7
225.03461	3.2
251.14888	0.7
351.07919	0.7
365.10477	100.0
387.08652	9.0
451.98032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91402	2.6
54.15493	3.0
55.05508	14.5
56.19505	2.4
57.03438	26.0
57.07068	51.0
59.02077	2.7
59.04981	4.2
67.05495	100.0
71.08622	27.6
74.97617	2.8
81.07037	26.5
83.08598	18.6
85.10167	12.6
93.07071	3.1
95.08575	25.1
96.47655	3.6
109.10148	90.8
111.08072	3.1
119.08607	5.0
123.11598	3.5
141.53001	3.0
173.11696	17.8
183.17441	4.8
193.28477	3.2
211.14990	3.5
229.14273	40.8
257.21072	71.9
411.30936	50.4
446.41534	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	446.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19056	3.5
55.05496	21.7
55.07389	4.0
57.03422	24.7
60.47210	4.1
63.56639	4.6
63.72108	4.1
63.92909	3.7
66.61909	3.7
67.05485	54.1
69.07048	8.4
71.04967	5.6
71.08598	10.8
74.56006	4.7
79.05476	72.3
81.07047	35.8
83.04973	6.5
91.05461	92.8
93.07037	50.5
95.04946	8.3
95.08579	26.6
97.06517	20.8
98.49258	5.0
104.74241	4.6
105.07031	59.7
107.04922	10.9
107.08591	26.6
109.04189	4.6
109.06493	5.1
115.05428	6.1
117.06995	100.0
119.08570	27.5
121.10136	6.7
128.06190	9.1
129.06985	37.2
131.08565	49.1
133.10127	21.3
135.08005	11.5
141.06952	23.3
143.08517	26.0
145.10115	26.4
149.02365	26.0
155.08641	15.5
157.10130	19.8
159.11684	19.1
161.09610	25.9
165.09003	6.3
169.10086	6.4
171.11632	9.5
173.13202	6.2
181.09917	5.1
183.11679	10.0
187.11165	6.6
193.04970	44.0
201.12735	24.6
203.14375	5.8
203.78035	5.1
237.07558	6.1
293.17361	52.1
301.21524	8.7
303.03409	5.0
375.25272	34.8
393.26108	21.4
429.11581	7.6
446.16980	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	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46539	1.2
55.01853	5.2
57.03431	69.1
59.04984	3.4
59.55684	1.2
61.02922	17.7
69.03419	86.8
71.01341	2.5
71.04966	1.9
73.02902	85.7
74.09697	2.9
75.04465	2.4
79.05488	1.6
79.15600	1.3
81.03387	8.4
81.07037	3.5
83.04968	2.3
84.04537	1.4
85.02893	100.0
87.04456	36.9
89.64133	1.4
91.03940	1.8
91.05448	3.1
93.07027	3.4
95.04918	1.5
97.02871	75.4
99.04453	2.8
103.03846	2.0
105.07009	6.4
107.04939	3.1
107.08566	2.2
109.02836	3.3
109.10105	1.4
111.08105	2.1
115.03152	2.6
115.03912	55.5
119.08561	7.0
121.10106	1.5
127.03894	17.1
131.08508	2.4
133.04944	41.7
133.10086	3.1
135.08008	3.5
137.02304	15.4
143.08519	2.9
143.70706	1.8
145.04933	20.1
145.10135	8.9
147.04398	2.0
147.08040	2.0
150.07590	8.8
157.10155	2.2
157.82278	1.5
159.11707	2.7
161.56389	1.6
163.03862	2.5
163.06033	2.1
171.11601	1.7
180.08687	1.9
185.13206	2.1
187.14729	1.7
189.09030	5.6
189.12712	1.9
201.09074	2.7
206.07068	1.4
213.09042	1.5
213.12617	2.1
231.13710	8.4
241.07100	3.5
249.14729	3.2
259.08090	2.9
295.10074	1.6
313.38239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.2
53.03931	1.4
55.01863	2.1
55.05483	1.1
57.03431	65.9
59.04982	5.7
60.04517	1.3
60.30706	0.9
61.02918	19.2
69.03417	100.0
69.07041	1.0
70.95285	1.0
71.01328	5.2
73.02903	93.8
74.09702	2.6
75.04469	4.0
79.05479	2.4
81.03406	7.0
81.07021	1.6
81.70515	1.0
85.02892	99.2
87.03935	1.9
87.04451	38.0
91.03934	4.7
91.05446	2.2
93.07039	4.4
95.04969	1.5
96.04459	1.2
97.02876	88.2
97.06463	1.4
98.05948	1.1
99.04432	5.2
105.07008	4.3
105.68409	1.1
107.04917	5.0
107.08575	4.0
109.02860	6.7
109.06491	1.3
111.08067	4.5
115.03917	61.7
117.06975	1.8
119.04932	1.6
119.08535	6.5
119.77146	1.1
121.10150	1.1
127.03884	17.8
131.08539	2.0
132.06543	1.2
133.04941	35.3
133.10089	1.9
135.08043	9.5
137.02345	11.1
144.06633	1.9
145.04959	20.9
145.10088	5.0
147.04344	1.5
147.08054	1.7
150.07596	7.6
159.07991	1.1
159.11629	4.8
161.09622	1.4
161.13127	1.3
162.07579	1.2
163.05971	6.0
180.08600	2.6
185.13156	1.8
185.39738	0.9
187.11198	2.5
189.09082	4.3
201.09053	1.7
203.14328	2.0
213.09019	1.1
223.05948	2.2
231.13727	7.6
241.06961	4.5
249.14703	4.3
259.08054	2.5
295.10086	1.9
401.66687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.81696	0.4
55.01868	0.5
57.03419	0.5
69.03401	3.3
73.02899	1.7
81.03403	4.1
83.04936	0.4
85.02891	6.1
86.06817	0.4
86.09666	0.4
87.00799	3.8
89.34608	0.5
92.08683	0.5
95.42280	0.4
97.02870	3.4
99.04419	1.0
103.05448	35.1
105.01841	1.6
107.04966	0.5
109.02866	2.4
117.03327	1.6
123.04433	1.0
127.03867	3.6
131.04901	100.0
131.37970	0.4
132.05202	0.6
135.04379	2.7
136.04716	0.9
137.02319	16.0
137.03366	0.6
137.05820	0.5
145.02827	2.5
145.04970	1.7
145.06482	0.5
147.04404	0.8
151.03879	2.8
152.04221	0.7
155.03377	0.6
159.02879	1.9
163.03856	12.2
163.07503	30.2
164.04208	5.3
186.01886	0.4
197.08075	2.2
198.08388	0.8
226.04265	0.4
249.64140	0.4
256.08743	0.4
299.07785	0.7
319.75076	0.4
344.74197	0.4
358.02557	0.4
365.38553	0.5
404.51465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25975	0.1
57.98586	0.1
63.03194	0.1
75.09733	0.1
79.05482	0.3
90.74310	0.2
91.05483	0.2
92.08773	0.2
93.07018	0.8
95.04946	0.2
103.03933	0.1
103.05460	5.0
107.04954	1.9
111.50035	0.2
114.37990	0.2
120.08088	100.0
121.08454	0.3
127.03918	0.2
131.04904	2.4
131.23805	0.2
149.05997	1.9
150.76147	0.2
162.34401	0.2
166.08614	25.8
357.53729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95931	0.4
52.11952	0.4
54.73206	0.5
55.05493	1.3
67.05482	3.6
69.07052	2.6
81.07034	4.7
82.35120	0.6
83.08627	0.9
94.12097	0.6
95.08574	2.6
109.10142	5.2
113.71226	0.6
118.37491	0.5
119.08572	1.3
122.07298	2.3
127.52655	0.6
137.09593	13.3
161.13199	0.6
165.09084	100.0
166.09433	1.1
205.12315	1.0
222.48479	0.6
232.42909	0.7
384.57208	0.7
427.06818	0.6
445.29199	0.7
445.36066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62232	0.2
53.03937	2.1
55.01866	2.5
55.05498	0.2
57.03421	1.5
60.04512	0.3
61.02911	1.4
65.03919	0.3
68.99763	0.7
69.03413	4.9
70.06554	0.2
71.04972	1.0
73.02897	1.3
79.05466	0.2
81.03397	5.9
83.01290	0.2
85.02889	10.0
85.06516	0.2
86.09715	0.2
87.00810	5.9
87.04449	0.3
91.03938	0.7
95.04945	0.8
97.02866	5.9
99.04430	1.8
105.01855	2.2
105.06991	0.3
107.08568	0.4
108.04460	0.9
109.02857	4.8
109.06466	0.2
117.01844	1.0
117.07003	0.3
119.08568	0.3
121.02852	2.2
121.03607	0.2
121.04004	0.2
121.06478	0.2
126.05498	0.5
127.03894	5.1
129.01779	0.3
133.02831	2.6
133.13553	0.2
135.04420	1.9
137.02339	0.4
145.04945	2.2
145.10097	0.2
147.04388	0.3
149.02321	100.0
159.02913	2.6
163.03873	73.7
164.04196	1.2
167.03384	1.4
181.04927	22.7
197.11604	0.2
213.03865	0.3
231.04930	0.3
231.13676	0.2
236.14882	0.2
249.14633	0.2
314.71298	0.2
428.62161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.47799	1.1
55.01861	6.9
56.96562	2.6
57.03426	5.7
61.02904	3.1
69.03417	30.7
71.04974	6.4
73.02901	5.4
81.03400	20.5
84.04485	1.7
85.02897	38.2
86.09690	1.6
87.00825	11.8
87.04449	2.5
92.09228	1.4
97.02875	100.0
98.97565	6.5
99.04431	11.5
105.01846	8.0
105.03712	3.1
109.02866	40.3
115.03941	5.0
123.04711	2.1
127.03893	45.0
128.12254	1.3
136.06166	49.1
145.04938	14.7
145.51511	1.4
150.05530	1.5
152.05650	29.8
153.04056	3.2
167.02798	6.4
170.05084	1.7
170.55453	1.7
170.99603	3.0
176.03354	2.4
183.02817	2.1
189.00693	5.9
213.03961	2.3
219.01758	2.9
221.05069	1.4
231.04922	9.7
234.48401	1.3
237.02808	8.1
249.06026	25.2
249.45337	1.4
296.56757	2.1
353.39420	1.4
366.49390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
55.05508	21.4
57.03417	0.4
57.07068	9.5
57.26200	0.4
67.05495	5.1
69.03447	0.5
69.07058	26.6
71.08620	4.8
79.05471	1.8
81.07035	9.4
83.08605	15.3
85.10172	1.1
87.41998	0.5
91.05418	3.7
93.07036	6.5
95.08591	7.7
97.10156	7.6
105.06989	1.1
107.08591	5.8
109.06483	0.7
109.10133	8.2
111.11692	2.1
117.07008	0.7
119.08570	5.4
121.06482	0.8
121.10142	4.7
122.07272	1.0
123.08078	0.9
123.11715	0.9
125.05994	0.6
131.08530	2.4
133.10088	2.6
135.08043	4.1
135.11681	2.7
137.09595	13.7
143.08504	0.8
145.10112	1.1
147.11639	1.1
149.09605	15.5
149.13231	1.1
151.07538	0.7
151.14783	0.7
157.10054	1.0
159.11642	2.7
160.08745	0.7
161.09610	2.8
162.06689	0.9
163.07549	0.5
163.11168	8.2
165.09087	100.0
170.10861	1.0
171.11557	0.8
173.09587	3.1
173.13188	0.6
174.10350	1.0
175.07518	0.9
175.11122	4.5
176.08313	0.8
177.09082	8.5
177.12717	0.6
179.10667	0.8
185.13133	0.7
186.10297	0.7
187.11163	2.7
189.09009	3.9
189.12732	2.7
190.09904	1.2
191.10649	8.4
199.11127	0.6
201.12732	3.1
202.09879	1.8
203.10674	6.6
203.14223	3.8
205.12206	14.0
213.12698	0.8
215.14223	0.7
216.11447	0.9
217.12219	1.2
219.13750	2.2
229.12279	0.5
231.13759	3.4
244.84457	0.6
245.15294	0.9
267.70868	0.5
275.27600	0.8
284.00360	0.5
289.21576	1.1
331.26340	1.0
337.02499	0.6
345.27841	2.4
371.29019	0.5
390.72321	0.7
409.34494	1.1
427.35571	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	445.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55723	1.0
61.25256	1.3
66.33511	1.5
67.05478	1.6
70.73638	1.2
72.42996	1.3
79.05453	1.3
81.07021	1.4
93.41734	1.3
98.12633	1.7
288.58865	1.6
397.17233	1.6
445.25552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95897	10.5
52.85473	9.0
53.03937	8.8
55.05511	44.1
55.58328	10.9
55.93270	7.9
57.07069	42.3
61.07005	10.4
61.83348	10.4
67.05493	45.6
69.07054	79.4
71.08605	10.9
79.05490	14.4
79.14613	11.4
81.07047	72.9
83.08624	20.2
90.41664	9.6
93.07038	47.7
95.08572	100.0
97.10150	11.1
98.91866	11.1
105.07022	58.5
107.08598	65.2
109.10149	60.8
119.08565	53.3
121.10140	54.3
123.11664	17.1
131.08513	50.5
133.10146	19.8
135.11694	20.1
139.35789	10.2
143.08620	12.5
145.10139	55.2
147.11661	22.3
159.11626	41.4
165.09055	17.5
167.64476	11.9
179.29405	10.2
181.10471	9.9
184.42487	9.7
185.13261	11.8
209.45064	11.4
214.37880	12.3
343.33234	20.5
399.20166	12.6
427.35712	15.6
445.36462	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83760	0.2
55.01867	0.3
55.05519	0.3
56.63519	0.3
57.03428	0.4
57.07072	1.9
61.02904	0.2
66.04682	0.2
67.05502	1.8
69.03403	1.6
70.06576	0.2
71.80512	0.2
73.06526	0.3
79.05476	0.5
81.03393	1.6
85.02902	2.2
85.06534	3.2
86.09682	0.3
87.00829	0.4
89.03888	4.6
92.09335	0.3
97.02865	2.9
99.04427	0.5
103.07542	2.2
107.04942	2.7
109.02875	1.3
111.04413	0.6
115.03923	1.2
117.03359	7.1
121.08585	1.2
123.04451	0.4
125.02351	0.4
127.03895	1.4
128.04189	0.3
131.04936	0.3
133.02812	0.5
135.04390	20.1
137.02324	19.0
137.03366	1.0
138.02660	5.3
143.42009	0.3
145.01685	0.6
145.02834	17.0
147.04398	1.2
151.03888	1.7
152.04309	0.3
153.01808	1.6
155.03378	0.3
163.03876	100.0
164.04201	1.0
172.95384	0.3
179.03358	7.6
179.10612	0.3
180.03661	2.9
197.04431	1.5
247.11530	0.3
325.09164	0.6
401.18002	0.4
445.20959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
53.34688	0.2
54.46135	0.2
55.01859	0.4
55.05483	0.3
57.03420	0.4
57.07070	2.8
61.46727	0.2
62.45083	0.2
67.05506	1.9
69.03410	2.1
69.66479	0.2
72.08134	0.3
73.02901	0.4
79.05459	0.9
81.03403	1.6
83.04952	0.2
85.02882	1.7
85.06525	3.7
86.03205	0.3
86.09692	0.3
89.03895	4.1
95.04929	0.3
95.64616	0.2
97.02866	3.9
98.03250	0.2
99.04430	0.3
103.07587	2.1
105.07024	0.2
107.04938	2.4
109.02857	1.1
110.49426	0.2
110.66555	0.2
111.04455	0.3
115.03917	1.3
117.03363	7.0
117.70483	0.2
121.08622	0.9
123.04396	0.3
125.02356	0.9
127.03891	1.6
129.98969	0.2
135.04402	21.3
136.04665	0.3
137.02328	17.1
137.03386	1.2
138.02670	4.8
138.03722	0.3
145.02841	16.2
147.04315	0.8
151.03914	1.5
153.01805	1.4
155.03365	0.3
163.03882	100.0
164.04167	0.8
165.04396	0.3
179.03369	5.3
179.06992	0.3
180.02356	0.2
180.03716	2.2
182.22099	0.2
197.04416	0.9
197.08113	0.4
247.11659	0.2
325.09341	0.9
401.17551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01873	0.4
55.05510	0.4
56.85399	0.3
57.03426	0.4
57.07056	2.0
57.19291	0.3
60.63893	0.3
67.05480	2.1
69.03406	2.8
79.05465	0.7
81.03400	2.0
82.03771	0.4
83.04961	0.8
85.02883	3.4
85.06524	3.1
86.85370	0.4
87.00797	0.4
88.72601	0.3
89.03895	4.8
92.63272	0.3
97.02867	4.1
98.03210	0.5
99.04448	0.5
103.07565	2.6
107.04948	2.5
109.02853	2.0
111.04416	0.5
113.02358	0.4
115.03899	3.1
117.03349	7.9
121.08569	0.7
123.04350	0.6
125.02308	0.6
127.03889	2.4
128.04279	0.4
135.03368	0.9
135.04396	22.6
137.02321	34.2
137.03343	1.4
138.02655	12.5
138.03703	0.7
145.01685	0.5
145.02829	15.6
147.04385	2.0
151.03893	2.6
153.01811	2.5
155.03387	0.7
159.02905	0.4
163.03874	100.0
171.02863	0.5
179.03371	10.7
179.04863	0.7
179.10620	0.4
180.03712	5.1
197.04427	2.4
197.08037	0.5
244.69916	0.4
325.09097	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	445.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03980	0.7
65.03957	0.8
69.03461	0.6
69.07106	0.3
81.03400	5.7
85.99270	0.3
90.53587	0.3
91.05463	16.2
95.08659	0.3
109.02867	3.5
116.97063	0.3
119.04920	42.1
119.08609	0.3
121.02817	0.6
127.03889	3.8
135.04364	0.3
135.46777	0.3
137.02332	90.1
137.03407	9.5
142.16896	0.3
147.04391	100.0
150.65628	0.3
163.03879	1.4
171.27246	0.3
190.76344	0.3
283.98138	0.3
387.27606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53193	1.3
53.03926	1.4
54.81746	1.5
55.01862	2.5
55.05501	2.1
57.03440	1.5
67.05493	6.5
69.03436	1.9
69.07050	3.6
70.80623	1.4
79.05489	7.6
79.43854	1.3
81.07047	9.1
81.80473	1.6
85.02853	3.3
91.05469	10.6
93.07026	7.8
95.04932	3.6
95.08598	3.7
97.06537	18.8
97.10124	1.7
99.04468	1.5
103.05466	2.0
105.03391	17.6
105.07030	9.0
107.04927	3.3
109.06499	13.4
109.10152	10.7
111.08085	2.0
117.06973	2.2
119.08555	9.6
121.06456	2.3
122.03658	1.9
125.05993	3.9
127.03922	1.9
128.06172	2.7
129.06995	7.7
131.04965	1.6
131.08566	3.0
133.02840	33.9
133.06490	3.9
135.08032	3.4
136.19980	1.8
137.05971	31.9
137.09604	19.4
140.73477	1.6
144.37077	1.5
147.08029	12.6
149.06018	3.0
149.09641	3.0
150.03114	8.3
151.03841	2.8
151.07539	10.2
153.09143	1.8
157.06509	2.8
161.02322	20.0
161.09627	6.6
163.07545	7.4
165.05392	14.5
165.09088	100.0
165.10483	3.3
175.07486	11.7
177.05489	3.2
178.02589	3.7
179.10623	3.9
181.08569	26.0
185.06020	1.9
189.05507	2.2
189.09055	5.8
191.06987	10.5
193.04961	26.1
193.08589	9.4
203.06985	6.9
207.10165	13.3
209.08034	21.7
217.08545	2.6
235.09570	18.1
253.10692	40.3
432.91229	2.0
445.14865	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	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30693	5.1
52.66117	4.8
52.95145	5.3
53.36871	5.3
54.00253	4.6
55.05502	27.4
63.50905	5.5
67.05505	34.6
69.07065	10.6
79.05472	40.5
81.03408	7.3
81.07043	100.0
83.08580	7.8
89.71150	4.9
91.05455	30.8
93.07036	14.4
95.04951	10.7
95.08591	29.9
105.07017	24.9
107.04950	11.3
107.08594	27.5
109.06500	25.1
109.10156	10.9
117.07010	7.6
119.08575	25.9
131.08539	9.0
133.10133	13.6
149.09624	8.4
165.12628	7.4
275.20059	98.1
275.22989	8.3
275.48694	7.3
288.84985	6.8
293.20926	48.8
409.22192	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	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01861	5.5
55.05510	43.4
56.77683	2.2
58.50862	2.1
67.05501	34.2
67.85226	2.6
69.07060	18.9
79.05474	32.4
81.03399	14.1
81.07039	37.4
83.04974	6.0
83.08617	29.1
88.93106	2.5
89.02386	5.0
91.05463	34.4
93.07016	34.5
95.04942	46.6
95.08601	21.9
97.06527	9.9
97.10146	4.2
98.97552	4.3
105.07015	52.8
107.04945	11.6
107.08575	27.4
109.06517	5.9
109.10138	12.2
111.08071	2.7
116.98676	4.3
117.07018	18.5
119.08559	35.6
121.06470	5.1
121.10118	18.8
123.08080	3.9
125.09587	3.3
129.07033	3.6
131.00044	2.4
131.08546	25.6
133.10095	36.4
134.99680	3.2
135.08012	4.8
135.11655	5.0
137.05966	4.2
137.09581	2.9
143.08562	3.8
145.10133	30.1
147.08015	3.8
147.11716	13.2
149.09630	32.6
151.11169	3.5
155.08553	3.8
158.56151	2.7
159.11691	12.4
161.09639	3.0
161.13165	4.1
163.11124	33.8
165.12772	4.0
169.10104	6.1
171.11728	4.6
173.09573	3.1
173.13280	3.3
175.11267	2.8
175.85681	2.5
181.86761	2.6
183.11647	2.9
189.11232	3.4
197.13313	3.0
205.06210	3.1
223.13210	20.0
235.02692	2.5
239.17969	5.1
243.15593	2.5
253.03751	4.0
257.18933	10.2
275.20023	100.0
276.44684	2.5
293.21051	43.1
404.17307	5.5
447.95880	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	444.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01856	2.5
57.03421	3.6
57.07061	1.5
61.02908	4.5
67.05483	4.3
69.03416	11.4
70.10761	0.6
71.04964	2.9
73.02872	1.3
81.03399	4.3
83.04967	1.2
85.02894	44.6
85.06530	100.0
87.04455	0.8
87.78864	0.6
91.03939	3.6
94.11758	0.7
97.02869	17.0
99.04426	2.9
103.03913	1.6
106.35637	0.7
109.02863	5.4
127.03888	10.5
135.04352	0.9
137.04616	0.9
145.04968	9.1
163.03900	3.5
163.05977	3.2
164.04192	0.8
199.09653	1.5
229.10718	4.9
265.12845	4.6
357.02295	0.8
418.36288	0.7
423.58173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43781	1.0
52.52768	0.9
53.03931	6.2
55.01857	6.2
55.77956	1.1
57.03424	6.5
61.02899	7.8
64.21366	1.1
65.42617	1.0
66.96844	1.2
68.99771	2.0
69.03070	1.4
69.03418	27.7
70.45628	1.0
71.04963	5.8
73.02898	6.0
79.05489	2.1
80.16322	1.0
81.03403	23.6
81.07030	1.5
82.79530	1.1
85.02895	83.7
87.00820	41.5
91.03906	2.0
91.05457	1.8
95.08600	1.3
97.02887	26.4
99.04438	10.7
105.01854	36.1
105.06997	1.4
108.04475	1.7
109.02874	26.3
117.01842	2.4
119.08565	100.0
127.03894	39.8
129.01781	1.7
131.08499	1.6
137.09616	1.6
145.04970	13.0
145.10057	1.5
159.02837	10.2
161.09520	5.0
161.13210	5.7
165.09076	9.9
166.09280	1.3
189.04001	2.2
213.03920	1.7
229.00446	1.5
231.05014	10.3
249.05963	5.3
259.09525	1.5
280.36523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01870	0.2
57.03426	0.7
57.37392	0.1
59.04985	0.6
69.03413	2.3
70.06576	0.1
71.01305	0.1
71.04971	0.1
79.05460	0.2
81.03390	1.4
85.02890	1.9
85.06516	0.2
86.09690	0.2
89.03903	2.3
91.05457	0.2
92.09411	0.3
95.04936	0.2
97.02876	4.7
97.06512	0.2
99.04472	0.3
101.02370	0.2
107.04938	1.5
109.02889	0.3
117.03361	5.0
127.03907	0.4
135.04401	14.5
138.81122	0.2
145.02835	14.0
147.04408	0.9
163.03880	100.0
164.04150	0.2
175.65230	0.2
181.04883	1.0
221.30569	0.2
247.09573	0.2
307.08170	0.3
325.09131	10.2
391.13763	0.2
409.15125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.05482	0.2
57.03417	0.7
59.04988	0.9
69.03416	2.2
69.07034	0.1
70.82001	0.1
71.01331	0.2
71.04963	0.2
73.02896	0.1
79.05459	0.5
80.04982	0.1
81.03390	1.3
82.31835	0.1
85.02892	1.8
87.04467	0.1
89.03896	2.9
92.09327	0.2
97.02869	5.0
97.06497	0.1
99.04433	0.2
100.80879	0.1
101.02363	0.2
107.04946	1.5
109.02860	0.7
113.55230	0.1
117.03359	5.0
127.03881	0.6
129.59392	0.1
135.04391	15.0
138.45616	0.1
145.02832	14.7
147.04387	0.6
163.03873	100.0
164.04198	0.6
181.04924	1.1
201.09077	0.1
247.09633	0.1
251.13905	0.1
259.09479	0.1
307.08020	0.6
308.84656	0.1
325.09106	10.0
387.24008	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	443.3882
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
51.05315	2.0
54.82364	2.0
55.05500	9.8
57.07066	9.9
67.05489	18.8
69.07059	30.8
70.07342	2.1
79.05488	12.7
81.06593	4.1
81.07038	71.2
83.08629	12.3
87.04462	3.2
91.05449	3.9
92.08751	3.6
93.07012	24.8
95.08586	100.0
95.09203	3.8
97.10128	5.1
105.07028	5.8
107.08578	36.0
109.10148	32.6
111.08028	2.4
111.11691	3.0
112.61367	2.8
119.08582	10.6
121.10124	48.0
122.49555	2.4
123.08162	2.4
123.11689	94.1
125.09641	2.5
131.08588	2.7
133.10115	5.5
135.11627	22.3
137.13258	23.5
145.10156	4.3
147.11682	9.2
149.13251	26.9
149.62511	2.2
151.14787	3.4
159.11728	3.2
161.13271	4.6
163.11140	2.1
163.14819	27.2
173.13284	2.6
175.14896	3.1
177.16400	10.7
187.14827	2.3
189.16354	9.2
191.17979	9.2
205.19472	9.8
250.65848	2.5
269.22745	2.5
301.25165	5.1
397.38373	22.3
425.37668	75.4
443.33539	14.9
443.39001	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	444.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.82346	0.3
55.01649	0.2
55.01863	2.0
57.03438	1.3
57.07067	0.3
61.02922	0.5
66.47137	0.2
68.99798	0.2
69.03416	4.5
69.60542	0.3
71.01340	0.4
71.04987	0.4
81.03401	5.3
81.07063	0.3
83.85939	0.3
85.02891	6.9
86.09684	0.4
87.00815	2.4
95.04966	0.3
97.02884	7.5
99.04431	0.6
105.01871	1.4
107.04919	0.3
109.02872	4.5
111.04435	2.4
113.02337	1.2
113.34371	0.3
115.03928	0.4
117.01859	0.3
123.04414	7.5
125.02336	3.2
127.03895	5.0
127.11172	0.4
133.02814	6.3
135.04384	1.7
137.02325	100.0
143.03381	1.2
143.08543	0.4
145.04938	0.6
147.04417	0.5
151.03886	3.6
155.03340	2.7
159.02872	1.3
159.04436	0.2
161.06024	0.3
163.03888	1.5
179.03366	80.8
180.03925	0.3
195.02817	0.3
215.07082	0.4
219.26227	0.3
231.05051	0.4
237.03845	0.3
251.05403	1.9
259.09619	0.4
297.05963	2.0
427.08380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05503	21.4
56.97852	2.5
57.07053	6.9
67.05486	22.8
69.03416	37.0
69.07060	43.7
71.04986	23.7
79.05453	13.9
81.07037	70.8
83.08591	17.7
85.06507	4.1
91.05455	7.6
93.07027	39.8
95.08578	96.6
97.06507	6.3
97.10150	13.0
99.08044	13.4
105.07011	26.3
107.08574	61.1
107.79441	3.0
109.10149	71.4
119.08564	35.1
121.10116	51.5
123.11679	46.4
125.09602	76.5
127.11117	7.0
131.08577	4.7
133.10086	71.3
135.11667	52.8
137.13271	23.9
143.10667	19.4
145.10103	24.6
147.11662	62.5
149.13243	47.3
151.11151	6.0
159.11696	21.4
161.13197	15.9
163.14807	34.3
173.13231	3.9
175.14807	16.6
177.16354	12.4
187.14749	4.6
189.16347	6.1
191.17903	100.0
193.15895	7.0
193.19525	3.5
197.30940	3.0
201.16359	4.2
203.17892	5.4
205.15939	7.0
205.19498	20.1
211.16890	13.7
215.17934	5.6
217.19511	13.2
224.15251	3.3
231.21190	5.6
233.19037	6.0
242.57808	3.2
259.37009	3.2
326.09863	3.4
339.30484	5.1
407.36533	14.5
425.37628	48.1
443.33395	10.5
443.38797	65.3
445.24689	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	443.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05508	3.0
56.28257	0.4
57.07071	0.6
57.49017	0.4
65.03923	0.4
67.05491	5.7
69.07065	3.8
73.39902	0.3
79.05466	1.6
81.07047	8.7
83.08612	0.9
85.06535	1.0
91.05456	0.9
92.08676	0.8
93.07034	2.2
95.08586	5.5
105.07021	1.6
107.08562	2.5
108.41619	0.4
108.56602	0.4
109.06532	0.4
109.10151	8.2
117.07080	0.5
119.08598	3.5
121.10123	0.9
122.07264	2.1
123.11694	0.9
135.08052	0.7
137.09612	13.5
137.13208	0.5
139.09615	0.4
149.09569	3.3
156.45122	0.4
159.11681	0.5
163.11101	0.9
165.09088	100.0
177.09062	0.5
185.13269	0.4
189.09094	0.6
191.10655	1.0
203.10706	1.5
205.12244	3.0
279.26804	1.0
304.09769	0.4
425.34436	0.5
443.23926	3.5
443.35095	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	443.3879
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.01833	2.2
55.05501	14.7
57.07060	8.1
66.84037	1.5
67.05478	12.8
69.03395	1.7
69.07058	27.7
74.17241	1.6
76.16808	1.7
79.05465	11.0
81.07043	50.4
83.08606	10.8
84.00955	1.7
91.05452	3.6
92.08696	3.7
93.06480	2.8
93.07027	48.2
95.08588	65.6
97.06472	2.1
97.10155	4.3
105.07011	14.5
107.08580	66.1
109.10146	32.4
111.08064	7.5
119.08574	18.0
121.10116	75.9
123.11688	24.7
131.08514	2.0
133.10101	16.6
135.11694	34.6
137.13226	19.0
139.11133	2.7
145.10127	7.1
147.11664	11.4
149.13243	65.2
159.11676	10.4
161.13261	13.1
163.14758	7.2
173.13190	3.5
175.14772	12.7
176.82637	1.7
177.16341	25.7
180.86705	1.7
189.16415	2.4
191.16237	2.7
191.17914	51.6
195.17468	19.4
201.16281	3.0
205.15887	2.2
215.17882	7.1
217.19415	8.1
223.16904	4.1
229.19472	7.2
231.20876	4.3
233.18962	2.3
251.20117	2.9
285.25787	2.8
340.19852	1.9
355.29965	2.4
407.36655	2.2
425.37695	100.0
443.38867	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28365	0.4
55.05509	3.7
57.07059	0.7
67.05491	5.5
69.07063	3.6
79.05455	1.9
81.07037	7.1
83.08598	1.7
85.06536	1.6
89.23462	0.4
91.05417	0.6
92.09338	0.4
93.07005	1.7
95.08590	4.9
105.06972	0.6
107.08572	0.8
109.10139	6.9
119.08541	2.8
119.64439	0.4
121.10103	0.5
122.07252	1.7
123.11754	0.6
135.07999	0.6
135.11699	0.5
137.09602	14.9
149.09575	2.1
149.13271	0.5
155.49278	0.4
163.07410	0.4
163.11133	0.6
165.09082	100.0
177.09029	0.5
189.12778	0.4
191.10619	1.7
203.10626	2.0
205.12190	2.7
235.15593	0.4
279.26694	0.7
291.26578	0.5
331.58661	0.4
381.12833	0.4
443.23944	2.4
443.34891	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	443.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49898	0.5
51.57209	0.5
52.59369	0.5
55.05499	2.2
61.01051	0.5
66.87356	0.6
67.05480	3.7
69.07046	2.6
79.05455	0.7
81.07025	4.1
83.08598	0.7
93.07020	1.2
95.08591	3.1
105.74369	0.6
107.08577	1.3
109.10155	6.1
119.08559	1.4
121.10098	0.7
122.07243	1.3
123.11651	0.9
133.10164	0.5
137.09598	12.2
149.09512	0.7
165.09085	100.0
178.10150	0.7
203.10692	0.9
205.12292	2.2
358.44797	0.8
382.65622	0.6
443.33463	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.4
57.07060	5.0
63.00024	10.8
67.05506	5.5
69.07057	11.6
71.08636	2.5
79.05473	4.9
81.07038	27.5
83.08591	2.8
93.07007	10.4
95.08593	25.0
97.10129	2.3
98.66808	2.0
105.06998	5.0
107.08600	8.5
109.10162	18.1
119.08576	4.5
120.05499	2.0
121.10141	5.1
122.07240	2.4
123.11704	4.1
133.10085	3.5
135.08043	3.4
135.11707	3.9
137.09636	22.5
145.10049	2.4
147.11697	3.2
149.09584	21.3
149.13197	4.2
158.69875	2.3
163.11151	5.1
165.09084	100.0
177.09096	3.6
182.53682	2.3
191.10626	5.1
201.12807	2.7
201.38055	2.2
205.12244	17.1
425.34161	3.6
443.34439	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	443.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79302	0.6
54.81251	0.8
55.01872	1.1
55.05506	0.9
57.03436	1.0
61.01130	8.4
61.50349	0.7
67.05479	0.9
69.03410	3.0
72.04504	13.2
78.03777	25.7
81.03388	1.0
85.02908	3.1
85.06508	2.5
88.02198	5.4
91.05450	2.4
92.09315	1.2
94.30758	0.8
95.04961	13.4
95.29665	0.6
95.62527	0.7
97.02868	2.7
99.05566	1.5
101.38648	0.7
102.03748	35.3
103.02165	1.4
109.02916	1.1
112.16639	0.7
113.06010	1.5
114.03741	1.3
117.03325	1.1
119.04910	7.1
120.04803	3.6
120.22267	0.6
123.04411	100.0
124.04786	0.7
124.07606	1.6
127.03920	1.1
131.06377	18.2
132.04771	20.5
135.04396	1.5
142.08659	5.5
145.02798	3.2
147.03523	0.8
147.04393	29.3
148.04753	10.4
149.07423	97.6
159.05872	1.3
161.06067	0.7
163.03914	9.5
164.04254	3.3
165.05437	13.2
177.05455	1.2
184.09770	0.9
236.13567	0.7
240.57037	0.8
243.11551	0.8
259.09625	0.8
261.12601	17.2
310.09998	1.3
313.12140	16.5
383.85495	0.7
425.17471	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	442.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01851	0.5
55.02120	0.3
55.05476	1.9
57.03425	8.5
57.72394	0.3
58.06589	34.6
59.04977	1.3
59.07369	14.8
60.08152	9.9
61.85096	0.3
62.88093	0.3
67.05499	5.5
69.07052	0.8
71.04939	0.4
73.02869	0.5
75.04454	4.7
79.05466	5.7
80.55754	0.3
81.03397	1.2
81.07039	5.0
83.04938	2.3
84.08092	0.5
84.72581	0.3
85.02908	2.7
87.04453	6.5
91.05454	4.2
93.07016	3.1
95.04927	0.7
95.08571	2.6
97.02860	0.3
97.06516	0.6
100.11205	0.5
103.03880	0.6
105.05441	0.6
105.06990	2.2
107.04990	0.4
107.08565	0.5
109.10135	0.4
113.05936	0.5
119.08531	1.9
123.07980	0.4
126.96435	0.3
129.06947	1.3
130.08620	0.4
131.07014	2.0
131.08498	0.4
133.10094	0.5
144.10181	9.4
147.11623	0.4
159.06554	0.3
159.11670	0.7
162.11234	5.2
171.11623	0.5
218.13893	0.8
236.14877	100.0
424.26776	12.4
442.27908	59.1
443.28070	0.5
461.91873	0.4
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
52.17093	1.2
53.03913	2.0
55.01865	7.2
55.05489	2.2
57.03429	31.8
59.04972	2.4
60.86553	2.2
60.93102	1.4
61.02902	10.4
67.05509	1.5
69.03413	58.1
69.07057	1.6
72.17591	1.5
72.22096	1.5
73.02902	54.9
73.59841	1.3
75.04456	2.0
79.05486	1.6
81.03404	9.4
81.07040	1.8
85.02889	100.0
85.98040	1.6
86.43038	1.5
87.04447	22.7
91.03947	2.1
91.05469	1.7
92.64893	1.3
97.02866	60.5
97.06535	13.5
99.04438	3.0
103.03924	1.6
109.02866	10.3
112.10468	1.5
114.37583	1.8
115.03911	35.6
115.04643	2.5
118.52197	1.5
123.06862	1.4
127.03886	26.3
133.04927	30.0
142.12257	1.4
145.02827	1.8
145.04939	24.8
145.06445	5.7
147.04378	14.9
149.95366	1.4
157.68497	1.6
159.04378	6.0
163.03880	16.0
163.05937	13.7
173.02245	1.6
184.95566	1.6
201.09084	12.2
223.05865	1.7
232.98927	1.7
239.09480	1.7
241.06949	3.3
245.11667	2.1
259.09708	7.4
265.61115	1.6
277.08527	1.8
293.19537	1.6
303.53476	1.6
309.09708	1.8
424.30511	1.8
428.33167	1.8
442.31927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13311	1.6
53.00297	1.8
55.01855	2.6
55.05503	3.2
57.03174	2.2
57.03434	36.2
61.02908	7.8
67.05486	1.8
69.03074	2.9
69.03423	64.5
69.07052	3.0
71.04984	2.0
71.08610	3.9
71.77785	2.0
72.20074	1.6
73.02895	19.3
75.04459	3.2
79.04512	1.7
79.16403	1.8
81.03380	4.2
83.08579	2.1
85.02898	100.0
85.06531	2.0
87.04459	32.9
88.11243	4.4
94.91456	1.9
97.02879	52.1
97.06525	14.1
100.11253	7.3
103.03916	2.6
109.02869	3.2
115.03905	37.9
119.04915	2.5
127.03897	23.6
133.04956	36.5
135.04390	2.3
143.57668	2.1
145.04950	29.7
145.06458	7.9
146.99649	2.4
147.04376	15.6
150.07596	2.7
159.04393	11.4
163.03886	11.3
163.06020	9.7
170.15359	17.6
182.15353	12.0
198.14876	11.8
201.09070	22.3
203.66769	1.9
203.78404	1.8
210.14894	8.5
224.47447	1.9
245.11513	2.6
259.09973	2.0
271.02298	2.2
295.10422	2.8
337.20859	2.1
424.31406	2.6
442.24890	4.0
442.32419	10.6
443.18817	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	442.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71501	0.2
61.55961	0.2
67.05482	1.2
69.03375	0.4
69.55427	0.3
79.05464	0.3
81.03414	0.4
81.07051	0.4
85.02896	0.6
87.00784	0.3
90.08089	0.3
91.05444	1.3
95.57687	0.3
97.02860	0.5
97.06509	0.3
100.56397	0.3
105.07008	7.3
115.05409	0.5
116.98613	0.4
117.06995	4.6
119.08568	8.9
127.03899	0.4
128.06165	0.5
129.06975	5.8
130.07765	2.1
131.08545	11.8
135.25229	0.3
142.07770	1.4
143.08534	1.2
144.09320	23.6
157.10095	3.3
159.11662	100.0
160.12025	0.4
215.06932	0.3
224.39323	0.3
243.17679	0.3
388.56171	0.3
401.16574	0.3
418.25647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
57.03413	1.3
57.07062	5.4
67.05500	11.2
69.07062	13.1
71.08624	2.1
79.05472	6.8
81.07040	53.4
83.08611	6.9
83.70042	1.4
91.05466	3.0
93.07020	17.9
93.52103	1.2
95.08585	50.8
97.10129	5.1
99.08087	9.8
105.07031	8.0
105.34974	1.2
105.47413	1.2
107.08584	25.8
109.10149	32.8
111.08081	5.1
111.88333	1.2
119.08585	12.5
121.10125	19.5
123.08058	5.8
123.11678	18.7
131.08585	2.5
133.10123	10.1
135.08011	2.2
135.11630	11.8
137.09598	15.7
137.13223	7.9
139.11205	5.5
145.10107	5.7
147.11700	7.4
149.13220	13.9
151.11153	25.0
157.10210	2.3
159.11705	3.2
161.13258	6.4
163.11205	2.1
163.14787	7.9
165.12715	8.7
173.13211	2.1
175.14806	5.3
177.12711	2.8
177.16348	2.2
179.14279	20.9
187.14828	3.0
189.16388	2.9
191.17894	2.2
193.15897	6.6
201.16386	3.2
203.17967	1.6
205.19444	2.7
207.17442	6.9
218.25671	1.3
219.17429	7.4
229.19434	2.2
233.18884	9.2
247.20424	1.8
261.22125	1.9
275.97571	1.5
325.28778	7.5
343.29895	100.0
344.30182	2.2
398.54691	1.6
423.36050	6.9
441.37277	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05500	14.3
57.07072	4.9
65.78139	1.7
67.05496	20.8
69.03416	39.7
69.07059	35.1
79.05485	12.1
81.07038	66.9
81.07471	3.6
83.08606	15.9
91.05479	9.0
92.64235	2.4
93.07030	37.8
95.08589	100.0
97.06521	33.6
97.10158	10.9
105.07019	24.2
107.08587	66.4
109.06515	8.4
109.10149	66.7
109.79154	1.8
111.08062	3.1
117.06991	3.3
119.08568	39.0
121.06487	2.6
121.10125	46.9
123.08070	11.2
123.11676	39.9
125.05971	4.0
125.09600	50.9
131.08571	10.3
133.10110	46.6
133.11037	3.0
135.08072	4.3
135.11674	50.4
137.13242	20.1
139.11150	2.7
141.09119	8.6
145.10074	17.1
147.08026	2.2
147.11682	32.2
149.13217	38.3
151.11194	3.4
157.10144	11.6
159.11630	17.0
161.09605	2.4
161.13257	14.9
163.11223	3.0
163.14799	40.6
165.12793	2.5
167.10577	5.0
171.11699	10.0
173.13251	11.7
175.14731	14.6
177.16418	4.7
185.13298	10.4
187.14848	10.7
189.16397	7.7
191.17902	69.4
199.14816	9.0
201.16356	3.5
203.14268	4.9
203.17897	4.6
205.19530	14.9
211.14934	3.6
213.16469	3.4
215.17978	2.8
217.15962	3.6
217.19615	3.4
224.15642	2.8
227.17952	2.8
231.17354	8.6
231.21059	3.3
249.18568	2.3
259.20596	2.6
267.21097	4.9
273.22253	4.6
281.22437	2.3
285.22198	4.4
302.72092	2.4
339.30640	3.3
391.71213	2.4
397.37375	2.0
405.34933	20.6
423.36160	53.2
441.37115	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05492	4.9
57.07052	3.3
57.14656	0.8
65.38445	0.6
67.05486	8.3
69.03423	1.0
69.07053	13.4
79.05492	1.5
81.06641	0.7
81.07034	24.9
83.04956	1.8
83.08620	6.0
91.05457	3.0
93.07021	11.5
95.08578	33.1
97.10139	6.1
98.31767	0.8
102.96441	0.9
105.06994	8.3
107.08581	18.0
107.60130	0.7
109.06499	1.9
109.10131	20.6
111.11697	1.4
119.08539	10.9
121.06484	1.6
121.10110	20.0
123.07999	3.1
123.11674	18.8
124.51794	0.9
125.13271	0.9
127.82497	0.9
131.08548	1.8
133.10107	13.5
133.40793	0.8
135.08047	3.0
135.11665	11.6
137.09589	1.1
137.13223	14.0
139.11186	1.4
145.10110	3.6
147.08029	1.6
147.11646	8.4
149.09596	33.7
149.13242	8.6
151.11081	1.0
157.10135	3.3
159.11655	4.7
161.09595	7.0
161.13235	4.5
163.11151	6.8
163.14784	11.8
165.12767	6.9
171.11662	1.0
173.13217	4.1
175.11148	5.0
175.14783	8.8
177.12729	4.1
177.16382	1.5
187.14722	1.1
189.16385	5.4
191.14313	4.5
191.17894	12.1
193.19522	3.7
199.14807	1.3
201.16389	1.4
203.14285	1.8
203.17924	1.1
205.15800	1.9
205.19608	0.9
213.16319	1.1
215.17819	1.2
217.15862	10.3
219.17581	0.9
229.15883	1.0
231.17419	9.5
231.21051	3.3
245.19084	1.1
264.68988	0.8
271.24188	1.0
273.22089	0.9
287.23721	1.4
405.34979	0.9
423.36118	100.0
424.36243	0.9
441.37076	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05502	15.5
57.07071	7.4
67.05492	15.5
67.77473	1.5
69.07062	31.5
71.08594	1.9
79.05466	10.3
81.06604	2.1
81.07046	55.9
81.49730	1.4
83.08596	13.8
91.05457	10.2
93.07029	27.4
95.04948	2.6
95.08585	75.4
97.06512	2.3
97.10161	7.4
105.07012	21.9
107.08586	41.0
109.06509	3.7
109.10144	44.1
111.08070	1.4
111.11743	1.6
119.08570	40.9
121.06548	1.7
121.10122	65.1
123.08049	3.6
123.11704	23.9
125.09610	2.5
131.08554	4.0
133.10109	26.8
135.08038	20.3
135.11671	22.8
137.09576	1.8
137.13225	24.9
139.11168	1.7
143.08588	2.1
145.10077	12.4
147.08015	9.9
147.11642	16.8
149.09633	10.7
149.13239	27.2
151.14778	3.6
157.10088	7.0
159.11768	11.1
161.09586	10.6
161.13229	10.3
163.11195	3.4
163.14796	8.2
165.12770	2.4
171.11649	6.5
173.09660	2.3
173.13266	7.3
175.11220	3.6
175.14815	8.3
177.16394	6.5
182.10913	1.6
183.11694	2.4
185.13254	2.7
187.11142	2.0
187.14812	7.3
189.12686	3.3
189.16339	16.8
191.17917	7.1
199.14824	3.0
201.16304	3.9
205.19498	9.0
207.17418	6.8
209.13263	3.2
213.16350	2.5
215.14267	2.7
215.17860	3.0
217.15892	2.2
224.15622	7.6
225.16386	2.8
227.17932	3.7
229.15897	1.8
229.19571	3.3
235.16893	7.6
241.19376	1.7
243.21123	3.7
245.19026	2.4
255.20998	3.6
257.22525	2.2
267.20996	18.4
269.22607	2.1
271.20483	6.4
273.21979	11.8
285.22150	17.2
285.25018	1.8
299.23709	2.5
395.36377	2.3
397.34717	2.6
405.34698	11.6
423.36136	100.0
441.37189	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	(-)-Duryne
Peak:m/z	Relative Intensity
55.05499	3.0
57.07064	2.5
59.05009	0.4
59.63628	0.4
67.05488	3.3
69.07053	8.7
79.05482	2.8
81.07041	15.5
83.08602	3.6
83.87899	0.5
91.05460	2.5
93.07011	6.7
95.08005	0.9
95.08589	21.5
96.62753	0.5
97.10152	2.5
103.73710	0.5
105.07011	4.3
107.08588	8.2
109.06490	0.8
109.10139	9.6
111.08042	0.6
111.11715	0.7
119.08552	8.1
121.06472	0.8
121.10128	11.3
123.08048	1.0
123.11684	8.4
123.29303	0.5
131.08548	1.9
131.92827	0.5
133.10112	7.2
135.08051	0.9
135.11707	5.6
137.09612	2.5
137.13234	9.8
140.99277	0.5
145.10106	2.9
147.08078	1.0
147.11647	5.0
149.09608	13.4
149.13235	4.1
151.11165	0.6
157.10162	2.0
159.11664	2.9
161.09604	4.2
161.13257	3.2
163.11150	4.7
163.14790	4.5
165.12761	1.1
167.10660	2.2
173.13219	2.3
175.11163	2.1
175.14809	3.2
177.12793	2.0
177.16357	0.8
185.13367	0.6
187.14764	1.1
189.12677	1.2
189.16400	2.8
191.14325	2.1
191.17950	3.9
193.19521	0.7
201.16455	1.1
203.14307	1.2
215.17918	0.7
217.15854	5.1
231.17473	1.0
327.26971	0.7
341.28778	0.6
348.91797	0.5
377.63751	0.5
423.36163	16.0
441.37207	100.0
442.37427	2.6
444.57086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.81705	1.6
55.05508	6.5
57.07064	6.4
67.05499	14.1
69.07056	26.5
69.57179	1.4
71.04958	1.7
74.35582	1.4
79.05476	11.3
81.06590	2.7
81.07043	38.0
81.07489	3.3
83.08598	8.7
84.57093	1.5
87.27377	1.9
91.05460	6.8
93.07022	28.4
95.08005	2.7
95.08582	49.2
97.06567	1.6
97.10149	4.0
98.46955	1.3
104.11888	1.4
104.49675	1.6
105.06998	15.7
107.08573	31.6
109.06493	6.4
109.10132	34.3
111.08076	1.8
111.11698	2.0
113.69949	1.7
117.06960	1.9
119.08575	21.7
121.10130	60.5
123.08070	9.3
123.11697	20.1
131.08562	6.9
133.10133	21.5
135.07996	7.6
135.11662	18.8
137.09587	3.2
137.13248	11.3
143.08516	2.6
145.10094	11.1
147.11670	17.5
149.09619	35.1
149.13260	15.7
151.11165	1.9
157.10049	4.0
159.11676	12.8
161.09598	2.4
161.13263	7.1
163.07533	2.5
163.14781	11.2
165.09135	14.3
165.10297	1.5
171.11662	3.5
173.13243	6.1
175.11172	2.8
175.14804	9.4
177.16373	2.5
185.13210	2.4
187.14819	3.5
189.16373	8.6
191.17938	13.0
199.14816	2.7
201.16321	3.5
206.97906	1.7
207.17429	3.6
213.16298	3.0
217.15808	7.1
219.17363	9.7
227.17876	1.9
231.17404	2.5
235.16817	2.0
257.18854	2.6
257.22620	1.7
259.24231	1.5
271.20502	3.1
285.22040	2.0
405.35129	2.1
423.36169	100.0
424.36154	1.9
441.37283	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05497	24.1
57.07055	9.0
65.70510	3.7
67.05487	27.7
69.07053	28.3
79.05472	8.5
81.07032	54.1
83.04961	24.7
83.08614	10.2
91.05455	5.4
92.01525	4.4
92.09360	8.7
93.07030	38.1
95.08594	79.3
105.07013	33.8
107.08593	62.8
109.10145	41.4
109.10765	4.1
119.08566	41.4
121.10102	47.5
123.11687	27.7
131.08542	5.6
132.08914	5.2
133.10143	34.7
134.66066	4.2
135.08028	100.0
135.11620	36.7
137.13251	8.5
145.10091	8.7
147.11646	38.6
149.13258	23.6
157.10147	4.6
159.11620	10.2
161.13208	22.0
163.14795	11.3
165.09158	5.0
173.13219	7.5
175.11198	6.3
175.14732	5.6
177.16348	10.3
191.17816	5.6
203.14339	6.6
203.17932	17.8
217.19435	6.9
395.33203	5.4
421.26083	5.5
423.36380	40.7
441.37531	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.97871	0.4
55.05502	6.0
57.07053	3.4
67.05491	6.5
69.07055	11.4
69.65526	0.5
75.13680	0.5
79.05468	5.7
81.07037	23.3
83.08607	5.4
91.05455	4.3
93.07025	18.7
95.04933	3.0
95.08584	25.3
97.10142	3.3
105.07019	11.4
107.04859	0.6
107.08574	15.7
109.06480	2.6
109.10142	16.3
111.08064	0.6
111.11707	0.8
117.06998	0.7
119.08557	13.0
121.06491	0.6
121.10120	54.9
123.08043	4.6
123.11681	12.6
125.13260	0.8
131.08531	4.8
133.10124	9.9
134.49873	0.5
135.08032	1.2
135.11673	9.4
137.09613	1.2
137.12294	0.6
137.13251	9.9
142.07741	0.5
143.08531	2.7
145.10129	7.7
147.11682	8.8
149.09599	31.8
149.13239	7.1
151.11086	0.6
151.14725	0.6
157.10158	4.4
159.11655	6.3
161.09592	3.2
161.13223	4.5
163.11140	2.3
163.14801	4.3
170.10889	0.6
171.11659	3.6
172.12250	0.7
173.13191	3.8
175.11153	1.3
175.14775	4.4
177.16367	2.4
185.13289	2.2
187.14764	2.8
189.16335	5.7
191.17911	3.4
197.13290	0.6
199.14746	3.6
199.74789	0.5
201.16400	1.0
203.14339	0.6
203.17929	1.3
205.19519	1.0
211.14771	0.7
213.16380	3.5
215.14264	0.9
215.17856	0.8
217.15843	6.3
217.19441	0.7
227.17824	0.5
231.17361	2.1
253.19475	0.7
336.61002	0.6
341.28333	0.7
365.31882	0.9
383.04111	0.6
405.34772	2.2
411.36395	0.7
423.36136	100.0
424.36481	0.9
441.37436	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.21329	2.3
54.85056	2.0
55.05500	5.3
57.07063	5.0
61.93111	2.2
67.02995	2.3
67.05479	13.8
69.07049	16.6
71.08614	3.2
79.05457	5.8
81.07041	40.8
83.08593	14.3
91.05497	2.7
93.07044	19.7
95.04880	3.3
95.08589	60.5
97.10103	3.1
105.07021	13.1
107.08581	20.7
109.10141	33.3
119.08584	18.1
121.10088	47.7
123.11676	37.5
125.91131	2.5
131.08530	4.6
133.10075	20.8
135.08035	4.3
135.11617	18.5
137.13222	37.2
142.25601	2.6
145.10088	12.5
147.11671	12.1
149.13217	5.0
157.10158	4.3
159.11713	12.3
161.13202	3.8
163.14783	4.8
173.13271	3.9
175.14758	5.0
183.11667	2.9
185.54929	2.5
187.14725	3.8
191.17912	4.6
197.13248	3.4
201.16457	10.2
203.17944	3.8
217.19533	4.0
233.18977	5.6
243.21111	2.9
259.24280	4.6
405.35150	24.6
423.36072	33.5
441.37201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55411	4.3
54.24544	4.0
55.05497	31.7
56.52734	3.8
57.07063	8.7
61.92123	4.0
67.05492	8.6
69.07056	45.5
70.29733	5.2
71.04981	7.2
72.63586	4.5
73.06538	10.9
79.05457	11.2
81.07035	84.3
83.04965	10.5
83.08588	5.5
85.61230	4.5
89.04253	4.9
91.05467	9.1
93.07001	28.2
95.04945	20.6
95.08582	100.0
97.10127	5.8
97.94350	5.3
105.06993	22.0
106.00653	5.1
107.08597	54.5
109.06526	37.8
109.10133	57.8
119.08539	25.2
121.10139	43.6
123.08030	8.3
123.11676	36.3
131.08504	6.3
133.10135	48.7
135.11644	33.6
137.09583	24.2
137.13199	28.8
145.10143	6.2
147.11685	27.2
149.13211	35.0
157.10149	5.6
159.11743	9.8
161.13275	9.5
163.14755	24.6
175.14824	9.2
177.16330	6.0
181.12212	25.8
189.16364	8.8
191.17923	51.8
192.70308	5.0
209.15309	29.6
211.16917	9.6
217.19322	5.2
231.20984	5.7
240.51767	6.1
247.20473	7.6
315.26575	5.8
397.34665	46.4
423.35846	6.1
441.37341	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	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03934	3.6
54.61399	0.4
55.01870	9.7
55.05507	12.2
56.05848	1.1
57.03434	20.0
57.07060	0.7
58.01810	0.5
58.03766	1.1
59.04994	0.9
59.08287	0.6
61.02595	0.7
61.02917	19.0
67.05490	4.8
68.99778	0.7
69.03420	41.7
69.07057	49.4
70.03760	5.0
70.07390	8.4
71.01343	4.8
71.04971	4.6
73.02904	97.9
74.03239	8.1
76.58251	0.7
79.05482	3.3
81.03400	12.7
81.07040	6.9
83.04984	1.5
83.08636	0.6
85.02895	100.0
85.10185	0.6
86.03236	9.2
87.00820	5.7
87.04449	5.9
87.52484	0.6
91.03925	1.5
91.05459	4.8
93.07021	6.0
95.04939	4.5
95.08599	6.5
97.02877	53.5
97.06525	3.3
98.03214	6.4
99.04430	6.1
99.08096	1.3
103.03935	3.4
104.99214	0.7
105.01880	0.9
105.07015	8.0
107.08578	6.7
109.02866	11.7
109.06515	3.5
109.10155	2.6
110.03187	1.5
111.04395	1.3
111.11713	11.4
112.12051	4.0
115.03919	21.1
116.04250	1.1
117.06989	1.2
119.08551	9.0
121.06599	0.7
121.10128	2.9
123.04423	0.7
123.08052	1.0
123.11711	1.2
125.06038	0.6
127.03896	22.0
128.04230	4.2
129.01831	1.0
131.08575	4.3
132.06627	0.8
133.04948	16.0
133.10120	14.1
134.05298	2.8
135.08066	0.9
135.11690	3.9
137.06017	1.2
139.03951	0.6
142.07790	0.7
143.08560	1.4
145.04935	21.9
145.06062	0.9
145.10069	1.3
146.05301	3.8
146.56267	0.6
147.08025	1.3
147.11713	3.6
150.07617	2.6
150.33774	0.6
151.11111	0.8
156.04149	0.7
156.09290	0.8
157.10097	2.6
159.11662	1.3
161.09706	1.2
161.13258	0.7
163.03915	1.4
163.06020	9.2
164.06239	0.9
169.10062	0.9
171.11678	2.8
173.04565	0.7
173.13266	3.4
175.14728	5.2
181.04900	0.9
185.09677	0.6
185.13205	0.6
193.04962	0.8
193.15878	1.4
197.13275	0.8
199.14912	0.8
212.45779	0.6
217.07178	1.0
217.15826	1.6
223.06010	3.0
231.05247	0.7
241.07036	3.9
242.07393	1.4
243.15857	1.1
259.07919	5.7
260.08279	2.4
277.18103	1.1
295.10175	1.4
297.04019	0.7
301.17679	0.7
405.19012	1.0
432.19543	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
55.01861	10.6
55.05503	24.4
57.03414	12.6
57.07068	5.1
57.59879	2.4
58.57824	1.9
60.13020	1.9
61.02909	10.5
65.03690	2.0
67.05489	20.7
68.05814	1.9
68.99775	5.7
69.03412	28.9
69.07056	34.5
71.04973	12.2
73.02897	5.0
75.50543	2.1
77.84910	2.1
79.05456	17.1
81.03411	29.3
81.07035	30.3
83.08611	17.8
84.08922	3.0
85.02892	53.9
87.00813	27.2
87.04417	2.8
91.05436	18.2
93.07040	23.0
95.04962	33.6
95.08591	38.5
96.08944	2.3
97.02862	29.0
97.06507	10.9
97.10143	10.0
99.04448	12.0
99.08060	4.8
105.01846	5.4
105.07039	29.6
107.08568	26.5
109.02856	16.2
109.06490	21.1
109.10148	23.2
111.04437	4.9
111.11727	2.3
112.48283	2.3
115.03904	3.0
117.01772	2.4
117.06993	4.4
119.08566	58.8
121.06464	10.0
121.10148	17.0
122.73506	2.6
123.04424	4.2
123.08062	5.7
123.11652	14.8
127.03898	20.8
127.07513	2.7
129.01816	5.4
129.06992	5.0
131.08537	23.9
133.10109	100.0
135.04419	4.5
135.08026	5.1
135.11668	23.8
137.05942	13.8
137.09619	4.6
141.06956	2.3
143.08528	5.4
145.10103	17.1
147.08009	5.0
147.11670	15.8
149.13135	3.4
155.08578	3.3
156.09361	4.1
157.10109	10.1
159.02846	4.4
159.08022	5.3
159.11674	17.8
161.09598	20.9
161.13194	4.8
163.03879	28.0
164.04198	9.3
171.11665	13.3
173.13188	29.7
175.11185	4.4
175.14793	40.3
181.10098	3.6
183.11713	11.9
185.09604	2.8
185.13205	4.2
187.14786	9.8
189.16435	19.1
190.16653	4.5
191.14278	4.7
193.15852	11.1
197.13191	3.9
199.11166	2.5
203.14302	5.9
207.17398	3.9
217.15878	13.0
225.12764	3.6
225.18527	4.4
235.16902	16.2
241.15930	3.3
243.19508	16.0
244.19658	3.0
251.13173	2.8
259.09747	3.2
277.09644	2.8
277.17892	8.9
283.16870	3.0
301.17963	4.5
353.06949	3.1
355.03195	2.4
405.19061	5.3
423.20016	11.8
441.21246	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01857	12.9
55.05510	20.7
55.63589	2.2
57.03425	13.8
57.07077	2.8
61.02925	5.7
67.05502	13.4
68.99777	3.4
69.03414	46.9
69.07060	16.7
71.04966	6.4
73.02901	13.9
77.30298	2.6
79.05481	18.0
80.26385	2.4
81.03396	34.3
81.07041	34.4
83.04961	3.0
83.08606	9.3
85.02888	90.9
85.06520	28.6
87.00814	44.1
87.87785	2.1
90.21559	2.1
91.05467	28.9
92.94044	2.4
93.07030	32.5
95.04974	4.5
95.08585	20.6
97.02876	32.9
97.06534	10.6
98.99984	2.6
99.04433	12.9
103.05486	3.7
105.01850	23.0
105.07011	71.1
107.08583	43.6
109.02889	30.5
109.06511	2.9
109.10154	13.3
115.03911	5.0
117.01846	3.6
117.07005	10.8
119.04868	2.8
119.08562	100.0
121.10139	13.1
127.03882	38.4
129.07022	4.3
131.08568	24.8
133.10110	66.7
135.07990	2.5
135.11681	15.6
141.07036	3.2
142.07764	12.3
143.08528	17.3
145.04913	3.5
145.10115	20.9
147.04437	4.3
147.11707	12.4
149.09602	5.3
155.08548	4.4
156.09285	4.4
157.10106	24.1
158.10875	3.9
159.02855	14.0
159.08002	4.8
159.11684	14.1
163.03877	13.6
164.58791	2.9
169.10144	10.3
171.11693	11.7
173.13234	23.2
175.14761	43.3
181.10118	4.1
183.11589	2.6
185.13301	5.6
193.15822	4.1
195.11707	3.5
197.13223	5.4
198.52158	2.6
199.11154	3.6
199.14816	4.2
207.11487	2.9
209.13210	3.3
210.29630	2.9
211.14951	4.5
265.02710	2.7
283.16891	5.3
382.67737	2.9
397.18060	6.0
423.20050	10.0
441.17023	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	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	25.2
55.01873	2.5
55.05505	7.6
57.03434	14.4
57.07060	2.2
61.02924	3.6
67.05490	11.9
68.99772	10.8
69.03069	3.2
69.03419	64.8
69.07052	11.3
71.04985	22.0
79.05479	4.2
80.05013	1.7
81.03407	85.4
81.07031	20.4
83.04967	7.6
83.08601	3.3
85.02892	79.7
87.00809	24.8
91.05466	13.6
93.07030	10.8
95.04878	2.2
95.08599	19.7
97.02875	23.0
99.04433	27.8
99.08082	2.2
105.01855	4.0
105.07037	11.8
107.08590	19.3
109.02872	68.8
109.06490	4.3
109.10150	52.4
119.04924	17.1
119.08578	17.5
120.05274	3.7
121.10125	14.0
123.08057	8.2
123.11699	9.9
127.03899	100.0
129.01907	2.0
131.08606	2.8
133.10112	26.4
135.04463	2.3
135.11682	35.9
136.37395	1.8
137.09628	11.1
145.04935	2.2
145.10139	3.1
146.31870	1.7
147.04391	72.7
147.11658	2.4
148.04681	16.6
149.05000	2.7
149.13277	2.5
151.11157	18.6
151.14780	3.0
159.11664	2.9
163.03886	15.1
170.10905	2.3
171.11662	7.1
173.13234	3.3
175.14835	20.6
185.13245	3.5
187.14777	2.1
193.15842	17.0
211.16901	3.6
213.03917	25.4
231.04953	6.6
279.04590	2.0
309.09387	2.3
423.20224	3.4
441.21063	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	441.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76376	1.3
53.03940	14.6
54.81711	2.5
55.01866	22.4
55.05498	13.5
57.03419	11.1
59.30919	1.4
61.02907	13.0
67.05482	12.5
68.88298	2.0
68.99779	4.8
69.03418	35.0
69.07053	4.3
71.01337	2.4
71.04975	19.5
71.05619	1.7
73.02904	16.1
76.39549	1.8
78.08166	1.7
79.05479	19.5
81.03402	52.0
81.07024	13.2
83.04959	4.0
85.02893	85.4
87.00811	47.2
87.04466	3.3
91.05463	68.4
92.09276	3.7
93.07021	30.9
95.04953	15.9
97.02881	42.6
97.06492	4.6
99.04433	11.1
103.03958	4.2
103.05424	2.4
105.01850	12.2
105.07016	78.1
107.04936	4.8
107.08567	14.6
109.02859	33.8
109.06525	2.8
111.04410	2.5
115.03909	8.0
115.05431	2.6
117.01852	8.9
117.07015	23.5
119.08564	49.2
121.06447	4.0
121.10173	2.7
123.04378	3.0
127.03886	28.0
128.06197	12.7
129.01802	2.7
129.06993	31.6
131.08545	55.7
133.06432	9.5
133.10106	100.0
135.04427	3.8
135.08000	4.9
141.06964	10.9
142.07730	10.1
143.08542	24.8
145.04938	4.8
145.06448	4.9
145.10109	26.9
147.08038	8.6
147.11636	18.2
149.05945	2.2
150.91592	2.0
153.06952	4.7
154.07735	3.3
155.08534	11.8
157.06497	3.8
157.10110	31.4
159.02858	16.2
159.08046	8.2
159.11646	8.2
163.03935	2.8
165.06992	3.6
166.07787	2.3
167.08540	8.0
169.10086	10.8
171.07997	3.1
171.11581	15.0
173.09557	9.8
173.12991	1.9
175.11157	43.2
179.10765	3.3
181.06458	2.1
181.10098	8.5
183.11707	3.1
185.09584	4.7
187.11134	8.6
189.03886	3.4
189.12732	8.0
191.10594	8.9
193.12213	54.8
195.07982	2.7
195.11613	3.9
197.09592	3.7
199.11147	12.8
201.12782	4.4
203.10626	4.7
205.10384	2.1
205.12236	13.2
207.13808	2.0
211.11153	4.2
215.10732	2.3
217.12151	15.3
219.11685	2.2
223.11140	4.0
227.10820	3.0
229.12267	8.3
235.13228	9.6
241.12143	4.6
255.13718	4.4
259.13159	4.6
265.12106	3.4
271.13580	1.9
273.14807	3.1
283.13275	24.1
300.26807	2.3
301.14252	13.2
319.15308	3.6
352.12024	4.9
405.15262	8.2
423.16168	4.2
441.16660	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66338	0.2
51.81703	0.3
53.00291	0.3
53.03920	0.7
53.86091	0.3
55.05492	1.8
57.03416	2.0
61.02914	0.4
67.01865	0.4
69.03416	16.5
69.07056	10.7
70.06541	0.4
71.04964	1.4
73.02882	0.5
78.12572	0.3
79.05467	1.3
80.04991	0.8
81.03396	3.0
82.45036	0.3
83.04984	0.7
85.02891	4.4
87.00808	0.7
87.04480	0.4
89.03899	5.6
91.05470	3.5
95.04941	0.5
97.02868	9.6
97.06516	0.4
98.03202	0.4
98.06051	0.6
99.04424	2.7
105.07008	0.6
107.04938	3.0
109.02863	1.9
110.97493	0.4
111.11714	1.8
115.03965	0.5
117.03352	8.2
119.04928	9.3
119.08580	0.8
120.05234	0.5
124.07578	4.9
125.07922	0.6
127.03850	0.7
129.12712	2.9
131.08517	0.5
133.10031	0.4
135.04393	21.7
136.04657	0.3
145.02826	13.8
145.03935	0.8
147.04393	30.1
147.13763	0.5
148.04730	3.4
163.03873	100.0
164.04195	1.6
165.05573	0.5
175.14780	0.6
176.15167	0.5
181.04871	0.6
185.92020	0.4
189.05663	0.4
193.04930	56.3
194.54239	0.3
205.04929	1.5
219.08540	0.4
225.02954	0.4
235.05978	1.4
301.06943	0.7
307.08270	0.5
307.35251	0.4
309.09665	1.6
325.09103	5.5
367.24063	0.4
441.10168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05493	1.2
57.32736	0.7
67.05484	1.3
69.03405	8.7
69.07042	3.8
70.06573	1.8
79.05492	1.0
81.03370	1.2
81.07032	1.0
83.04951	1.6
85.02863	3.2
85.06526	0.9
86.09679	1.2
89.03871	3.5
93.07015	1.3
97.02859	4.8
97.06440	1.0
99.04411	1.5
111.11413	0.8
113.02099	1.7
115.07528	1.0
117.03349	2.1
121.10101	1.8
121.57152	0.9
127.03880	1.3
127.07527	1.3
135.04388	14.1
137.02266	1.4
139.11179	7.3
140.11494	1.1
145.02798	11.1
147.04431	1.2
163.03865	63.6
164.04166	1.1
181.12212	1.1
182.66531	0.8
185.04182	3.7
189.05170	0.9
192.95177	0.9
199.13185	9.5
200.13554	1.7
201.03633	1.6
204.07561	4.6
216.85316	1.0
221.06041	0.9
238.18181	0.8
244.16196	0.9
244.49945	0.8
247.30734	1.0
295.24792	1.1
325.09064	3.3
398.11795	0.9
441.17212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47851	0.7
54.43907	0.8
56.96281	1.6
56.96556	38.8
69.35477	0.8
79.05519	0.9
84.96023	18.8
85.02894	1.5
92.09256	1.4
97.02858	1.6
97.03790	0.8
98.97562	100.0
102.97038	3.5
110.97553	35.9
110.98243	1.1
112.99113	6.0
116.98602	55.7
128.98584	47.9
131.00128	11.0
134.99626	20.7
140.98593	4.2
143.00142	11.3
144.98053	4.4
146.99640	30.0
147.04381	1.2
149.01181	4.9
158.99663	10.3
161.01196	21.4
162.99106	4.6
163.03883	4.8
165.00639	2.1
170.99615	5.6
175.00642	1.1
177.00655	10.7
179.02269	4.3
189.00674	10.1
191.00044	1.0
193.01775	4.6
201.00642	7.5
207.01694	1.4
209.01190	5.4
211.02766	5.4
218.99657	5.2
219.01709	38.4
221.01134	1.0
229.03790	3.7
237.00630	13.1
237.02759	82.1
239.02171	1.8
255.01645	30.1
255.03880	4.4
273.02768	37.2
297.02917	1.7
311.04584	1.2
315.01620	1.4
333.02698	8.4
339.03891	3.1
341.04999	1.0
351.03961	3.4
381.04767	18.7
399.05899	83.6
417.06964	4.2
422.07410	1.1
424.41824	0.9
424.73422	1.0
437.35132	1.0
441.06949	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	441.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
54.81496	0.5
55.01872	3.3
57.03423	4.6
61.02918	3.5
64.06021	0.4
68.79790	0.3
69.03416	18.3
71.04991	1.5
72.08128	0.8
73.02911	3.0
81.03407	4.3
83.01308	0.5
84.04495	2.2
85.02892	67.1
87.04467	0.5
91.03925	1.8
97.02874	26.0
98.98449	100.0
99.04438	5.8
101.02334	1.3
102.05550	1.8
109.02865	10.2
114.36468	0.6
115.03954	1.8
116.07072	0.7
116.98681	0.9
116.99494	3.2
127.03896	31.5
128.98572	0.7
130.04955	0.5
145.04942	20.2
145.06087	0.8
148.05994	0.5
158.99690	0.5
162.07703	0.4
163.03873	0.5
163.05995	6.6
201.00737	0.8
225.01547	6.1
243.02573	1.1
254.01468	0.5
261.03656	18.5
279.04318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.07069	41.2
57.71459	0.8
62.06992	0.9
69.07062	1.9
71.08615	34.9
73.06538	6.1
76.63663	1.1
79.05505	1.1
81.07022	1.1
83.08588	2.2
85.10169	26.7
87.04419	1.7
89.06015	100.0
90.81284	1.0
91.05470	1.1
93.07043	2.0
97.10204	1.4
107.07045	2.4
107.08622	1.1
117.09095	1.3
133.08583	25.6
141.16414	2.1
155.59541	1.0
177.11235	11.4
178.67915	1.0
185.18968	1.6
190.59987	1.1
193.46861	1.0
196.12524	1.2
200.31613	1.0
229.21527	8.0
273.24149	2.2
283.17581	11.0
379.30414	1.7
423.33118	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	440.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01852	5.2
55.05500	67.9
57.03416	8.9
57.07058	20.0
61.02906	4.9
67.05493	51.2
69.03425	34.8
69.07050	80.1
71.04967	17.5
72.34024	3.5
73.02895	23.4
79.05476	20.3
81.03394	19.9
81.07039	68.0
83.04950	5.5
83.08608	81.2
85.02890	82.3
85.06503	21.9
87.00804	17.8
91.05466	31.2
93.07018	40.7
95.08585	85.2
97.02867	40.1
97.06513	48.1
97.10160	61.6
98.06870	4.9
99.04431	5.3
99.08110	5.0
105.01816	6.8
105.07024	20.8
107.08572	43.3
109.02808	16.5
109.10156	63.5
111.08074	19.8
111.11696	8.6
119.08559	25.5
121.10147	37.7
123.11681	35.6
125.09544	7.8
127.03866	30.2
133.10088	49.4
137.02231	4.6
137.09569	5.8
137.13184	4.1
145.02837	4.9
145.04800	4.3
147.04408	6.1
147.11687	24.6
149.13214	4.7
151.11104	6.0
157.15881	8.6
161.13205	6.9
163.03880	29.1
164.04199	8.9
165.16385	5.5
173.02280	16.2
189.16356	86.7
207.17447	54.4
215.06834	6.1
216.07314	17.6
224.46553	3.9
225.18442	87.2
243.19499	100.0
252.63290	4.2
259.09613	9.4
260.09903	25.0
261.20575	29.8
267.02435	4.6
292.74423	4.3
405.54950	4.5
412.88193	4.2
440.16245	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	440.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01625	1.2
55.01867	15.4
55.05507	46.1
57.03426	3.8
59.04976	0.8
61.02897	1.0
61.09015	0.8
65.06790	0.9
67.05495	26.9
69.03409	5.2
69.07056	19.7
71.04963	4.0
79.05475	42.5
81.03392	5.2
81.07039	64.8
83.04974	12.6
83.08607	23.5
85.02908	1.5
91.05465	21.7
93.07024	24.9
95.04945	22.8
95.08581	12.6
97.06518	4.7
97.10151	34.0
99.04429	1.8
105.03371	1.1
105.07019	17.9
107.04929	9.9
107.08585	20.3
109.06504	8.6
109.10136	9.8
111.04430	17.4
111.08082	6.4
117.07003	17.3
119.04948	1.3
119.08564	28.1
121.06492	10.7
121.10124	11.2
123.04405	0.8
123.08056	11.3
123.11728	1.0
125.09605	20.3
129.06996	5.7
131.08537	12.3
133.06485	3.6
133.10088	6.0
135.08061	8.8
135.11652	7.4
137.09589	3.8
143.08562	5.7
145.10107	15.6
147.08025	19.1
147.11684	2.1
149.09608	5.2
153.09108	6.5
153.12743	5.3
155.08556	1.4
157.10097	4.8
159.07986	1.3
159.11716	4.0
161.09647	6.6
163.11166	12.8
165.09087	4.8
171.11678	2.2
173.09605	2.3
175.11176	1.7
181.12245	6.7
185.13251	3.6
189.11153	10.5
191.10677	5.3
209.11662	1.5
223.13243	5.2
227.12793	7.3
227.17923	1.8
237.16367	1.1
245.18893	3.5
249.14830	4.3
255.17393	4.0
273.18488	21.7
275.16217	1.3
291.19498	100.0
309.20557	3.8
403.15421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01865	9.1
55.05507	12.2
57.03176	1.1
57.03431	21.4
57.07062	0.6
58.18822	0.5
58.52997	0.6
59.04984	1.0
61.02642	0.8
61.02918	17.8
67.05492	4.2
69.03419	38.8
69.07059	55.4
71.01369	6.1
71.01676	0.8
71.04967	1.3
73.02904	100.0
79.05485	1.2
81.03407	7.4
81.07040	3.1
83.04959	1.0
85.02894	98.0
87.04439	4.7
91.03930	1.7
91.05437	1.3
93.07056	0.8
95.04935	1.0
95.08564	1.4
97.02875	53.0
97.06506	2.9
99.04410	5.1
103.03911	2.8
104.39561	0.7
105.07021	0.8
107.04900	0.7
109.02861	8.8
109.10144	1.3
111.11708	14.7
115.03911	22.2
121.06477	1.2
127.03900	21.4
133.04958	20.1
135.04401	1.1
135.11588	0.8
145.04947	23.2
150.07594	1.4
163.03909	1.0
163.05992	12.1
195.13742	0.8
198.31125	0.9
199.05898	0.9
207.13766	0.8
223.05945	5.2
241.07065	5.1
243.15865	1.5
259.08014	8.1
260.09985	1.0
277.09146	1.3
295.10046	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	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76103	0.7
53.03927	0.9
53.91988	0.7
55.01854	2.8
55.05268	1.0
55.05510	18.5
57.03433	43.5
57.07063	1.1
59.04989	1.9
60.04517	0.8
60.99783	0.6
61.02638	0.9
61.02922	14.6
66.59794	0.6
67.05492	4.4
69.03419	55.9
69.07059	81.2
71.01350	4.4
71.04976	1.0
73.02904	69.0
73.87366	0.6
75.93221	0.7
79.05473	3.5
81.03416	7.9
81.07040	3.2
83.04974	1.2
83.08616	1.1
85.02894	100.0
87.04450	14.6
91.03947	2.7
91.05465	1.0
93.07021	1.7
95.04937	1.0
95.08587	3.0
96.04455	0.9
97.02876	61.9
97.06505	7.7
99.04453	5.8
103.03929	1.9
105.07029	1.3
107.08549	1.0
109.02887	8.8
109.10154	1.2
111.04416	0.9
111.08086	0.9
111.11712	23.5
115.03914	38.8
127.03909	20.0
132.06596	1.4
133.04942	15.3
145.04944	19.8
150.07600	4.6
151.11130	0.8
163.03871	4.2
163.06029	11.8
164.04205	1.9
173.02278	1.8
174.02583	1.3
191.63173	0.7
200.28992	0.8
213.44177	0.8
215.07088	1.6
216.07407	4.3
223.05887	1.3
241.07025	4.3
259.07962	3.6
260.09921	1.8
295.10132	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	440.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21761	0.1
53.03938	0.4
55.05518	1.5
55.05733	0.2
57.03432	0.3
61.02932	0.3
67.05498	0.2
69.03416	4.3
69.07048	0.4
71.01324	0.2
79.18483	0.2
81.03417	0.8
82.27052	0.2
83.04964	2.1
85.02892	3.7
86.09692	100.0
87.04465	0.2
87.09972	0.2
97.02875	4.0
97.16505	0.2
98.97551	0.4
99.04437	0.7
99.94736	0.2
109.02895	0.2
111.04430	9.4
115.03915	0.5
126.05452	0.3
127.03906	1.9
128.73276	0.2
129.05473	0.4
132.10182	45.5
145.04926	0.3
164.05653	0.4
182.11736	0.9
210.11234	1.4
228.12210	0.8
237.02567	0.2
241.06935	0.2
259.08026	0.7
350.32413	0.2
358.33734	0.2
434.38382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05572	0.2
53.03943	0.5
55.01857	0.5
55.05490	0.2
57.03420	1.3
58.03444	0.2
63.02649	0.2
69.03410	3.1
69.07048	1.6
71.05013	0.4
73.02902	0.3
77.33844	0.2
79.05464	1.2
81.03400	6.8
85.02897	4.2
86.03775	0.3
87.00822	1.0
89.03904	3.7
91.05472	0.5
93.07014	0.4
95.04965	0.5
97.02872	5.1
97.06502	1.4
99.04451	0.5
105.01876	0.9
107.04942	1.5
109.02876	1.9
111.11726	0.3
117.03371	5.2
119.04906	1.7
121.10129	0.4
127.03903	2.0
133.02821	0.6
135.04402	16.9
137.02322	1.2
139.11189	0.4
141.07050	0.4
145.01680	0.5
145.02837	14.6
145.04823	0.3
147.04391	5.2
157.12227	1.3
159.02893	0.3
163.03882	100.0
164.04236	1.1
169.06509	0.5
173.02330	0.4
181.04939	0.6
187.07588	0.3
197.05980	0.3
215.06944	2.5
216.07372	0.4
219.38278	0.3
243.06482	0.5
257.24631	0.3
259.09607	0.4
285.12173	1.0
325.09137	13.3
345.06198	0.3
401.90585	0.3
405.11862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.64953	1.1
53.29074	1.3
55.05491	7.6
57.07064	6.6
61.97045	1.3
67.05493	19.0
69.07057	25.5
78.94267	1.4
79.05468	12.0
80.72360	1.5
81.07038	36.4
83.08591	7.8
89.06008	6.8
90.21782	1.4
91.05460	3.3
93.07030	26.0
95.04928	2.2
95.08572	41.7
95.23000	1.7
96.53860	1.3
97.10137	1.8
102.84218	1.5
105.07009	16.6
107.08579	41.6
109.06520	2.2
109.10145	58.9
111.08072	1.5
119.08561	22.0
121.10134	28.8
123.08042	3.0
123.11692	17.3
125.09612	1.9
131.08524	6.5
133.08578	2.1
133.10086	18.8
135.08028	8.4
135.11623	15.0
137.05957	8.0
137.09610	3.1
137.13232	8.7
143.08545	2.6
145.10112	9.9
147.08011	8.6
147.11696	11.2
149.09602	8.5
149.13226	58.8
157.10066	6.7
159.08110	2.1
159.11653	7.8
161.09618	3.7
161.13248	8.6
163.11156	1.7
163.14790	3.4
165.16319	13.3
171.11690	2.6
173.13194	6.5
175.11159	2.9
175.14771	6.6
177.16393	1.9
183.11740	3.6
185.13249	8.0
187.11151	6.5
187.14798	3.7
189.12677	1.9
189.16388	2.8
191.17908	2.0
195.11649	2.1
197.13171	7.2
199.14844	6.3
201.16451	2.2
211.14771	2.7
213.12650	3.3
213.16240	2.5
217.12225	2.9
223.14725	5.7
225.16310	2.4
227.14291	1.8
227.18004	2.5
229.19577	2.5
231.13773	2.8
239.14754	2.2
239.17780	1.5
241.19446	1.6
243.21037	6.0
255.20934	3.5
257.22498	3.5
265.19489	9.2
267.21490	1.8
271.20514	6.5
273.22147	11.1
275.19852	2.1
283.20526	10.1
285.22083	2.8
301.21552	2.5
335.27161	3.7
350.22662	1.9
355.26300	11.9
378.32822	2.5
379.29816	11.8
403.33377	8.4
421.34555	100.0
439.35620	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.07067	1.7
61.70364	0.6
62.86379	0.7
63.61591	0.7
65.03883	0.7
67.05474	5.3
69.07054	10.9
70.96647	0.7
79.05476	4.1
81.07035	14.4
83.08613	5.4
91.05469	1.2
93.07023	12.4
95.08591	28.9
97.06483	0.8
97.10150	3.2
105.07021	3.1
107.08590	19.0
109.06479	0.9
109.10145	16.9
119.08559	4.5
121.06532	1.3
121.10132	22.6
123.11676	3.7
131.08560	3.3
133.10121	3.5
134.40161	0.7
135.08057	6.6
135.11681	25.6
137.13248	5.0
143.08633	0.8
145.10075	3.2
146.72581	0.7
147.11644	4.1
149.09656	6.1
149.13277	10.8
159.11688	1.8
161.09616	1.0
161.13237	3.3
163.07541	6.2
163.14781	16.7
171.11682	1.0
173.09680	0.8
173.13278	1.4
177.16393	4.0
187.14853	1.6
189.16431	3.1
190.57835	0.9
191.17920	100.0
192.18306	0.9
205.15839	10.4
215.14229	1.7
233.15329	45.1
243.17509	1.2
249.18387	0.9
251.16396	4.4
261.18558	3.9
274.10355	0.8
303.23157	1.6
315.23120	1.3
335.11221	0.8
403.33301	1.3
439.35660	60.8
440.35995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
54.81744	0.6
55.05502	7.2
57.03422	1.4
57.07056	4.9
67.05485	8.7
68.22990	0.9
69.03402	0.9
69.07053	15.5
71.04990	1.1
75.19675	0.7
76.29458	0.8
79.05471	5.1
81.07036	22.9
83.04954	1.4
83.08611	6.4
85.06535	1.2
89.06004	4.8
91.05457	4.7
91.68150	0.8
93.07029	14.0
95.04893	1.6
95.08583	26.4
97.06473	3.3
97.10158	1.4
98.20164	0.8
105.07000	9.6
107.08587	20.2
109.06507	3.5
109.10143	13.8
111.04414	4.7
111.08090	1.1
119.08541	11.7
121.06458	2.9
121.10139	20.8
123.08055	4.8
123.11678	9.4
131.08545	3.2
133.08591	1.7
133.10110	9.7
134.20566	0.8
135.08041	5.5
135.11682	7.6
137.05952	1.0
137.09543	1.2
137.13242	5.0
139.11180	1.2
143.08566	1.8
145.10118	7.5
147.08020	1.6
147.11661	6.9
149.09610	6.4
149.13261	5.5
154.37878	0.8
157.10068	1.7
159.11664	5.5
161.09613	5.2
161.13205	4.3
163.07408	0.9
163.11133	1.8
163.14789	6.2
167.10641	3.5
171.11664	4.6
173.09584	1.2
173.13237	6.9
175.11171	3.2
175.14764	5.6
177.09091	1.0
177.12831	0.9
177.16379	3.0
183.11722	1.7
185.13225	3.3
187.14824	4.8
189.12759	1.9
189.16414	1.6
191.17894	3.3
197.13200	3.8
199.14876	0.9
201.16402	1.6
203.17921	1.2
211.14813	3.6
213.16452	1.1
215.14232	0.9
215.17929	1.4
217.15837	1.3
225.16388	1.4
227.17824	0.9
229.19501	3.3
229.91803	0.8
239.14902	1.7
241.19394	1.7
242.58192	1.0
245.19049	3.1
257.18939	1.3
271.20566	1.0
273.21991	1.6
283.20428	4.3
297.21985	1.1
299.23761	1.9
301.21655	3.1
302.25464	0.9
421.34558	10.8
439.35635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
55.05505	1.8
56.29339	0.4
57.07058	0.8
67.05499	3.0
67.05815	0.3
69.07065	5.0
71.08595	0.5
77.59254	0.4
79.05470	0.8
81.07037	11.9
83.08610	1.7
91.05447	1.0
93.07031	3.2
95.08587	11.3
97.07497	0.4
97.10147	0.7
105.07005	2.9
107.08565	6.0
109.10140	6.3
111.11705	0.5
119.08565	4.5
121.10162	3.9
123.11692	3.0
129.07004	0.9
131.08595	0.4
133.10098	3.7
135.08098	0.7
135.11700	2.1
137.13255	3.1
139.11188	0.5
142.07765	1.0
143.08560	2.2
145.10139	2.5
147.11682	2.6
149.13243	3.3
157.10092	5.7
159.11655	6.8
161.09584	0.8
161.13251	1.6
163.14832	2.5
171.11667	6.8
173.09692	0.5
173.13216	3.2
175.14813	2.1
181.10081	0.6
183.11653	2.2
185.09608	6.3
185.13206	6.9
187.11162	1.8
187.14774	2.5
189.16290	0.5
191.17892	0.5
193.15961	0.5
197.13217	2.3
198.10420	0.6
199.11186	5.7
199.14775	3.0
201.16402	0.5
209.13287	0.9
211.14799	1.6
212.15479	0.6
213.12791	5.4
213.16362	2.0
215.17967	3.9
223.14917	1.0
225.16338	1.0
227.14363	3.0
227.17935	1.9
229.19525	3.7
234.00868	0.4
239.17934	0.7
241.19453	14.0
243.21109	0.9
245.18945	0.5
251.17899	0.5
255.20956	4.1
257.19019	1.7
259.20590	0.7
265.19565	1.0
267.21027	0.8
269.22659	2.1
271.20505	2.4
283.20514	14.4
285.21829	1.8
297.22159	5.5
351.26730	2.5
379.33456	0.6
403.33676	1.0
409.28802	0.4
421.34631	3.8
439.35645	100.0
440.35736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01874	2.7
55.05511	10.8
57.03435	3.3
61.02167	1.1
61.02911	2.8
65.87602	1.2
67.05490	7.1
69.03423	21.4
69.07050	13.8
69.13461	1.2
70.03748	1.2
71.04982	6.6
73.02903	3.0
79.05474	6.0
81.03394	17.7
81.07044	21.3
83.04984	2.7
83.08598	7.9
83.40531	1.4
85.02902	29.2
85.06526	5.3
87.00813	12.4
91.05471	19.2
92.08729	2.9
93.07045	10.1
95.04964	2.6
95.08566	15.4
97.02881	20.3
97.06525	3.3
99.04434	5.4
99.08099	2.0
101.02403	2.1
105.01862	6.0
105.07014	40.8
107.04942	32.3
107.08585	15.0
109.02825	9.6
109.06473	1.8
109.10170	7.1
111.08069	1.3
115.03983	1.4
115.05492	2.3
117.01897	1.8
117.07011	3.0
119.04947	3.1
119.08568	56.4
121.10127	7.0
123.08044	2.3
124.07584	1.6
127.03883	14.1
129.06999	2.7
129.09099	9.9
131.08543	43.1
131.09439	2.2
133.10107	40.7
135.04411	8.4
135.11685	2.6
137.06004	1.7
137.09602	1.9
137.13249	1.6
139.11150	9.3
139.12093	1.3
140.11517	2.3
143.08572	7.7
145.02875	3.2
145.04962	5.0
145.10095	12.2
146.10921	2.0
147.04420	8.3
147.11671	12.5
149.09602	2.5
152.06218	1.3
155.10640	2.1
156.10992	1.5
157.10132	2.4
158.10915	7.3
159.02898	1.8
162.87347	1.5
163.03876	31.6
163.14900	1.4
164.04221	2.5
169.06480	2.5
171.06502	3.0
171.11646	1.7
173.11804	3.0
173.13210	30.2
175.14804	100.0
187.07574	2.1
187.14716	1.7
189.09006	1.6
191.07149	1.7
191.14288	8.0
205.15930	2.1
213.09138	1.5
215.07013	6.4
223.16843	1.6
231.04985	1.9
241.14334	2.6
241.17912	3.3
259.09409	2.2
277.10815	12.5
325.20502	1.7
439.11667	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	439.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34154	3.1
53.00279	2.5
54.39386	3.2
55.05495	28.5
56.90413	2.5
57.03425	16.3
57.07066	87.0
67.05489	53.2
69.07056	32.5
71.08607	41.3
73.86938	2.6
76.56508	3.2
79.05479	14.5
81.07034	78.2
83.04984	3.5
83.08611	14.7
83.45206	2.8
85.10170	13.8
89.06025	36.8
91.05467	16.0
93.07030	20.9
95.08575	80.8
95.09116	4.5
97.10150	6.8
105.07017	19.7
107.08588	31.5
109.06499	4.6
109.10148	55.7
117.07043	4.3
119.08551	29.6
121.10142	19.9
123.08052	3.6
123.11684	17.7
131.08562	7.5
133.08598	17.3
133.10147	18.5
135.08078	11.4
135.11679	18.9
137.09552	4.1
137.13237	7.6
143.08548	6.1
145.10136	16.8
147.08112	3.9
147.11684	8.0
149.13274	7.1
151.14705	3.4
157.10114	19.1
159.11685	14.0
161.13171	7.0
165.09531	3.1
171.11664	4.8
173.09631	4.2
173.11734	4.1
173.13246	3.2
175.14795	4.7
183.11674	3.8
185.13194	6.7
187.14798	4.1
189.12747	4.0
199.14709	3.5
201.16299	7.2
223.14845	3.8
239.14851	16.3
240.15219	4.3
265.49652	3.0
313.27298	100.0
313.35254	3.8
403.33664	6.9
421.34332	21.3
439.36008	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	439.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
53.03942	0.3
53.94134	0.2
55.05499	0.5
57.03429	0.4
57.07062	0.2
60.60099	0.2
65.03931	0.4
66.07409	0.2
67.05486	0.3
68.20761	0.2
69.03418	10.8
69.07053	0.3
70.01518	0.2
71.01331	0.3
71.04975	0.8
78.39347	0.2
79.05479	0.3
80.04996	1.3
81.03406	3.3
81.07039	0.3
83.04997	1.6
83.66373	0.2
85.02885	1.5
85.06519	0.4
89.17873	0.2
89.22591	0.2
91.05457	7.4
93.07027	0.5
95.04946	0.2
97.02877	17.1
97.06530	0.4
99.04440	2.2
105.01871	0.2
107.08616	0.4
109.02859	1.4
109.10167	0.3
113.06004	0.4
117.03349	0.3
119.04925	21.3
121.10133	0.3
123.04436	0.3
127.03910	1.1
131.25542	0.2
135.04420	0.4
145.02847	0.5
147.04398	100.0
148.04778	0.4
149.09630	0.3
161.06032	0.2
163.03883	2.3
165.05420	1.6
209.15417	0.4
230.82558	0.3
241.14355	0.3
259.09433	0.3
277.10782	0.3
291.08667	0.4
309.09637	6.0
407.13248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
53.44538	0.3
53.87637	0.3
55.05502	0.7
61.56974	0.3
63.82590	0.3
69.03405	3.1
79.05467	0.8
81.03393	1.4
81.07021	0.7
83.04964	0.6
85.02881	0.7
85.06518	0.7
87.61788	0.4
89.03892	7.9
91.05435	0.7
97.02875	3.1
99.04419	0.7
103.94096	0.3
107.04948	3.2
117.03360	10.8
119.04918	4.2
127.03893	0.4
135.04393	28.6
145.02834	16.7
147.04388	15.0
163.03873	100.0
164.04178	0.6
169.06390	0.4
187.23024	0.3
215.07098	0.4
232.29135	0.5
248.59712	0.4
259.09454	0.5
277.10556	0.5
309.09540	0.5
325.08981	0.5
439.15332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1417
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
51.10056	0.4
51.60625	0.4
56.53910	0.4
64.33131	0.5
76.61561	0.6
88.01515	0.5
96.92217	3.3
111.07314	0.5
144.27560	0.5
168.13141	0.6
185.04378	0.7
277.08893	43.8
329.70074	0.5
365.10229	1.1
389.86996	0.5
432.70923	0.7
439.14139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16441	0.3
51.65187	0.3
55.05502	0.4
66.00828	0.4
67.05511	0.4
69.03417	2.3
75.30917	0.3
81.03404	0.4
82.03986	0.4
83.01103	0.8
83.04947	0.5
84.01885	0.3
85.02879	1.6
91.05458	0.5
95.00552	0.4
95.01068	3.9
96.01859	0.9
97.02882	2.5
105.06970	0.5
109.02818	0.4
112.01334	0.7
113.02119	4.3
119.04915	0.6
123.04430	0.5
127.03867	0.7
131.36133	0.4
135.04410	1.4
137.02335	1.7
140.95166	0.4
145.02837	1.6
147.04376	3.6
150.74538	0.4
157.04677	0.6
163.03888	5.5
164.36742	0.3
167.03210	0.5
173.05995	0.5
185.04198	5.3
201.03766	2.1
202.04332	0.6
202.06032	5.9
203.05272	0.9
259.07755	0.8
277.10605	0.5
325.09033	0.5
439.15759	100.0
440.16196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82571	2.1
55.05500	2.3
57.07072	100.0
69.07051	10.1
71.08620	75.6
73.06575	2.3
79.60998	1.6
83.08611	2.5
83.61463	2.0
85.10170	39.8
89.06017	97.2
92.08658	5.7
92.65332	1.8
97.10204	2.3
99.11687	2.0
107.07063	3.1
113.13313	2.5
125.85201	1.8
133.08582	40.1
177.11151	8.7
239.14867	37.7
315.28809	2.6
421.35196	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01873	0.6
55.05496	0.7
57.03424	0.8
57.08806	0.3
67.05487	0.8
69.03419	15.7
71.01332	1.6
71.04965	0.6
79.05473	2.6
81.03410	7.4
83.04967	0.7
85.02884	3.7
89.03902	6.5
89.14774	0.3
91.05466	1.6
93.07012	0.5
95.04919	0.7
95.08592	0.9
97.02258	0.7
97.02873	19.8
97.03501	0.8
97.06481	0.4
99.04434	2.2
105.07025	0.5
107.04931	4.5
109.02854	4.9
109.06484	0.7
109.10104	0.5
111.04372	0.6
115.03867	0.4
117.03366	9.3
119.04942	0.6
121.06484	0.7
123.04414	1.7
125.02263	1.1
127.03910	2.4
135.04402	25.7
135.07996	0.5
137.05986	0.5
137.09555	0.5
139.03868	0.4
145.02846	17.6
147.04399	1.5
151.03899	0.4
155.10599	0.5
163.03880	100.0
173.06062	0.7
175.03862	0.6
181.04897	2.0
223.05920	0.5
241.14368	0.5
307.07742	0.5
325.09229	1.3
395.09375	1.6
421.10748	0.7
439.12125	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	438.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.1
55.05506	22.5
56.96549	4.5
57.03420	3.4
57.07058	3.5
57.50269	2.4
60.32741	2.9
61.02902	5.4
67.05495	41.1
69.03422	4.6
69.07041	18.9
71.04971	5.6
75.54671	2.7
79.05472	36.6
81.03375	3.8
81.06596	4.9
81.07043	100.0
83.08610	6.8
85.02894	16.8
85.06532	16.7
91.05460	22.6
92.63711	3.0
93.07025	89.0
95.08597	44.6
95.54680	3.0
96.08925	3.5
97.02855	5.1
97.06500	12.8
97.10159	5.3
105.06998	17.9
107.08575	51.2
109.06507	31.8
109.10143	23.4
111.08046	3.2
117.07007	6.7
119.08561	14.1
121.06461	13.3
121.10133	35.7
123.08067	5.0
127.07545	47.0
131.08534	15.7
133.10124	6.4
135.08040	17.7
135.11685	5.8
145.10110	17.2
149.09605	15.4
163.14833	41.0
175.14821	12.8
177.16328	5.0
187.14790	12.1
195.47345	3.8
205.15857	16.1
215.06927	3.3
223.16914	73.1
241.17831	23.6
259.19098	13.4
285.10025	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	438.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72991	6.4
53.03930	7.7
54.82188	8.0
55.05508	100.0
57.46544	6.8
58.66810	7.4
63.14953	6.8
63.93143	6.7
67.05489	39.7
67.86747	7.8
69.03414	10.6
69.07040	15.3
79.05473	33.0
81.07038	42.9
83.08607	54.3
83.69582	8.0
85.23048	7.2
91.05457	47.9
91.79862	8.7
93.07013	16.2
95.08584	13.1
97.10178	75.0
105.07010	42.3
107.08588	40.1
107.23391	7.9
109.10150	12.7
117.07022	14.5
119.08566	14.8
125.09618	56.5
129.07002	16.7
131.08507	25.9
141.06949	10.7
145.06511	13.8
147.08084	9.6
149.02310	12.7
155.47789	9.1
175.43694	10.0
189.11147	38.0
193.04956	10.3
215.14282	47.9
246.87306	8.6
269.26297	9.0
337.69955	9.7
344.50998	9.7
349.21420	13.3
349.58228	9.4
367.22607	43.8
385.23508	44.8
403.24518	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17312	0.4
56.05024	12.0
61.71286	0.4
61.91805	0.3
66.13985	0.5
67.30715	0.4
70.06554	0.7
72.08141	1.0
73.17522	0.4
84.04491	100.0
85.02911	2.9
85.63937	0.5
97.02877	0.6
98.06008	0.6
99.04447	0.5
102.05510	5.2
112.07609	0.8
116.07074	50.8
120.11285	0.4
130.04985	33.4
130.05968	1.1
136.71553	0.4
139.02008	0.4
144.06526	1.0
145.04941	9.1
148.06010	7.6
158.08186	0.6
162.07587	52.8
166.40645	0.5
172.78354	0.4
324.72507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08493	0.3
56.04765	0.5
56.05029	12.6
56.86273	0.4
56.96568	0.5
60.97647	0.3
61.02904	0.5
63.61600	0.3
69.03416	2.0
73.02892	0.5
81.03432	0.4
84.04492	100.0
85.02907	4.0
95.01298	0.5
97.02865	3.1
98.97588	1.3
99.04431	1.4
102.05537	2.1
115.03922	0.9
116.07075	60.7
116.98638	0.5
127.03893	0.5
130.04982	34.5
144.06575	0.6
145.04941	9.1
161.04631	0.4
162.07591	59.9
167.02876	1.9
167.53023	0.6
170.05138	0.5
170.99684	0.7
176.03372	1.4
189.00786	0.6
215.03981	0.5
219.01720	0.6
237.02803	0.6
268.52518	0.4
296.57114	0.5
315.03622	0.4
401.61307	0.4
416.51050	0.4
453.95581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
54.61576	1.0
55.05499	4.7
57.07080	1.0
67.05482	6.3
69.03431	1.2
69.07056	10.3
71.14375	0.9
77.55960	1.0
79.05487	2.2
81.07038	14.8
83.08600	5.4
91.05453	2.5
92.63821	1.2
93.07040	11.4
95.04953	1.5
95.08588	29.2
96.39263	1.1
97.06529	2.1
97.10158	1.8
105.07007	11.6
107.08572	15.7
109.10135	19.7
114.96934	1.1
119.08581	11.0
121.06554	1.3
121.10146	13.6
123.11704	4.4
133.06447	1.5
133.10115	11.3
135.11693	17.4
137.13239	6.0
143.08607	5.0
145.10103	2.7
147.08064	6.4
147.11659	2.0
149.13271	7.5
157.10143	4.9
161.09586	29.6
161.13304	2.1
170.10835	2.3
173.13297	1.9
175.14806	2.6
183.11665	1.7
185.13263	5.2
187.14717	1.4
191.17940	53.2
201.12654	1.3
203.14348	6.8
205.15857	2.2
217.15894	2.6
231.13756	41.8
249.14873	6.8
259.16815	7.8
273.77991	1.3
301.21707	2.3
313.21732	1.6
350.83661	1.1
437.34103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49803	2.3
55.01846	2.1
55.05501	2.9
62.06054	2.2
63.75058	1.8
69.03411	14.0
71.04963	2.5
72.93767	11.3
74.61741	1.9
75.79079	2.0
76.36787	2.4
81.03383	9.2
81.07034	2.7
83.04944	3.2
85.02899	10.3
89.03903	2.8
90.94807	14.6
97.02881	13.0
99.04473	4.3
109.02886	2.4
117.03375	5.7
128.96294	3.1
132.95807	17.2
135.04405	25.6
144.95874	4.7
145.02846	17.6
146.97412	3.2
147.04445	2.7
150.96838	4.6
158.97350	20.0
162.96814	4.8
163.03877	100.0
166.90082	2.6
176.73238	2.7
176.98447	11.6
188.98407	3.7
198.96906	5.1
216.97943	3.1
223.13310	5.0
234.96820	33.4
234.99037	18.7
238.96115	2.2
241.14343	2.9
248.94759	3.5
252.97917	75.3
260.73798	2.5
276.97986	3.6
302.99457	11.1
312.97894	10.7
330.98932	5.6
349.00107	3.4
355.94675	2.5
379.01013	10.3
397.02249	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.00275	1.6
55.05507	15.5
57.07065	3.3
67.05494	8.0
69.07056	22.4
81.07049	14.0
83.04969	16.1
83.08607	9.7
86.79858	1.5
91.05460	2.1
91.24551	2.0
92.09299	3.6
93.07032	8.3
94.91806	1.9
95.08579	19.0
95.58745	1.6
96.41915	1.9
105.07032	8.4
107.08605	11.9
109.10138	8.0
119.08566	15.0
121.06500	2.3
121.10130	9.2
123.08096	2.4
123.11674	8.2
131.08554	2.3
133.10109	4.1
135.08066	1.8
135.11702	6.5
137.13257	4.1
143.08530	6.8
145.10086	7.0
147.08028	2.4
147.11708	3.9
149.09650	2.2
157.10149	7.1
159.08035	6.1
159.11697	8.6
161.09540	7.1
161.13287	3.3
163.14807	3.4
169.10106	4.1
171.11668	3.5
173.09607	3.8
173.13284	8.1
183.11713	9.7
185.09560	2.1
185.13303	3.2
187.07509	1.9
187.11177	3.6
187.14822	3.3
189.09073	6.2
189.16405	2.6
197.13271	8.2
199.14746	2.3
201.09093	2.4
201.12823	2.5
215.14258	13.6
223.14680	2.6
229.15916	2.9
243.13850	8.0
257.18903	3.3
285.18423	1.9
299.19757	2.5
323.23688	6.7
327.23398	2.4
335.23608	4.2
353.28445	8.9
381.27875	3.7
391.33771	2.6
419.33035	8.8
437.34091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05507	37.6
56.96561	4.2
57.03432	1.6
57.07070	11.6
61.02908	4.3
67.05494	52.8
67.05853	2.1
68.55875	0.9
69.03410	2.4
69.07058	54.9
70.27052	1.0
71.04975	7.3
71.08608	1.8
79.05481	4.7
81.03403	1.9
81.07040	79.3
82.85294	1.1
83.08610	49.5
85.02909	11.8
85.06535	4.3
91.05466	4.4
92.09204	2.2
93.07030	2.1
94.07361	1.3
95.08588	100.0
97.02892	5.6
97.06490	2.0
97.10149	31.1
98.97550	1.4
102.87096	1.1
109.02902	1.2
109.10146	44.8
111.11738	8.9
119.08553	1.8
123.11681	17.4
125.13258	2.2
126.31134	1.0
127.03955	1.4
129.06981	1.2
135.44809	1.1
137.13246	6.4
139.14827	1.4
147.11658	1.3
151.14819	5.3
163.03889	1.6
165.16344	1.4
221.22539	1.1
239.23637	8.5
257.24707	53.4
267.08969	10.3
275.25809	2.3
285.10104	12.0
324.11383	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	437.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18781	0.6
53.00285	1.6
53.03919	1.7
54.88179	0.7
55.01850	1.7
55.05490	4.6
55.68031	0.8
57.03419	1.6
57.10974	0.6
59.04976	4.0
64.21207	0.6
67.05473	1.7
69.03417	7.7
69.07052	6.4
70.32016	0.7
71.04974	31.4
73.06534	9.1
76.38721	0.7
79.05467	10.9
81.03393	11.4
81.07037	43.1
83.04942	0.7
83.08611	0.7
85.02885	14.0
85.06524	1.0
87.00800	6.5
89.03871	1.7
91.05446	3.4
92.08667	0.8
93.07017	26.0
95.08567	5.7
97.02862	7.0
97.06492	4.6
99.04406	4.6
105.01883	6.4
105.06989	4.2
107.04917	1.0
107.08562	21.8
109.02873	1.7
109.06477	0.9
109.10127	4.8
112.80900	0.7
117.03335	3.7
119.08569	1.7
123.04376	1.4
127.03880	5.9
131.08563	1.2
133.06523	0.7
134.56584	0.8
135.04366	8.8
135.11661	33.1
141.06996	1.0
145.02835	5.9
145.10124	0.7
153.12712	100.0
161.05917	2.9
163.03857	38.2
169.06377	1.2
187.07578	0.9
196.60649	0.8
215.06905	1.6
252.97911	1.2
259.09720	1.7
307.07993	3.2
437.10287	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	436.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01512	1.0
53.03925	1.2
55.01857	2.3
55.05509	12.4
57.03419	3.1
57.07043	1.7
66.86780	1.3
67.05146	2.0
67.05489	35.1
69.03403	9.0
69.07056	15.4
71.04962	3.3
72.08153	1.6
74.77722	1.3
79.05473	22.6
81.03408	6.9
81.07038	60.8
83.04953	6.8
83.08574	6.2
85.01118	2.5
85.02892	19.5
85.06532	8.2
87.00819	2.5
91.05455	22.3
92.05825	1.6
93.07024	43.0
95.04939	9.3
95.08585	43.6
97.02889	5.7
97.06519	13.5
97.10100	1.6
105.01834	3.2
105.07014	35.8
107.04913	2.4
107.08578	33.9
109.02876	1.5
109.06511	17.7
109.10139	37.0
111.08036	1.9
111.18665	1.5
113.09649	2.4
117.06984	3.4
119.04919	12.8
119.08559	38.9
119.41418	1.4
120.05238	9.5
121.06479	8.0
121.10107	8.1
123.04344	2.3
123.08043	7.5
123.11681	2.3
125.09579	1.6
127.03912	7.2
127.07529	14.2
127.08562	3.0
129.06952	5.9
131.08551	11.7
133.06493	1.9
133.10092	20.1
135.08040	7.2
135.11691	21.2
137.05965	15.1
137.09576	2.1
139.07469	3.2
141.06551	2.0
143.08530	6.7
145.04941	1.8
145.10118	2.8
147.04378	39.8
147.08035	8.1
147.11630	11.4
148.04744	26.5
148.24812	1.7
149.05196	1.5
149.09592	3.2
149.13214	11.3
151.07550	2.6
153.00565	3.4
153.01814	100.0
153.09073	2.2
153.12682	11.5
154.02147	54.5
155.07001	11.3
157.10081	2.2
157.13330	3.5
159.11641	11.1
161.09621	3.0
161.13219	49.9
163.03795	6.4
165.09077	5.9
171.02910	3.3
171.13768	5.9
172.03137	2.1
173.13251	7.1
175.11168	1.8
175.14799	14.7
179.10570	2.2
185.13251	13.1
191.14247	8.3
193.15923	1.8
197.58852	1.6
203.14253	20.4
209.15384	9.5
221.15332	35.4
239.14030	2.9
239.16377	65.7
257.17432	32.5
259.09711	2.6
272.06290	3.2
273.07492	36.2
274.07877	96.2
275.07962	1.8
279.58014	1.6
317.89355	1.5
359.23050	2.4
386.53577	1.4
389.26630	1.6
410.54694	1.4
436.19141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01861	5.5
55.05496	2.5
57.03423	2.2
63.01692	1.0
67.05496	9.0
69.03403	12.0
69.07042	6.4
69.78800	1.0
71.01350	1.6
71.04958	2.2
79.05463	8.3
81.03395	8.3
81.07040	4.7
85.02896	10.5
89.03877	1.6
91.05466	9.2
93.07025	2.4
95.04945	14.2
95.08579	1.9
97.02843	9.8
97.06516	24.9
99.04477	1.8
105.07028	1.4
107.04912	4.2
107.08585	8.2
109.02876	2.3
109.10117	4.4
115.04031	1.2
115.05429	6.7
117.03362	5.6
117.07002	2.5
119.08540	2.5
123.04391	5.9
125.05949	1.3
127.03883	2.0
127.88404	1.3
128.06204	6.3
129.06982	6.7
130.06601	1.3
131.04915	1.7
131.08502	10.4
133.06482	5.1
133.10104	2.8
135.04405	11.1
135.84685	1.4
137.05913	1.4
141.06956	25.9
142.07796	1.3
143.04881	2.1
143.08563	5.6
144.05750	1.6
145.02800	5.0
145.06438	1.4
147.04404	4.6
149.05949	2.2
152.06190	2.3
153.06972	1.6
153.12790	2.6
157.06451	3.0
157.10121	2.0
159.08020	3.0
160.05150	31.4
161.02264	2.0
161.05943	81.0
161.09492	2.3
163.03877	69.3
164.45074	1.2
165.05476	2.4
165.06958	1.6
167.08502	10.9
167.98940	1.2
169.06451	12.6
171.04326	1.8
171.08069	2.3
171.13737	1.9
173.04622	1.3
173.05855	8.5
174.06735	1.5
175.03857	2.8
175.07535	8.3
175.98222	1.2
177.05399	1.8
184.05185	7.4
185.05910	2.3
185.09567	7.0
187.07512	8.3
189.05435	5.0
189.09064	72.5
195.08055	8.4
198.06731	2.6
203.10619	5.8
205.08437	1.7
207.02849	1.9
212.04758	1.6
213.09048	14.7
215.06973	100.0
217.08574	13.2
226.06265	2.4
231.10132	7.3
233.08139	2.0
241.08551	12.6
257.13489	1.6
259.09607	40.6
275.12766	2.9
277.10794	1.7
288.76935	1.4
382.29507	1.3
437.14114	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01868	6.5
55.05500	5.7
57.03428	6.2
57.61984	0.6
61.02910	6.5
62.55462	0.7
62.82656	0.7
65.03914	0.8
66.31321	0.7
67.05489	5.5
68.99775	1.7
69.03415	27.9
69.07047	4.0
71.04987	4.5
73.02909	6.5
79.05472	15.7
81.03405	20.3
81.07029	11.6
83.04945	2.7
85.02893	61.8
87.00812	38.3
87.01350	1.0
91.03945	1.1
91.05456	22.6
92.64178	0.8
93.07024	79.4
95.04941	6.6
95.08583	24.8
97.02870	32.0
97.06528	1.7
99.04436	8.7
102.06172	0.9
105.01849	33.6
105.04511	0.9
105.07018	8.5
107.04965	1.1
107.08578	100.0
109.02860	16.0
109.06503	5.5
109.10126	3.3
115.03925	0.8
115.79433	0.7
117.01826	1.4
117.06980	1.0
119.06027	1.7
119.08566	5.4
123.04382	0.7
127.03892	37.7
127.04812	1.6
129.01813	1.8
131.08595	0.8
133.10150	1.0
135.11671	31.8
145.04961	17.0
147.02826	1.1
147.07999	1.4
147.11758	0.9
153.12727	4.7
159.02838	7.6
161.13234	1.7
163.03874	0.8
165.09227	0.9
185.13182	1.1
203.14223	0.9
221.15378	0.9
227.11719	3.1
231.04953	7.2
239.12769	1.6
249.05991	5.0
261.14832	0.9
315.13205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89198	0.2
53.03922	0.4
54.80434	0.2
55.01849	1.4
55.05499	0.5
55.98433	0.2
56.96534	0.3
57.03434	5.6
60.24362	0.2
61.02904	1.0
65.55524	0.2
67.05476	0.3
69.03420	2.9
69.07059	0.4
71.04964	0.5
75.04444	1.7
78.64046	0.3
79.05472	2.2
81.03384	1.3
83.04951	1.5
85.02896	6.9
91.05436	1.4
93.07018	0.5
94.04146	0.3
95.04946	0.5
97.02853	2.4
99.04438	0.5
100.51778	0.2
103.05452	1.4
103.38142	0.2
105.07015	28.3
107.04943	2.2
107.08611	0.3
109.02851	1.4
109.06497	1.2
115.05389	0.3
117.07017	0.3
119.08572	0.5
121.06483	0.3
122.03642	1.1
124.05201	0.6
127.03909	1.5
131.08574	0.3
133.06473	51.2
135.04424	0.5
135.08005	1.8
137.02441	1.9
137.05960	100.0
146.07178	0.3
147.07942	0.3
147.11613	0.3
149.09644	0.3
151.07516	1.5
154.42813	0.2
161.09686	0.5
163.03857	0.3
163.07533	4.9
165.09088	25.0
172.56007	0.3
175.07516	3.3
175.11163	0.5
177.09099	1.5
181.08533	1.8
182.09402	0.5
183.10138	10.5
193.08659	0.5
195.13805	0.3
203.10735	1.9
203.12331	0.2
206.88913	0.3
209.11798	1.1
221.11742	2.9
239.12697	3.5
257.13782	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	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.03932	1.0
55.01863	1.3
55.05502	4.9
56.40773	0.7
57.07037	0.7
59.04986	3.2
67.05484	3.9
69.03431	5.7
69.07064	5.4
71.04975	28.2
71.05375	1.0
73.06540	8.4
79.05483	8.3
81.03413	4.5
81.07037	37.0
81.07464	1.3
83.04961	1.4
83.08594	1.2
85.02884	8.7
85.06509	1.1
87.00805	6.6
89.78157	0.6
91.05460	2.8
93.07018	23.9
95.04917	1.0
95.08575	6.7
97.02852	5.3
97.05962	0.6
97.06482	5.1
99.04447	1.1
99.21420	0.7
101.65943	0.8
105.01837	4.3
105.07008	3.8
107.08572	21.7
109.02859	1.7
109.06551	0.7
109.10144	7.4
111.08045	1.4
119.08575	4.4
121.10155	0.9
127.03902	3.7
133.10034	2.6
135.11668	32.4
135.12677	1.5
145.04953	1.4
153.12720	100.0
160.07593	0.7
161.13211	1.0
163.03854	2.9
167.65309	0.7
215.06857	0.9
239.16457	2.8
259.09503	1.2
300.04004	0.9
320.96686	0.8
436.21008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.1
51.16930	1.5
51.39730	1.1
53.00318	1.3
53.03932	6.8
55.01860	12.7
55.05497	8.2
57.03431	11.3
57.07045	1.5
61.02906	8.9
67.05496	12.3
68.99755	1.6
69.03066	2.7
69.03416	43.9
69.07066	11.0
71.04969	8.8
72.03285	1.3
73.02899	8.1
75.71441	1.7
79.05464	19.1
81.03397	30.0
81.07037	93.0
82.37176	1.4
83.05000	1.5
83.08585	2.8
85.02893	100.0
85.06521	7.2
86.16774	1.5
87.00814	57.0
87.04429	1.6
87.34021	1.4
88.06477	1.3
91.04968	1.6
91.05469	25.0
93.07024	85.9
95.04946	8.5
95.08592	41.8
97.02873	45.6
97.06509	2.2
97.78901	1.5
99.04452	16.0
100.59138	1.5
105.01849	50.0
105.07011	10.1
105.67904	1.4
107.08577	91.2
109.02862	29.4
109.06496	10.1
109.10142	8.2
115.03904	14.2
117.01867	1.7
117.05386	1.6
119.06064	1.5
119.08551	3.5
123.08000	1.8
127.03895	53.7
128.66074	1.4
133.04889	2.0
135.11671	42.8
137.13243	25.8
145.04936	28.8
147.02812	1.8
147.07996	2.7
147.11635	1.9
150.51260	1.5
153.12735	3.3
159.02849	14.2
161.04391	2.7
163.03793	2.2
189.03934	1.9
229.92723	1.5
231.04997	13.3
239.12791	2.9
249.05986	9.5
305.43484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	3.6
67.57770	0.6
76.38155	0.7
79.93415	0.6
94.68988	0.7
98.97571	1.0
107.04937	3.0
119.04924	1.5
120.19885	0.8
122.09300	0.7
123.04417	2.7
135.04398	3.8
147.04388	6.4
153.06744	1.1
160.05225	1.4
161.05971	3.7
169.06496	1.1
170.07307	1.2
173.05965	12.0
181.06493	3.4
187.03810	1.0
191.03346	1.3
197.05994	5.4
198.06731	17.5
199.07481	4.1
201.05542	1.0
209.05997	2.6
213.04254	1.1
215.06979	2.8
225.05437	1.5
226.06197	9.3
227.07057	9.9
229.04799	0.8
239.02245	4.7
239.09113	0.9
243.06508	7.0
244.07266	100.0
245.07866	4.7
257.03329	5.5
286.88574	0.8
291.01715	0.7
327.03833	0.9
335.00760	0.8
353.01630	1.0
401.08627	1.5
419.09583	1.7
431.88831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.84226	0.7
53.00309	1.4
53.03946	0.9
55.01869	1.0
55.05508	40.1
57.03431	26.6
57.07079	8.3
62.81534	1.0
65.03943	1.2
67.05497	87.2
69.03445	1.0
69.06713	1.9
69.07059	39.4
71.08615	1.8
79.05472	22.4
81.07043	81.9
82.82600	0.9
83.08611	19.4
85.06553	2.5
85.10136	1.0
91.05455	17.1
91.26583	1.0
93.07026	25.1
95.04951	5.0
95.08591	80.7
97.06529	4.4
97.10133	11.3
98.98453	87.6
105.07017	11.3
107.08598	13.8
109.06516	3.9
109.10145	26.0
111.08098	2.0
111.11740	1.2
116.99450	2.5
119.08578	11.9
121.10145	11.4
123.08080	1.4
123.11701	8.5
131.08577	2.3
133.10135	6.9
135.11697	5.7
137.09615	1.8
137.13222	2.0
147.04414	2.1
147.11671	6.4
148.04691	1.6
149.13248	3.8
151.14803	1.4
155.01021	22.9
161.13199	3.9
163.14795	1.8
173.02115	6.7
175.14813	4.0
176.03633	1.0
245.22623	9.5
263.23666	22.0
337.27307	100.0
338.27805	1.3
361.18124	1.0
384.78952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41199	1.5
54.77010	1.7
55.05266	2.4
55.05505	38.6
55.63019	1.9
57.03424	19.5
57.07066	4.9
67.05492	79.6
67.43204	1.6
69.07053	38.3
71.04993	2.1
71.08624	2.1
71.82968	2.0
79.05474	25.6
81.07040	83.0
83.08603	20.0
84.37569	1.8
85.06512	2.1
91.05460	20.0
93.07014	31.5
95.08581	73.1
97.06503	3.9
97.10150	8.1
98.98444	91.3
99.12721	2.0
105.07027	12.1
107.08580	12.2
109.06513	4.3
109.10149	23.7
109.51740	1.9
119.08575	9.7
121.10132	12.0
123.11696	10.1
133.10141	10.1
135.11656	4.0
137.13249	2.7
146.26483	2.0
147.04410	8.5
147.11667	11.1
155.01012	20.6
161.13289	3.5
169.09990	2.1
173.02115	4.1
189.06396	2.3
245.22614	8.5
246.25516	2.0
263.23642	15.7
278.46619	1.8
337.27328	100.0
338.27786	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03941	0.5
55.01846	0.5
55.05498	0.7
56.13959	0.2
57.03419	1.6
57.07042	0.2
59.04998	0.3
61.02906	1.9
67.01856	4.1
67.05487	0.4
68.99775	1.4
69.03415	5.9
69.07040	0.3
71.04971	1.1
72.66615	0.2
79.05490	0.6
81.03406	2.0
81.07040	1.5
85.02892	18.5
91.05473	3.3
93.07024	0.5
95.04945	1.7
97.02874	4.1
97.06486	0.5
97.93236	0.3
99.04433	1.2
105.07027	1.2
107.04951	2.1
107.08576	1.1
108.60674	0.3
109.02862	1.4
109.06506	0.5
109.10153	0.6
111.00827	0.3
114.35873	0.3
117.07056	0.3
119.04924	10.5
121.02866	0.4
121.06452	1.4
123.04401	3.1
125.02341	0.4
127.03865	3.2
129.01805	0.5
133.10152	1.0
145.04953	1.5
145.10127	0.3
147.04393	37.4
151.03873	0.5
151.11156	1.3
151.35217	0.4
153.01814	100.0
159.11728	0.4
163.03905	0.5
163.48317	0.3
165.01819	0.5
171.02864	22.1
179.03362	1.7
189.05452	1.4
189.16202	0.3
191.03342	0.6
195.02869	1.5
219.02972	0.4
231.06557	1.0
255.06334	0.4
273.07526	75.9
274.07861	1.2
285.06787	0.4
404.05231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04670	0.3
53.03939	0.4
55.01873	0.5
55.05495	2.1
55.74870	0.3
56.05815	0.5
57.03420	1.9
61.02911	1.0
67.01859	3.6
67.05480	1.0
68.99760	1.7
69.03419	7.5
69.07063	0.7
71.04960	0.8
79.05473	0.6
81.03420	3.0
81.07029	1.8
83.08630	0.6
85.02890	16.9
91.05459	4.5
93.07014	2.4
95.04936	2.1
95.08611	0.7
95.97552	0.4
97.02885	4.5
97.06482	0.9
99.04395	0.6
100.11203	0.7
105.07011	2.4
107.04942	2.8
107.08571	1.0
108.31773	0.4
109.02831	2.6
109.06527	0.5
109.10126	1.9
111.04453	0.5
116.33739	0.4
119.04932	10.5
119.08540	0.8
119.95181	0.4
121.02859	0.6
121.06462	2.1
121.10088	0.7
123.04389	3.1
123.11690	0.8
127.03862	3.3
133.10106	2.0
145.04974	0.7
145.10127	0.7
147.04391	36.1
151.03903	0.5
151.11150	2.3
153.01807	100.0
165.01761	0.5
167.16930	0.4
169.12154	0.7
171.01390	0.8
171.02850	23.1
179.03354	2.4
180.11028	0.4
182.15465	0.8
189.05457	0.7
195.02899	2.5
207.06413	0.5
210.14790	0.5
214.82697	0.4
219.02866	0.7
231.06552	0.8
235.16811	0.5
236.17235	0.9
237.17764	0.7
273.07523	75.1
274.07846	0.5
315.08102	0.4
449.97635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03321	0.6
52.93328	0.6
54.81427	0.9
55.01851	1.9
57.03434	9.3
61.02916	0.9
65.29025	0.7
68.99769	1.8
69.03394	1.4
71.01362	1.0
71.04977	1.1
73.02905	1.2
73.92971	0.8
79.05490	1.3
81.03399	4.8
83.04962	0.8
84.11169	0.7
85.02887	27.3
91.05433	1.2
93.03376	0.8
95.04929	5.0
97.02853	5.2
103.03942	1.3
105.07019	10.7
106.07343	3.6
107.04949	3.2
107.08552	0.8
109.02843	5.2
119.04926	6.2
119.08575	0.9
121.02835	20.2
121.06502	1.3
123.04409	6.1
125.02326	3.2
127.03901	1.3
131.21625	1.0
133.10097	1.6
134.58504	0.8
135.04369	1.8
137.02310	1.4
141.01782	3.7
147.04391	17.4
147.08041	0.7
149.02312	3.7
151.03862	1.6
153.01840	6.7
163.03865	11.8
165.01796	38.1
171.02869	4.9
175.03920	1.3
177.01791	17.7
177.09056	4.1
178.99796	0.9
179.03358	1.7
183.02847	33.5
187.03870	1.7
189.01776	7.9
191.03371	24.4
193.01370	1.0
195.02858	100.0
196.03366	0.9
203.03381	5.3
205.04985	5.2
207.02837	3.8
209.00864	1.6
209.04384	3.8
215.03337	3.3
217.01361	1.0
219.02827	35.4
231.02847	32.2
233.04424	3.3
237.03877	2.8
243.02824	6.4
249.03879	14.1
261.03888	24.3
261.06458	1.6
273.07581	4.3
279.04901	5.0
284.61234	0.8
285.07501	25.3
297.07617	12.0
309.07587	0.9
311.05585	0.8
315.08539	12.7
339.08572	19.9
351.08484	14.3
363.08633	4.1
369.09570	1.5
381.09680	8.0
399.10806	8.9
417.11722	1.4
435.12659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.2
55.05508	50.4
57.03425	13.5
67.05497	100.0
67.79543	4.5
68.52324	4.8
69.03404	6.4
69.07059	9.1
79.05458	12.9
81.07039	27.9
83.08596	37.0
93.07039	11.5
97.10131	58.2
107.08543	21.9
109.10142	79.7
111.65271	6.2
112.51160	6.7
119.08609	6.9
125.09601	67.5
173.11758	10.5
183.03149	5.1
189.11186	33.6
227.12715	67.3
229.14383	53.4
237.29182	5.8
245.13722	51.1
399.23538	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94904	5.1
57.07072	8.7
67.05492	23.8
69.07052	29.2
78.78739	7.3
79.05421	7.2
81.07037	66.0
83.08607	8.2
93.07024	45.4
95.08595	100.0
97.10162	7.0
105.07008	29.8
107.08590	66.0
109.10138	40.8
113.99108	6.8
119.08550	42.1
121.10108	45.5
123.11671	28.8
131.08488	7.7
133.10107	56.8
135.11668	28.8
137.13228	27.7
144.75040	7.5
145.10159	7.4
147.11662	30.0
149.13312	11.0
161.13284	13.6
193.12210	31.1
205.19511	10.3
290.31274	6.4
290.45148	7.2
309.19086	7.4
352.53690	9.1
399.32501	30.6
417.33618	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	435.1285
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.16942	0.8
55.01853	3.0
57.03427	12.9
61.02901	0.8
65.03930	0.8
67.62608	0.7
68.99785	1.6
69.03412	8.4
71.04988	1.0
73.02905	3.6
77.62610	0.8
78.15622	0.8
79.05488	1.7
81.03413	4.2
81.07050	1.5
85.02892	35.1
87.04450	2.0
91.05479	4.1
92.08751	1.4
93.07049	0.9
95.04941	5.5
97.02872	9.8
98.03170	1.0
103.03909	2.0
103.05410	1.0
105.07011	21.8
105.94861	0.9
106.07378	4.0
107.04961	3.9
109.02858	6.9
111.00831	1.3
115.03917	1.7
119.04948	6.9
121.02843	25.0
121.06486	1.3
123.04416	6.8
125.02351	4.4
127.03893	3.2
131.94678	0.9
133.04979	1.4
135.04381	3.5
135.23126	0.9
137.02304	1.4
141.01811	3.4
145.04916	1.6
147.04388	18.2
149.02307	3.4
151.03915	1.4
153.01796	8.2
163.03902	13.6
165.01802	47.5
167.03352	1.2
169.12245	0.9
171.02879	5.3
175.03864	1.4
177.01793	16.7
177.05389	1.0
179.03400	1.4
183.02855	33.9
187.03864	1.9
189.01778	6.5
191.03375	26.8
193.01418	1.2
195.02863	100.0
203.03348	4.8
205.04959	5.1
207.02896	2.2
209.00929	1.3
209.04419	1.7
215.03349	5.1
217.01270	1.3
219.02859	39.4
231.02846	33.3
233.04466	1.9
237.04123	1.1
238.11560	1.2
243.02863	6.0
249.03908	16.2
261.03943	20.3
273.07642	1.9
279.04984	5.8
285.07535	27.0
297.07623	12.3
314.37955	1.0
315.08557	13.5
338.46622	0.9
339.08533	22.8
351.08563	13.5
363.08463	6.3
369.09647	1.5
381.09680	7.8
399.10516	10.3
417.11374	1.5
435.21603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01878	2.1
57.03434	3.9
59.04974	0.4
61.02921	3.3
65.68444	0.2
69.03068	0.4
69.03418	7.9
71.01332	0.6
73.02902	20.4
79.05475	3.1
81.03408	1.8
85.02895	17.8
87.04449	0.7
91.03938	0.5
91.05464	1.2
92.08984	1.0
93.07025	0.3
95.04955	1.4
97.02880	10.7
99.04443	1.2
103.03942	1.2
103.05450	1.9
105.07020	100.0
106.07360	0.3
107.08588	0.4
109.02880	1.9
109.06514	0.4
111.04445	0.3
115.03928	5.4
117.07014	1.2
119.08556	1.3
120.60999	0.3
127.03905	5.2
129.05464	0.3
129.06966	1.2
131.08475	0.5
133.04955	4.3
133.06445	0.4
137.02406	0.5
137.78108	0.3
141.06995	1.4
143.08582	1.2
145.04948	5.3
145.06383	2.0
145.10139	0.4
147.04391	0.7
147.08083	1.3
149.09683	0.3
150.07664	0.4
151.07524	0.4
159.08018	0.6
159.81046	0.3
163.03870	0.5
163.06004	2.6
163.07158	0.3
164.03810	0.3
171.08044	0.4
183.08022	0.6
219.10106	1.3
223.06076	0.7
229.08572	2.2
237.11188	0.3
241.07074	1.2
259.08148	2.2
273.11090	2.9
277.09125	0.4
295.10236	2.5
358.12460	0.4
435.16287	0.4
443.01218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01848	1.0
55.05505	1.0
57.03432	3.8
57.07048	0.9
59.40689	0.4
61.02908	0.6
62.25628	0.3
67.05482	2.7
69.03416	5.3
71.04973	1.0
73.02911	0.6
75.59834	0.4
78.11504	0.4
81.03410	4.6
83.04965	10.8
84.36567	0.4
85.02418	0.6
85.02895	9.7
85.06523	3.7
87.00812	2.9
89.04793	0.4
91.03907	0.5
91.05450	2.8
91.94701	0.4
93.06994	0.5
97.02877	4.6
99.04430	1.6
101.05962	1.5
103.05445	6.2
103.07554	0.8
104.20145	0.4
105.01839	1.9
105.07043	0.6
107.04922	0.5
109.02861	3.9
110.03667	0.6
111.04417	1.0
119.04948	3.3
121.06477	0.8
123.04404	3.4
127.03894	6.4
129.01744	0.4
129.93359	0.4
131.04904	21.7
137.02321	100.0
137.03354	5.7
137.05904	4.5
138.02644	1.7
138.06738	3.7
145.04961	1.6
147.04370	0.7
148.05171	3.0
149.02319	0.7
151.03964	0.9
151.07501	5.1
155.03363	0.8
159.02902	0.5
161.05975	0.6
163.03941	0.5
163.07500	8.3
165.09048	0.9
166.06253	4.1
175.07542	0.6
181.08507	3.5
193.08618	0.4
197.92879	0.4
237.11198	2.5
255.12181	7.8
260.47031	0.5
260.69699	0.4
284.20020	0.4
299.07687	1.0
381.11685	1.2
399.12534	4.2
406.14206	0.4
408.82175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90508	0.7
53.03944	13.9
55.01867	12.5
55.05511	0.9
57.03438	8.4
59.04993	1.2
61.02914	10.5
64.33717	0.7
67.05495	4.6
68.99784	4.8
69.03422	43.4
69.07059	67.0
71.04987	8.8
73.02913	11.5
78.34932	0.8
79.05476	1.5
81.03404	45.5
81.07056	14.5
83.04979	1.3
85.02895	100.0
87.00819	55.0
87.01363	1.6
87.04462	3.3
91.03936	4.1
93.07054	1.2
95.04937	1.3
95.08620	1.3
97.02880	72.3
97.06563	1.3
99.04433	20.6
105.01859	38.3
107.08613	1.4
108.04480	3.4
109.02869	42.2
109.06519	1.3
109.10138	3.6
115.03886	1.1
117.01838	6.0
123.11683	25.0
126.05486	1.5
127.03899	58.7
129.01791	5.8
140.43750	0.9
145.04958	21.0
145.94458	0.9
147.02895	3.9
151.11172	25.4
159.02873	20.0
174.57117	0.9
177.03883	1.1
196.23703	1.0
213.03967	3.2
231.04997	10.1
279.29224	1.0
351.16135	0.8
399.16498	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	434.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81595	0.7
55.01859	1.2
55.05504	9.3
56.05046	1.0
56.58513	0.7
57.03420	6.9
57.07066	1.4
58.99574	11.0
61.01134	4.8
61.26218	0.7
62.99052	3.0
65.03923	0.7
67.05491	20.9
69.07054	4.4
70.04807	0.8
71.04981	1.3
71.08620	13.4
76.02209	86.6
76.03975	1.5
77.00620	1.8
79.05468	5.8
81.03352	0.7
81.07041	5.3
81.72205	0.7
83.06113	5.3
83.08602	3.7
84.04488	24.7
85.02877	0.8
86.99039	1.4
87.02673	1.2
88.02205	1.8
89.00594	16.8
89.01106	0.8
91.05495	1.6
93.07038	1.2
95.01242	0.7
95.08594	1.6
97.06567	0.9
97.10148	8.3
99.02632	1.2
99.05544	1.2
99.08070	12.2
103.02154	1.0
105.06987	1.2
107.08575	6.3
109.10134	16.9
116.01669	16.9
117.07053	0.8
125.88090	0.8
126.12788	3.9
127.11166	25.4
129.06604	7.2
130.04988	5.1
133.10168	0.7
141.04884	0.8
142.03204	4.4
144.01118	8.6
145.10071	0.8
159.08362	100.0
162.02173	21.1
167.08920	1.1
170.02699	1.8
179.04814	20.9
184.11578	3.2
187.05333	1.8
202.12569	13.0
215.04677	1.0
233.05858	3.8
235.16742	0.9
287.14163	48.4
288.12708	1.3
305.15262	11.9
308.09116	2.9
359.16278	12.9
434.19696	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	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21039	0.2
51.66338	0.2
53.03931	1.3
54.52032	0.2
55.01852	1.8
55.05497	1.7
56.84035	0.3
57.03436	2.3
57.03804	0.3
57.07058	0.5
61.02919	0.7
63.02342	0.3
65.03913	0.5
65.58598	0.3
67.05492	2.4
68.99789	0.3
69.03424	4.9
71.01353	0.3
71.04974	1.7
73.02900	1.2
75.17456	0.3
81.03406	5.6
83.04971	11.0
85.02424	0.5
85.02892	8.8
85.06545	3.1
87.00829	3.1
89.06006	0.5
91.05453	1.8
92.08660	0.3
92.64387	0.3
93.03419	0.3
97.02876	5.6
99.04443	1.3
101.05997	2.5
103.05457	2.6
105.01845	2.2
105.07047	0.4
107.04913	0.4
109.02870	5.2
109.06505	0.4
110.03732	0.4
111.04409	1.8
114.83867	0.3
115.03880	0.4
119.04926	1.9
121.06472	0.6
123.04396	0.6
123.08047	0.4
125.02353	0.5
125.06026	0.3
127.03903	7.3
131.04916	7.8
131.08537	0.4
133.06500	0.4
137.02327	100.0
137.03375	6.1
137.05951	1.7
138.02611	0.5
138.06758	1.6
145.04982	1.2
147.04333	0.6
148.05165	1.5
149.02359	2.9
151.03954	1.3
151.07530	4.3
155.03391	1.6
159.02916	0.7
163.03909	0.7
163.07521	3.4
165.09064	0.7
166.06241	1.8
181.08606	1.1
193.08592	0.7
231.05040	0.7
237.07722	0.6
237.11249	0.8
244.04645	0.4
255.12256	2.3
277.10889	0.5
281.06622	0.6
291.89478	0.3
297.06094	0.6
299.07571	2.2
311.27423	0.4
321.48779	0.4
357.68396	0.3
381.11734	0.7
399.12906	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50375	0.2
53.00296	0.2
53.03928	1.2
53.39682	0.2
54.81815	0.2
55.01866	1.4
55.05495	1.0
56.01088	0.2
56.54454	0.2
57.03432	3.6
57.07058	1.0
57.61261	0.2
61.02910	0.9
65.03911	0.3
67.05498	1.7
68.26736	0.2
68.80705	0.2
68.99760	0.3
69.03416	3.7
71.01340	0.4
71.04964	1.4
73.02907	0.9
75.04462	1.2
79.05472	0.2
81.03398	5.7
83.04967	11.5
85.02892	9.5
85.06525	3.9
87.00815	3.2
87.04436	0.2
89.06026	0.5
91.03924	0.2
91.05459	2.0
93.03386	0.2
93.07020	0.4
95.04951	0.3
97.02869	5.7
99.04439	1.2
101.05988	1.8
103.05450	6.5
103.06075	0.3
103.07548	1.0
105.01824	2.2
105.03375	0.7
105.07011	0.5
107.08613	0.3
109.02868	3.9
109.06556	0.3
110.03642	1.1
110.06033	0.4
111.04436	1.7
113.51502	0.2
115.03926	0.4
117.01786	0.3
119.04934	2.7
121.06515	1.6
123.04417	2.9
123.08057	0.3
124.05193	0.4
125.02364	0.2
127.03896	6.3
129.01801	0.2
130.04111	0.2
131.04903	20.9
131.08546	0.3
132.54706	0.2
133.06448	0.4
135.04381	0.3
135.08060	0.4
137.02325	100.0
137.05916	4.6
138.02695	1.0
138.06720	3.5
145.04971	1.6
147.04408	0.9
147.08022	0.3
148.05183	3.2
149.02328	1.3
151.03871	0.8
151.07515	4.3
155.03391	1.3
159.02890	0.9
161.05899	0.5
162.06758	0.2
163.03929	1.2
163.07503	8.6
165.09087	0.4
166.06221	3.6
169.05003	0.3
173.09641	0.3
175.07590	0.4
177.09087	0.3
177.26038	0.2
181.08557	3.2
189.06059	0.2
189.09100	0.2
193.08517	0.5
213.03960	0.3
219.10078	0.3
231.05028	0.9
237.11128	2.3
255.12233	7.6
277.10458	0.4
281.06546	0.4
297.06049	0.3
299.07574	2.0
381.11594	1.2
399.12708	3.4
399.16821	0.3
457.28003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58212	0.9
75.88219	1.0
91.05455	1.6
98.89259	1.1
101.78095	1.1
107.08600	1.2
109.10225	1.0
119.08585	2.1
154.67740	1.2
283.06152	3.5
376.66959	1.2
433.25519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01867	1.6
57.03424	7.3
61.02910	1.3
65.02939	0.8
67.05493	0.9
69.03417	5.6
71.04965	1.0
75.04446	1.8
79.05483	1.0
81.03398	3.4
83.01310	1.0
85.02897	13.4
89.03893	1.9
91.05464	1.1
92.08728	1.1
95.55485	0.8
97.02859	5.6
100.07596	2.1
105.07069	1.2
106.24175	0.8
107.04935	1.3
109.02892	3.3
113.05975	1.8
117.03365	3.8
117.07014	0.9
119.08582	1.1
123.04427	2.1
127.03901	2.0
129.06993	0.9
131.04910	1.8
131.08508	1.0
135.04404	13.5
137.02336	24.4
137.03374	1.4
138.02646	2.0
139.03847	1.1
145.02834	12.9
145.04924	1.6
145.06581	1.2
147.04361	1.8
147.08061	1.0
151.03949	1.4
163.03877	100.0
163.07520	1.6
173.05922	3.1
175.07474	8.5
181.04912	7.4
191.07062	1.1
201.05450	1.1
201.09058	6.3
219.06441	7.2
237.07541	18.2
255.08589	24.0
299.07455	1.3
406.05380	1.0
434.16986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2346
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.06170	3.2
53.00303	3.3
55.05505	20.0
56.96563	3.5
57.03431	21.1
67.05494	78.1
69.03412	4.7
69.07049	16.3
72.97894	4.1
79.05476	59.7
81.07037	76.9
83.08640	5.4
91.05478	33.4
92.64551	3.6
93.07024	59.6
95.08592	52.5
98.98448	94.9
105.07032	23.7
107.08582	53.1
108.08895	6.4
109.10160	26.1
110.73470	4.9
117.07023	5.7
119.08561	72.3
120.08893	23.1
121.10121	23.9
123.11690	8.9
125.70412	4.2
131.08562	16.2
133.10178	6.8
135.08046	16.4
135.11690	17.7
145.10127	9.8
149.13240	6.9
149.93324	4.1
151.14838	3.8
152.34122	4.6
155.01065	7.2
161.13264	5.6
191.60204	4.8
243.20961	6.9
253.36972	4.3
261.22171	29.6
317.24826	6.1
335.25751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	6.1
55.05506	9.8
56.96548	3.9
60.68281	5.3
67.05493	43.3
69.07048	24.8
69.07409	3.5
71.04974	49.6
79.05477	25.7
81.03385	5.8
81.07030	49.6
85.02884	8.4
91.05445	19.8
93.07024	47.6
95.04936	43.5
95.08588	26.5
97.02856	4.5
97.06532	7.6
105.07030	40.0
107.08578	100.0
109.02873	3.7
109.10155	60.1
109.16155	3.9
111.08051	28.0
119.04905	5.5
119.08571	40.7
121.02834	6.3
121.06520	5.1
121.10141	32.8
125.09619	40.5
127.11127	5.1
131.08542	16.4
133.10114	18.1
135.11676	45.5
145.10089	32.1
147.07982	4.5
147.11673	66.1
149.13330	4.7
153.12724	28.3
157.10103	4.4
159.11740	4.1
165.01947	5.3
175.14792	6.4
189.16338	30.0
199.14832	4.6
217.15820	30.7
235.16870	47.0
253.17978	62.9
271.05981	22.9
283.05969	83.3
284.06848	10.1
295.06097	5.8
297.07529	8.0
309.07483	16.9
313.06982	57.0
323.09119	5.7
337.06967	26.2
340.78796	5.2
343.35541	4.6
357.94238	4.9
379.08093	8.7
397.08954	6.8
415.09985	7.3
433.11127	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.01857	2.1
55.05499	20.9
57.03432	23.9
57.07065	2.7
58.48022	2.4
59.35203	2.3
63.51893	2.5
66.91881	3.3
67.05145	3.1
67.05494	83.0
68.73734	2.3
69.07047	13.1
79.05472	62.4
81.06590	5.2
81.07037	83.7
83.08596	6.8
91.05458	33.4
93.07023	80.2
95.04948	3.9
95.08588	78.4
98.98448	89.7
105.07000	18.6
107.08580	39.4
109.06477	3.1
109.10152	28.1
117.06969	11.4
119.08531	15.6
121.10136	31.2
123.11668	4.6
131.08537	15.9
133.10069	6.7
135.11678	23.0
137.13196	2.6
145.10103	11.1
147.11658	15.0
149.13313	9.8
155.01031	5.2
159.11641	6.0
161.13193	3.4
163.14796	6.4
173.02119	6.3
173.13235	5.9
187.14841	3.2
243.21013	22.6
261.22049	39.4
283.05890	13.1
284.06662	3.2
313.06979	4.0
317.24637	5.8
335.25726	100.0
368.64529	2.7
403.10336	5.3
433.15027	3.5
440.89841	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	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.82029	0.7
55.01848	0.9
57.03421	0.7
61.81469	0.6
73.41741	0.6
74.62057	0.7
79.01858	0.9
81.03409	1.6
85.02883	4.0
91.05466	0.9
93.39768	0.8
112.54821	0.7
119.04895	5.3
121.02845	17.8
126.24274	0.6
131.04842	0.8
141.01741	1.3
145.02840	3.9
147.04448	0.7
149.02376	1.1
163.03903	5.4
165.01799	13.4
167.03326	2.6
176.69902	0.8
183.02875	6.7
187.03839	2.8
191.03334	0.9
195.02953	1.1
197.05803	0.7
205.04935	0.9
213.05394	5.1
217.04915	1.3
227.07147	0.8
229.04913	1.3
239.06952	1.0
242.05885	0.7
243.02887	0.9
243.06551	1.2
255.06435	4.9
256.07184	6.6
259.05948	0.7
261.03964	3.1
267.06476	4.7
270.05197	2.8
271.05939	4.9
279.06430	0.9
281.07999	6.9
283.05957	100.0
284.06699	29.8
285.07458	1.4
293.08499	1.1
295.05981	14.2
295.09387	2.3
297.04199	1.1
297.07465	13.3
305.07965	1.4
307.05930	1.1
308.06760	3.2
309.04205	1.6
309.07523	16.4
311.05450	1.1
313.06992	72.5
321.07602	3.9
323.05566	1.9
323.09045	20.2
325.07007	3.2
327.08493	0.8
333.07584	3.4
337.07010	22.1
343.08215	1.4
349.07144	7.3
351.08633	4.0
355.07809	0.9
361.06906	5.3
367.08203	11.6
379.08005	10.8
397.09113	19.4
415.10190	20.4
433.11282	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	433.1467
Annotation	Captopril disulfide
Peak:m/z	Relative Intensity
54.82230	1.9
81.03421	2.1
85.02906	2.0
94.74532	2.1
97.30740	2.0
98.97540	3.0
99.04470	1.8
100.74030	1.8
111.18166	1.8
116.54711	2.2
118.77053	1.7
134.99597	2.2
137.05992	12.9
137.46895	2.0
138.06308	3.2
142.72522	1.8
152.86206	2.2
175.03676	8.6
433.14624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.149
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.81824	0.4
55.05499	0.7
56.96561	0.6
57.03423	0.6
60.50823	0.4
63.30917	0.3
67.05489	5.2
69.07063	0.6
79.05465	2.6
81.07039	4.8
91.05463	1.9
92.08645	0.8
93.07009	3.8
95.08587	3.7
96.67098	0.5
98.98429	3.6
105.06997	1.0
107.08570	1.8
109.06507	0.6
109.10142	1.6
114.85146	0.5
119.08527	0.7
121.10107	1.7
127.03932	0.8
131.08557	0.7
135.04526	0.5
135.11691	0.7
145.10118	0.4
151.07558	1.1
161.13200	0.5
163.07541	0.6
165.05431	11.6
165.06677	0.7
178.06265	0.9
183.02855	4.9
191.06973	0.5
205.08560	0.7
206.30171	0.6
211.02393	3.2
229.03447	1.8
233.08188	0.8
243.06358	0.6
261.07489	0.7
261.22098	1.0
271.05981	2.2
283.05997	2.3
286.08124	0.5
288.06265	0.6
289.07047	5.0
299.05649	3.7
299.08502	0.6
301.06894	0.9
302.04306	0.6
311.05450	3.2
313.03522	1.3
313.07013	1.8
314.07849	0.9
317.06412	6.1
325.07129	0.6
327.05014	6.0
327.08661	0.7
329.06543	2.6
329.10104	0.9
331.08017	1.7
335.25766	5.0
339.04984	5.0
341.02814	0.9
341.06564	2.0
342.07166	3.7
345.06036	14.1
345.09927	0.7
355.04425	1.0
355.08234	0.6
357.05905	2.7
357.09644	3.6
359.07339	3.6
360.08340	3.6
369.06021	1.0
370.06778	1.0
373.05380	6.5
373.09329	0.7
375.10706	2.5
384.08542	0.6
385.09085	9.5
387.06976	5.8
387.10898	0.5
388.07620	5.2
399.10831	2.0
403.10168	100.0
404.10632	0.9
417.11838	5.7
418.12613	7.1
430.58762	0.5
433.14865	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.81726	0.3
55.05533	0.3
56.54744	0.2
60.09615	0.2
62.63199	0.3
67.01854	0.3
78.33608	0.3
85.02876	1.4
104.55956	0.3
118.13510	0.3
119.04915	3.1
121.02836	1.4
125.05915	0.3
145.02824	0.6
148.71977	0.3
153.01805	6.8
163.03839	0.5
165.01779	2.5
171.02805	0.4
183.02849	0.5
217.15823	0.4
225.05389	0.4
267.06473	1.2
271.05951	100.0
281.08026	1.2
283.05972	12.1
284.06808	1.2
295.06079	0.4
309.07541	2.9
313.07019	7.3
323.09027	2.0
337.06958	2.8
349.07129	1.3
351.08466	0.3
361.07132	0.6
367.08038	1.3
379.07956	1.6
397.09164	1.3
398.07568	0.4
415.10007	1.1
433.11176	4.6
453.33334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.5
53.03940	1.0
55.01863	0.8
55.05505	42.7
57.03429	0.8
57.07070	6.7
59.04982	2.8
61.02908	0.6
61.40519	0.5
63.70330	0.4
67.05486	0.9
69.03419	3.0
69.07066	2.6
69.23825	0.5
71.04976	1.0
73.02048	0.5
79.05470	3.1
81.03408	1.3
81.07025	6.5
83.04967	10.2
85.02889	8.3
85.06527	1.0
91.05466	3.8
92.08617	1.1
93.07015	5.0
95.04940	7.6
95.08582	2.4
97.02878	2.4
97.06511	5.6
103.05483	0.8
105.07024	6.8
107.08584	8.9
109.02879	0.5
109.06493	5.3
109.10150	2.6
114.14114	0.6
117.06989	1.0
119.04906	0.9
119.08552	11.3
121.02858	0.7
121.06477	0.9
121.10130	1.4
123.08051	1.2
123.11660	0.7
125.05972	21.1
127.03875	0.9
128.06197	0.7
129.07021	0.6
131.04929	1.1
131.08530	2.3
133.06487	0.8
133.10106	10.6
135.08026	15.3
135.08978	1.0
135.11716	0.9
137.05966	4.1
137.09590	3.5
142.07777	0.8
143.08565	2.3
145.04961	0.5
145.10117	2.9
147.08054	3.5
147.11682	3.4
147.16805	0.6
149.09607	10.4
151.11174	2.2
157.10126	3.3
159.11699	2.9
161.09590	15.8
162.10371	3.4
163.11134	4.2
171.11691	1.4
173.13251	0.8
175.11153	4.4
175.14827	2.9
179.10643	44.6
184.12407	0.9
189.16393	0.9
199.14833	2.8
202.13480	1.0
205.45308	0.7
217.15836	43.3
218.16180	0.6
235.16890	100.0
271.06033	2.9
283.05991	4.6
313.06741	4.3
333.97040	0.6
337.06833	1.0
356.82550	0.6
378.24500	0.6
397.08810	0.6
397.22305	2.0
433.11478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
58.27610	1.2
61.19197	1.1
65.96528	1.2
68.99791	1.7
79.01818	1.5
85.02905	2.1
92.08736	1.2
97.24960	1.2
97.52457	1.2
111.33198	1.4
119.04942	3.0
121.02843	22.6
127.82691	1.4
141.01859	1.3
145.02858	2.2
161.73712	1.2
163.03879	2.2
165.01836	7.6
167.03284	1.5
168.94902	1.2
181.04970	1.5
183.02878	6.2
187.03894	1.4
213.05519	5.5
217.04921	3.1
228.07964	1.4
255.06487	9.5
256.07309	10.6
258.53204	1.4
261.04010	1.3
267.06598	2.9
271.06018	5.5
281.08109	5.1
283.05969	100.0
284.06726	39.2
295.05875	13.9
297.07480	17.6
308.06705	2.3
309.07562	11.5
313.07001	97.4
321.07526	1.9
323.09052	22.6
325.07031	5.8
333.07483	1.3
337.07028	24.3
343.08185	5.6
349.07053	2.7
351.08578	5.8
367.07944	15.3
379.08160	10.1
397.09155	22.7
415.10220	28.5
433.11234	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.1
56.11811	0.1
56.51646	0.1
69.03437	1.1
69.07034	0.8
71.01340	0.3
71.04956	0.2
73.02893	0.3
79.05489	0.3
81.03391	0.8
83.73020	0.2
85.02890	1.0
87.08075	0.3
88.02187	0.2
91.05467	0.4
93.07021	1.0
97.02863	1.5
99.04438	0.3
103.05448	5.6
103.91278	0.1
107.04928	1.8
109.02805	0.2
118.66992	0.2
120.08083	100.0
121.08417	1.0
127.03867	0.4
131.04889	3.0
132.30086	0.2
145.02806	0.3
145.04990	0.2
148.03906	1.4
149.05974	1.8
163.18864	0.2
166.04961	3.2
166.08606	26.9
167.08998	0.4
177.05449	0.3
184.06067	1.4
191.06990	0.2
215.05476	0.8
281.10165	0.8
404.83786	0.2
445.46185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05234	1.3
55.05504	41.1
57.03437	1.2
57.07065	5.2
59.04985	1.9
61.02911	1.0
67.05495	0.8
69.03423	4.2
69.07061	3.1
74.50085	0.7
79.05476	3.3
81.03390	1.5
81.07048	6.9
83.04967	9.5
85.02880	7.8
91.05463	4.5
93.07014	5.6
95.04961	8.2
95.08595	3.3
97.02878	1.3
97.06503	5.6
101.09470	0.7
105.07009	8.3
107.05008	0.9
107.08566	12.2
109.06512	4.6
109.10147	4.3
117.06986	1.2
119.04908	1.0
119.08565	11.8
121.02806	0.8
121.06441	0.8
121.10120	3.7
123.08064	1.6
125.05961	19.6
127.03905	0.8
128.06195	1.0
129.06947	1.1
131.08528	3.6
133.10104	12.3
135.08025	16.3
135.11664	3.7
137.02338	0.9
137.05983	3.3
137.09596	4.6
143.08568	1.8
145.04980	0.7
145.10098	1.7
147.04607	0.8
147.08040	3.3
147.11688	3.3
149.02301	1.2
149.09593	11.6
151.11130	1.6
153.68816	0.7
157.10059	3.0
159.11679	7.5
161.09589	14.4
162.10411	3.6
163.03873	17.9
163.11104	5.2
163.67432	0.9
165.01750	1.0
165.22963	0.9
171.11693	0.9
175.11195	4.2
175.14815	3.8
179.10634	41.5
180.11261	0.8
189.16360	1.4
193.15907	1.3
199.14836	3.8
217.15840	32.9
235.09607	1.7
235.16890	100.0
253.17935	3.6
271.06076	1.4
283.06000	6.1
297.07327	1.0
309.07599	1.0
313.07120	3.0
323.09311	0.8
397.22101	1.3
433.11200	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.7
54.81751	1.3
55.01849	9.2
55.05487	1.5
55.34904	1.2
55.52074	1.3
57.03413	9.6
57.45947	1.4
59.04994	12.4
60.05309	3.0
61.02916	10.6
68.99770	3.1
69.03056	2.6
69.03410	39.8
71.04956	2.4
73.02879	9.6
81.03400	33.9
83.01328	1.7
85.02888	100.0
86.09678	1.7
87.00809	50.4
87.04455	2.1
91.03902	1.7
91.05453	2.9
93.07009	6.0
95.04926	1.4
97.02863	46.5
97.12120	1.4
99.04427	19.5
103.03897	6.0
105.01840	37.2
105.06973	1.8
107.04929	36.8
109.02854	26.4
109.98622	1.3
117.01836	3.2
119.04930	3.5
119.08521	6.2
121.06482	3.3
121.10094	8.9
126.62270	1.5
127.03896	53.2
129.01819	3.2
131.04926	11.4
131.08534	22.7
133.10080	3.1
137.02295	1.8
145.04927	17.4
145.06497	2.1
145.10100	1.7
147.02879	2.5
147.04367	9.7
147.07924	2.1
149.05948	10.3
149.09590	27.5
159.02844	14.7
163.03864	5.6
173.05934	8.0
173.09590	12.5
189.03899	10.3
191.10617	5.5
211.70155	1.5
213.04056	1.7
215.06967	2.7
215.10638	6.4
231.04997	8.9
233.11612	2.7
249.06068	2.5
257.11661	6.2
305.07452	1.8
309.38669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.1
56.07948	0.8
57.03428	45.0
59.04981	6.3
60.04508	2.4
61.02904	6.4
61.12538	0.9
62.64709	0.8
63.01316	0.8
66.35381	0.8
69.03417	100.0
71.01335	2.1
73.02899	24.7
75.04456	3.8
75.07353	0.9
81.03411	1.7
83.04951	1.0
85.02893	76.8
87.04450	57.7
90.17593	0.9
91.03947	1.1
93.07027	4.8
95.04906	1.1
97.02873	69.8
97.06512	1.2
99.04453	1.2
99.11560	0.9
105.06992	1.3
107.04922	5.1
109.02866	1.7
111.04408	1.3
115.03912	70.4
121.02856	1.1
121.06481	44.3
122.75352	0.9
123.04381	1.1
127.03907	5.5
133.04945	64.0
133.06509	5.8
134.96800	0.9
145.04950	5.0
145.06468	4.2
150.07611	12.8
154.01738	0.9
154.42065	0.9
163.03783	1.1
163.07506	3.9
169.04912	1.5
180.08693	1.1
187.07468	1.1
241.07175	1.4
259.08063	2.3
277.09109	1.3
283.06006	8.5
284.06668	1.4
295.10080	1.3
313.07022	6.5
315.82742	1.0
397.09106	1.6
415.09918	1.2
430.27411	1.0
433.11102	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	46.6
59.04975	6.3
60.04506	2.1
61.02915	6.0
69.03414	100.0
71.01319	1.4
73.02898	26.8
75.04452	1.5
81.03387	2.6
85.02888	71.2
87.03935	2.5
87.04452	58.1
93.06990	4.6
96.82082	1.4
97.02867	67.3
99.04461	1.8
105.07039	1.8
107.04944	7.4
115.03148	2.6
115.03914	60.9
118.55519	1.3
121.02808	1.8
121.06487	41.5
127.03878	6.7
133.04945	57.2
133.06479	2.6
144.40869	1.4
145.04950	6.7
145.06464	6.4
149.67041	1.4
150.07613	9.6
150.55888	1.4
150.80031	1.3
151.09807	1.5
163.06093	2.4
163.07504	4.7
241.07069	1.9
270.87323	1.4
283.06042	8.2
284.06754	1.8
295.06052	1.4
297.07532	1.4
309.07242	1.9
313.06912	6.2
402.64838	1.4
433.11218	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	431.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.0
57.07069	6.7
66.64118	2.9
67.05487	19.4
69.07043	16.8
71.04982	3.0
75.57214	2.7
79.05471	13.3
81.07040	65.9
83.04948	13.0
83.08594	11.5
85.06514	4.9
91.05477	6.2
93.07030	32.8
95.04949	3.6
95.08587	100.0
97.10133	5.0
98.26056	3.3
101.05975	3.4
105.07006	15.9
107.08564	43.9
109.10142	67.1
117.97049	3.0
119.08569	18.4
121.06451	18.0
121.10123	50.9
123.11694	28.1
127.07519	3.3
133.10121	25.1
134.29250	2.9
135.11653	36.4
137.13223	24.7
145.10197	3.3
147.11699	15.8
149.13231	36.3
151.14777	11.2
161.13275	7.2
163.14795	13.7
173.13223	7.1
175.14752	6.7
177.16335	6.0
187.14804	3.3
189.16382	3.8
191.17966	4.0
203.18015	4.4
205.19507	29.7
217.19409	5.8
245.22791	3.9
292.04657	3.0
327.30319	29.3
345.31534	37.1
395.32877	6.2
452.16113	3.1
454.81726	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	430.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61509	0.3
53.03931	0.4
55.01860	0.8
55.05503	3.6
57.03431	0.7
58.96535	0.4
61.02892	0.5
61.95637	0.4
62.56897	0.4
67.05496	0.5
69.03414	3.1
69.07039	0.4
72.83211	0.4
79.05464	2.4
81.03383	0.6
83.04938	1.6
85.02890	4.8
91.05447	3.6
92.09290	0.5
93.07011	5.9
95.04936	1.8
97.02863	2.4
97.06512	1.8
105.06996	3.5
107.08559	6.8
119.08520	0.8
119.17178	0.3
121.10093	3.7
123.08017	3.2
127.03915	0.8
129.07004	0.5
131.08566	4.5
133.10124	0.7
135.07964	1.3
137.02319	0.5
137.05972	0.5
147.07983	0.7
149.09593	100.0
150.09898	0.7
153.37752	0.4
159.07991	0.7
161.09590	5.0
163.03853	0.7
164.07048	0.6
175.11130	1.5
177.09073	2.7
179.10666	3.6
181.12248	0.8
182.08115	0.5
193.12206	0.9
233.15318	41.7
250.34569	0.4
251.09039	0.4
259.09647	0.6
341.47925	0.4
376.09186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58265	1.8
53.90331	1.9
55.05508	2.2
59.63856	1.9
63.76122	1.9
68.65037	1.7
71.45895	2.0
77.00602	17.7
84.64402	2.0
89.06015	16.8
91.05788	8.4
95.01631	100.0
113.02696	2.5
118.03197	2.7
121.03194	2.4
140.96381	2.4
145.06831	13.3
147.04691	21.8
165.05750	4.1
169.03461	3.6
174.14877	2.2
181.33167	2.3
189.09459	5.3
191.07277	3.0
233.11984	64.5
239.09473	2.1
274.89600	2.2
312.56787	2.3
358.59024	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.6
57.03432	14.7
57.07072	5.0
58.26926	3.1
64.33438	3.6
67.05487	40.7
69.07056	7.4
79.05478	42.5
81.07037	43.2
83.08578	4.5
84.01476	3.3
91.05475	51.6
93.07030	47.0
95.04945	4.3
95.08578	24.7
98.98443	100.0
105.07003	49.3
107.08543	30.2
109.10153	6.1
117.07001	14.8
119.08559	57.6
121.10126	29.6
129.05525	4.1
129.06955	5.5
131.08548	23.3
131.53850	3.4
133.10104	34.1
135.11652	8.5
143.08545	4.6
145.10100	16.1
147.08038	3.9
147.11678	18.8
157.10097	5.5
158.62523	4.1
159.11676	18.1
161.13188	30.1
171.11656	7.7
173.02034	7.1
173.13216	7.0
175.14771	7.9
185.13281	7.0
215.17877	3.8
236.71106	3.9
241.19534	27.8
259.20520	55.7
329.99283	4.2
333.24146	56.7
435.84793	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.2
55.01864	12.6
57.03421	9.6
61.02910	5.5
63.36504	2.0
69.03417	39.6
71.04976	9.7
73.02895	11.8
75.41730	2.5
79.05470	2.6
79.32756	2.2
81.03403	42.6
81.07027	2.9
85.02892	100.0
87.00817	52.9
91.03948	2.5
91.05489	2.9
93.07072	2.2
95.08592	2.6
97.02885	54.6
99.04448	16.3
105.01859	39.9
105.07028	11.3
109.02862	31.4
117.01826	4.4
119.08549	25.0
123.04434	2.7
127.03902	52.9
129.01892	2.8
145.04979	26.1
145.06023	3.0
145.10138	3.2
147.08014	4.1
147.11676	67.5
159.02881	21.0
213.03976	4.2
231.04999	12.9
248.77086	2.3
250.11975	2.1
345.30527	2.5
447.13269	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	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.2
55.01864	12.6
57.03421	9.6
61.02910	5.5
63.36504	2.0
69.03417	39.6
71.04976	9.7
73.02895	11.8
75.41730	2.5
79.05470	2.6
79.32756	2.2
81.03403	42.6
81.07027	2.9
85.02892	100.0
87.00817	52.9
91.03948	2.5
91.05489	2.9
93.07072	2.2
95.08592	2.6
97.02885	54.6
99.04448	16.3
105.01859	39.9
105.07028	11.3
109.02862	31.4
117.01826	4.4
119.08549	25.0
123.04434	2.7
127.03902	52.9
129.01892	2.8
145.04979	26.1
145.06023	3.0
145.10138	3.2
147.08014	4.1
147.11676	67.5
159.02881	21.0
213.03976	4.2
231.04999	12.9
248.77086	2.3
250.11975	2.1
345.30527	2.5
447.13269	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45013	0.2
53.03940	0.2
56.96551	0.2
57.03419	1.3
59.04971	0.4
68.69135	0.2
69.03415	1.7
71.04963	0.2
73.02907	0.4
79.05470	0.4
79.88725	0.2
80.29110	0.2
81.03406	0.4
85.02903	1.9
85.22903	0.2
87.04457	0.4
92.74655	0.2
93.07031	1.1
95.04939	0.2
97.02848	1.4
98.97585	0.8
99.04476	0.2
101.05972	0.2
103.05455	5.4
107.04939	2.0
109.02836	0.3
110.70298	0.2
115.03876	0.3
119.07056	0.5
120.08086	100.0
121.08432	0.4
127.03912	0.4
131.04897	2.7
136.06204	0.3
137.02318	0.2
140.04497	0.2
145.04930	0.4
149.05962	1.4
163.03839	0.9
166.08609	26.4
252.97919	0.2
280.05191	0.2
371.00562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94883	0.4
53.03936	2.1
54.81240	0.5
55.01849	3.2
57.03435	1.1
57.07076	0.5
61.02906	2.8
65.03931	1.1
68.99776	0.9
69.03416	13.1
71.01347	0.5
71.04964	1.9
73.02892	4.7
81.03397	8.5
85.02893	23.0
87.00317	0.7
87.00819	12.3
87.43970	0.5
89.02387	1.1
91.05457	3.2
92.09275	0.9
95.04928	2.4
97.02880	14.3
99.04436	3.9
105.01834	6.4
109.02880	8.9
111.04426	1.0
113.02367	0.8
115.03934	0.9
119.04925	12.9
119.10670	0.9
121.02847	100.0
121.10081	0.9
127.03900	13.3
129.01819	0.7
131.03381	1.2
133.04930	0.5
137.02328	14.4
137.03345	0.9
138.02660	3.7
139.03885	3.9
145.04932	5.9
147.04391	58.8
148.04744	0.7
155.03413	0.6
159.02875	3.3
163.03838	1.0
165.05455	3.1
189.05414	0.9
231.04913	1.2
233.08061	0.8
249.64485	0.5
261.68481	0.6
265.07062	0.8
283.08090	8.4
309.09244	0.6
395.09647	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	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61915	1.1
53.03951	11.5
55.01855	8.3
57.03419	7.9
61.02900	7.8
68.99780	3.0
69.03413	38.4
70.06599	2.4
71.04969	6.7
73.02884	10.9
81.03403	36.2
85.02892	100.0
85.06461	1.6
86.09696	2.6
87.00314	2.7
87.00815	49.5
91.03934	2.1
95.04926	1.8
95.72260	1.5
97.02875	37.6
97.89302	1.4
99.04443	17.3
103.03951	2.3
105.01848	30.0
105.07057	1.6
107.04937	48.6
109.02875	28.2
117.01840	2.2
119.08543	3.7
121.06514	1.8
121.10097	1.8
127.03905	49.6
129.01793	2.0
131.04887	13.4
135.04379	1.5
137.02318	2.2
145.04962	17.0
147.04391	2.6
147.08005	6.6
149.05954	21.1
159.01804	1.4
159.02895	16.4
161.05844	1.6
163.03879	18.7
164.04195	3.6
171.24060	1.4
173.05971	8.8
189.09088	10.4
197.06062	1.7
207.10190	3.2
215.07068	3.0
231.04971	8.5
231.10114	6.3
249.06024	2.7
259.09680	1.6
273.11206	2.8
275.77994	1.7
286.08554	1.6
376.25787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.73916	1.8
55.05502	3.3
57.07074	27.6
59.41325	1.7
67.05486	3.2
68.26028	1.5
69.07038	2.9
71.08618	13.6
81.05266	1.6
81.07050	9.7
83.08625	2.1
85.10171	3.1
92.09314	2.8
93.07040	4.2
95.08602	10.6
104.83903	1.9
105.07064	3.0
107.08569	4.2
109.10169	8.5
109.90097	1.8
113.88954	2.3
119.08530	3.3
121.10136	2.8
135.08060	10.7
137.09608	16.6
145.10147	2.8
149.09586	24.0
159.11874	2.8
163.11238	16.5
165.09097	100.0
169.45499	2.1
175.11261	3.0
176.08327	2.9
177.09114	13.2
177.12807	2.1
187.11140	2.3
191.10698	14.2
205.12233	11.0
233.15218	2.1
409.18320	2.1
429.31863	6.3
429.37238	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01868	5.6
57.03423	3.5
59.43928	0.4
61.02908	3.5
67.05458	0.5
67.60471	0.5
68.99783	1.0
69.03072	0.9
69.03418	15.9
70.06200	1.0
70.06580	24.1
71.04964	2.7
71.06907	0.9
73.02895	3.3
75.15665	0.5
76.56686	0.4
78.44450	0.6
81.03407	13.5
85.02892	36.9
86.09687	4.9
87.00815	18.5
91.03973	0.8
91.05462	5.4
97.02877	17.4
99.04440	7.9
105.01853	11.8
107.08552	0.5
109.02162	0.6
109.02879	14.0
117.01820	2.8
119.04923	19.6
123.04383	1.1
127.03905	19.2
129.01845	1.2
137.02345	6.2
141.28999	0.6
143.04865	0.7
145.04965	7.1
147.04398	100.0
159.02838	6.4
163.03870	2.0
165.05516	4.1
165.06789	0.6
171.04395	1.2
182.07999	1.0
183.14891	5.0
184.15253	0.8
189.05414	1.9
197.05934	0.7
205.96310	0.6
211.14397	3.1
213.03851	0.9
231.04723	4.0
233.08185	0.8
242.37802	0.5
255.06540	0.6
309.65945	0.6
324.22821	0.6
379.78348	0.6
395.09540	6.4
413.10580	2.8
429.27017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.82313	0.5
55.05510	4.9
55.05725	0.6
57.07067	25.1
63.12156	0.8
67.05493	6.4
69.07062	4.9
71.08617	16.2
71.10909	0.6
73.67969	0.8
79.05463	1.1
81.07038	9.1
83.08576	2.8
85.10189	5.0
91.05455	4.6
91.91074	0.6
92.09335	0.8
93.07033	2.9
95.08578	7.2
97.10107	0.9
105.07020	4.2
107.08600	9.8
109.10146	7.8
111.04433	1.4
111.11739	0.6
117.07007	0.9
119.08550	5.2
121.06428	0.9
121.10117	6.4
121.43688	0.7
123.08053	1.0
123.11648	0.7
131.08530	4.2
132.74161	0.7
133.10115	0.8
135.08041	7.1
135.11690	3.0
137.09593	16.4
139.07529	3.4
145.10118	3.3
149.09596	19.5
151.07529	1.2
158.10904	0.8
159.07986	0.9
159.11674	5.2
160.08836	0.9
161.09569	0.8
162.06796	1.3
163.07567	0.8
163.11156	23.0
165.09082	100.0
172.08748	1.3
172.78380	0.7
173.09572	2.9
173.13226	3.2
174.10338	0.9
175.11182	6.6
176.08301	1.6
177.09065	12.9
177.12749	3.2
179.10588	1.0
187.11111	1.7
189.12784	1.4
190.09886	3.2
191.10617	12.4
201.12720	3.6
203.10713	3.5
204.11365	1.4
205.12209	8.3
215.14304	1.5
219.13802	3.9
233.15221	1.2
247.17004	0.9
255.81761	0.8
261.18375	0.9
276.59790	0.7
303.23083	1.4
315.78079	0.7
401.33948	0.9
411.36130	1.4
429.32169	1.9
429.37183	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81543	0.3
69.03415	1.5
69.07049	0.3
70.06579	100.0
71.06895	0.2
81.03415	0.3
85.02904	1.5
86.09692	23.7
87.00816	0.4
91.05447	0.2
97.02887	1.8
103.63426	0.2
114.09192	1.0
115.03924	0.3
118.10759	0.3
119.04947	0.9
119.10754	0.3
127.03865	0.4
137.02335	1.3
145.04919	0.3
147.04388	4.3
156.95343	0.2
163.03970	0.3
163.11107	0.3
183.14900	26.8
193.95029	0.2
199.17946	1.7
211.14389	17.7
219.13351	2.8
227.17595	1.1
319.00766	0.2
324.22733	6.7
332.21802	0.3
411.26077	0.4
421.04535	0.3
429.21320	0.5
429.27002	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.98110	3.4
50.98391	4.1
55.05502	10.5
57.07056	25.5
66.91194	4.4
69.07062	42.0
71.08610	19.4
76.99613	4.3
79.05489	7.5
81.07037	32.7
83.08603	16.8
85.10162	17.3
86.51703	4.9
93.07006	11.0
95.08592	42.9
97.10144	9.4
105.07013	26.5
107.08556	21.7
109.10141	22.3
119.08558	20.0
121.10115	10.3
123.08057	6.9
123.11662	9.5
131.08572	4.7
133.10095	10.6
135.11636	18.7
145.10098	20.2
147.11664	9.2
149.09621	19.9
157.10115	16.8
159.11684	9.7
163.11217	7.4
165.09073	37.2
173.13261	6.1
175.11165	22.4
185.13179	6.0
253.19435	8.8
281.00018	4.3
281.29150	4.1
354.63669	4.6
411.36063	25.8
427.56128	4.9
429.32037	14.2
429.37189	100.0
437.51508	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	429.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29124	0.2
52.67590	0.2
53.03932	1.5
54.82319	0.2
55.01870	0.3
55.05522	0.2
56.79541	0.2
57.03434	0.4
59.58494	0.2
60.00788	0.2
65.03925	1.3
69.03418	4.0
71.04977	0.5
73.02905	0.2
73.56808	0.2
81.03400	10.9
81.41922	0.2
85.02887	3.6
92.04492	0.2
93.03378	2.2
96.09769	0.2
97.02872	4.9
99.04421	0.4
109.02858	4.9
111.04434	7.3
127.03901	4.6
137.02328	100.0
137.03378	6.3
140.21008	0.2
145.04974	0.5
155.03375	7.9
205.01259	0.3
215.06572	0.2
218.46101	0.2
219.76672	0.2
238.19122	0.2
281.06537	8.4
299.07596	3.5
382.36087	0.3
388.32449	0.3
394.81021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87101	0.1
53.03935	0.6
55.01860	0.3
57.97245	0.1
64.97771	0.1
65.03918	0.5
68.99780	0.2
69.03411	0.6
70.06583	0.2
71.01337	0.5
71.04968	0.1
77.76793	0.1
81.03401	2.9
85.02883	0.6
92.08698	0.2
93.03387	0.5
96.59689	0.1
97.02873	1.9
99.04433	0.3
107.01319	0.2
109.02884	1.4
111.04417	1.9
127.03885	2.7
137.02327	100.0
137.03377	6.9
138.02684	0.6
155.03380	2.1
163.03899	0.2
173.84953	0.1
181.75061	0.1
194.68103	0.1
281.06546	0.8
299.07565	2.4
334.91257	0.2
429.21194	1.6
448.35428	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	429.261
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.8
76.25918	1.3
78.74419	1.2
81.07015	2.7
90.96045	1.2
99.97730	1.6
105.07036	1.3
106.15145	1.1
111.22245	1.7
165.09076	2.0
185.80031	1.2
211.02834	1.2
215.68649	1.3
253.81099	1.3
292.55368	1.2
315.19199	6.9
316.16537	1.3
325.32672	2.0
429.25946	100.0
429.31726	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	429.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81038	2.0
52.25455	2.0
52.52585	1.8
56.96371	2.1
56.96562	35.4
68.23359	2.4
69.03434	2.5
69.03837	2.4
81.03401	4.0
84.96016	17.8
85.02880	3.4
91.05428	3.3
97.02877	3.0
98.97557	100.0
109.02901	2.6
110.97527	23.5
111.04443	2.8
112.99110	2.9
116.98592	68.2
127.03831	2.9
127.19219	2.6
128.98592	39.2
131.00087	3.4
134.99655	38.1
136.06105	3.8
137.02371	5.8
143.00160	13.1
146.99638	44.3
147.04369	2.8
149.01198	4.9
158.64565	2.7
158.99657	11.9
161.01219	23.3
162.99113	3.9
163.03893	3.2
165.00681	9.2
170.99637	12.0
173.31453	2.4
177.00655	16.8
179.02281	6.0
184.00426	3.5
189.00682	13.4
192.27895	2.7
201.00713	3.9
219.01768	47.3
227.99516	3.4
237.02760	98.0
243.01729	42.3
246.00517	3.5
255.04010	3.8
260.04279	3.2
261.02756	55.5
279.03781	4.0
285.02737	4.4
321.02756	6.1
369.04868	26.7
380.54391	2.3
387.05905	51.3
390.64581	2.7
429.06772	37.5
429.20795	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	428.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.9
53.03932	2.7
55.01868	15.0
55.05506	23.0
57.03434	24.5
57.07047	4.2
62.39867	2.6
67.05492	49.4
69.07050	17.7
71.00316	2.8
71.04988	25.4
71.08617	45.0
74.85826	2.7
79.05479	67.4
81.03408	3.1
81.07041	44.3
83.04971	17.1
83.08649	4.0
85.06551	4.1
91.04895	4.2
91.05461	100.0
93.07023	41.0
95.04948	15.2
95.08585	20.4
95.65307	3.0
97.06518	6.4
99.08080	19.2
105.07021	62.7
107.04962	5.6
107.08582	18.0
109.06535	3.8
112.28985	3.2
115.05431	12.3
117.07003	94.4
119.08548	33.7
121.06503	5.9
121.10135	13.1
123.08047	5.7
128.06201	20.2
129.05495	4.7
129.06992	65.6
130.07785	4.1
131.08537	65.9
133.10124	12.1
135.08041	11.8
135.11752	5.0
139.11189	5.9
141.06985	48.9
141.12744	5.5
142.07787	5.0
143.08536	45.7
145.06480	5.5
145.10132	29.9
147.08035	6.4
149.09610	5.9
153.06970	5.3
154.07779	6.0
155.08533	42.8
157.10136	28.8
159.08034	6.3
159.11629	21.6
161.09592	7.6
165.06938	5.6
167.08539	7.1
168.09251	3.9
169.10100	39.3
171.11694	13.8
173.13280	6.7
175.14867	3.6
177.09149	3.9
181.10098	7.2
183.11633	15.1
185.13173	21.1
187.11200	13.2
193.05003	3.7
195.11661	3.6
199.47000	3.1
201.12685	5.0
203.14334	5.8
209.13354	4.3
238.00795	3.3
242.13034	3.4
265.19525	4.3
283.20593	6.0
293.17474	15.3
301.21719	5.5
375.25262	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	428.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28696	0.9
53.03939	11.2
55.01864	14.9
56.25850	1.1
57.03434	7.9
61.02914	9.3
67.83218	1.1
68.99763	5.3
69.03418	42.1
71.04970	6.8
72.02193	1.1
73.02906	11.2
75.75384	1.0
78.06123	1.0
81.03403	41.0
81.07020	1.7
85.02892	100.0
87.00319	2.1
87.00816	47.6
87.04436	1.3
91.03924	4.6
94.11899	1.0
97.02876	39.4
98.97549	1.3
99.04437	17.6
99.08072	5.1
102.62375	1.2
105.01157	2.0
105.01854	37.4
108.04477	4.7
109.02863	39.2
111.04425	2.2
115.03921	2.1
116.39249	1.1
116.98544	1.2
117.01826	4.5
117.09130	12.8
123.04399	1.1
126.05422	1.3
127.03884	53.5
127.07534	1.5
129.01799	5.1
135.04337	1.3
136.06256	1.3
137.02328	1.7
138.77756	1.1
145.04933	19.0
159.02866	18.1
161.06047	1.1
163.03880	4.7
163.09674	2.0
165.80943	1.1
213.03877	1.6
224.04674	1.8
231.04945	13.6
242.03886	1.3
248.07466	2.0
249.06143	1.2
253.10844	1.6
323.94736	1.3
347.13385	1.6
393.13797	1.7
428.19745	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	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	1.1
81.03411	0.3
85.02894	0.5
86.09694	100.0
87.04457	0.3
97.48924	0.2
99.04419	0.9
103.03922	1.3
103.91990	0.2
117.05476	0.4
127.03948	0.5
132.10185	43.7
136.06195	1.5
159.06499	0.3
217.23334	0.2
220.71771	0.2
279.10849	0.4
384.72433	0.2
430.36246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66984	3.9
53.03930	4.1
55.01868	9.4
55.05502	39.9
67.05484	41.6
69.07063	20.7
74.55703	3.7
76.16873	4.0
79.05473	41.3
81.03405	4.5
81.07018	39.1
83.04969	5.4
83.08613	31.1
91.05466	53.5
93.07023	45.4
95.04956	39.4
95.08601	28.2
97.06527	5.5
97.10214	4.6
101.02409	6.7
105.07003	45.0
107.08599	29.7
109.10152	8.8
116.06145	5.2
117.07010	23.8
119.08555	44.6
121.06467	7.5
121.10117	18.7
121.62475	4.4
123.08055	4.8
129.06995	9.9
131.08549	21.0
133.10127	31.0
135.11674	5.5
137.09599	5.5
143.08565	6.2
145.10069	32.0
147.11665	8.9
149.09575	38.0
155.08661	4.3
156.64983	4.6
159.11731	9.1
163.11186	28.4
173.09599	4.9
216.71976	4.9
223.13344	21.0
237.38506	5.0
239.18001	8.2
257.18973	9.7
266.93295	6.0
275.20004	100.0
293.20996	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	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01864	7.4
55.05505	3.2
57.03417	11.2
59.04987	7.6
61.02921	3.9
63.82893	1.4
65.03937	1.7
69.03415	27.5
71.04971	12.6
73.02902	9.6
75.04449	3.7
79.05482	1.9
80.74199	1.6
81.03404	32.9
83.04984	2.9
85.02892	80.5
85.06534	10.5
87.00815	29.9
87.57005	1.8
91.05469	8.5
93.03389	2.1
93.07035	1.9
97.02877	30.1
99.04440	10.3
101.05985	4.0
102.33557	1.7
103.05450	2.5
105.01833	24.9
105.07018	2.7
107.04984	1.8
109.02874	24.3
111.04440	9.1
117.09126	10.0
119.04945	14.9
121.06472	3.3
122.03644	3.2
125.02367	1.7
125.06005	2.2
127.03895	41.3
127.07510	10.5
131.04945	3.0
133.06499	3.3
135.04376	3.4
136.06177	3.7
137.02330	7.9
137.05956	100.0
145.04897	14.4
145.08589	3.4
147.04419	24.4
149.06004	7.2
153.05450	3.4
159.02890	10.8
161.05968	30.1
162.06750	8.5
163.03877	10.8
163.09688	4.0
175.07565	9.4
179.03275	1.8
179.07054	2.5
180.06311	3.6
191.07208	2.5
203.06990	16.0
207.08115	1.9
213.03970	2.3
216.09274	1.7
221.08083	7.5
231.04944	11.2
249.06017	3.3
298.92441	1.8
309.11212	3.2
345.13293	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91417	0.5
55.05506	14.8
57.07067	7.8
65.75871	0.5
67.05482	6.4
68.15567	0.5
69.07052	17.0
71.08627	3.0
72.51846	0.5
79.05474	1.3
81.07040	9.1
83.08603	15.8
85.10149	0.7
91.05461	1.4
93.07030	4.9
95.08582	7.4
97.10146	4.2
97.52682	0.7
105.07005	2.6
107.08569	4.3
109.10135	7.1
111.11684	1.1
119.08571	4.3
121.10122	3.2
122.07224	1.1
123.11715	1.2
125.05904	0.8
125.13236	0.7
131.08624	0.7
133.10112	1.4
135.08028	4.4
135.11687	1.1
137.09589	14.7
145.10114	1.2
149.09628	8.0
149.13245	2.8
151.07494	1.0
159.08151	0.7
161.09596	1.2
163.07542	2.8
163.11118	3.9
165.09079	100.0
172.08809	0.7
173.09666	1.3
175.07555	1.5
175.11205	1.0
177.09125	5.4
177.12581	0.8
179.10628	0.9
187.11148	2.5
189.09074	2.8
190.09941	0.7
191.10669	3.8
201.12762	0.8
203.10629	4.2
205.12173	8.6
217.12196	0.9
219.13805	1.1
231.13672	0.9
233.15421	2.6
299.04062	0.7
338.46017	0.6
343.45837	0.6
348.46619	0.7
413.93875	0.7
427.35880	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58283	0.5
53.00310	0.9
54.51614	0.5
55.05258	1.3
55.05507	18.6
55.77792	0.5
57.07068	8.1
59.78028	0.6
67.05489	8.8
69.07056	53.5
71.08622	2.8
77.66320	0.6
79.05470	1.3
80.50398	0.6
81.07046	12.2
83.08609	13.6
85.10181	1.0
91.05467	2.9
93.06995	5.0
95.08584	11.8
97.10152	5.3
105.07046	2.5
107.08578	5.6
109.10139	10.2
111.11749	1.4
117.07037	0.8
119.08562	7.5
121.10137	4.1
122.07303	1.2
123.08083	1.3
123.11699	1.4
131.08554	1.3
133.10141	1.5
135.07996	5.5
135.11613	1.3
137.09607	17.7
139.07491	1.2
145.10127	1.6
147.11639	1.3
149.09599	15.4
149.13300	1.5
150.22337	0.9
151.07468	1.0
159.11636	0.8
160.08791	1.3
162.06755	1.0
163.07478	1.3
163.11157	9.0
165.09085	100.0
173.09633	1.1
175.11171	4.0
176.08269	0.9
176.61815	0.9
177.09045	8.3
187.11142	1.5
189.09120	4.1
189.12779	1.2
190.09921	1.5
191.10629	9.0
201.12749	2.7
203.10603	7.8
203.14305	1.1
205.12236	9.8
219.13806	1.2
289.21500	1.2
345.27731	1.1
427.30942	0.9
427.35773	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	427.1599
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
53.03926	0.5
53.16862	0.3
53.67211	0.3
55.01868	0.8
55.05492	1.3
55.38375	0.3
57.07070	3.1
63.02324	0.3
67.05508	3.6
69.03400	2.1
69.85437	0.4
79.05470	1.9
81.03404	8.4
81.07040	1.5
83.04971	2.1
83.08595	0.4
85.02899	3.7
85.03337	0.4
85.06530	30.4
89.03901	8.7
91.05462	0.4
93.07022	0.8
93.34785	0.3
95.04987	0.4
97.02870	3.5
99.04464	0.8
104.91680	0.4
105.06982	0.4
107.04955	3.3
109.02857	5.7
109.10145	0.8
111.04448	0.4
115.00162	0.4
117.03360	11.3
118.06496	0.4
118.09608	0.3
119.08592	0.6
123.08035	0.6
127.03870	3.8
135.04396	27.8
143.10637	0.4
145.01680	0.7
145.02831	19.2
147.04413	0.8
147.77983	0.3
148.57645	0.4
162.05452	0.4
163.03879	100.0
164.04193	0.5
183.10014	0.4
211.09589	2.3
229.14342	0.5
250.85231	0.4
265.07056	0.5
275.83804	0.4
279.66052	0.4
391.13849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62794	0.1
53.93077	0.1
55.05495	0.9
56.96584	0.2
57.04544	0.2
63.58825	0.1
63.82450	0.1
69.03415	0.4
69.94628	0.1
73.02837	0.2
75.85623	0.2
81.03386	0.4
83.04957	0.4
85.02879	0.8
87.04464	0.2
91.05418	0.2
92.08657	0.2
94.04029	1.3
96.40640	0.2
97.02888	0.7
97.06473	0.2
97.10140	0.3
104.94288	0.2
105.07044	0.3
109.02876	0.2
111.04427	1.9
112.05043	0.2
115.11155	0.2
117.89308	0.2
119.04992	0.4
119.13594	0.2
123.04436	0.4
123.06635	0.8
125.06023	0.2
133.05103	0.3
134.59308	0.2
135.04451	0.2
137.02315	4.4
137.03340	0.2
137.05966	0.4
138.06290	0.3
139.03896	0.4
147.04367	0.9
150.07735	100.0
153.05475	0.4
161.05949	0.3
162.06633	0.3
163.03835	0.7
163.82365	0.2
176.05612	0.2
195.06454	0.2
203.03494	0.2
217.05109	0.2
240.06952	0.2
282.11926	0.9
287.05264	0.2
295.11459	13.8
355.11234	0.2
356.12079	0.3
373.12976	0.2
374.12943	0.6
427.19547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54250	1.3
55.01841	1.7
55.05509	43.0
57.03429	22.8
57.07064	21.3
60.01375	1.5
67.05501	9.9
69.07054	49.5
71.08607	8.7
71.49283	1.6
72.83462	1.5
75.04448	1.9
79.05465	7.0
80.61835	1.6
81.07035	14.0
83.08602	46.0
85.10158	2.4
90.89242	1.6
91.42210	1.8
93.07032	7.4
95.08600	11.6
97.06506	2.5
97.10146	30.9
98.98450	100.0
107.08587	7.7
109.63066	1.6
111.11703	6.9
116.99451	2.0
121.10098	8.8
128.50548	1.8
135.11647	3.4
137.13287	2.0
146.27028	1.6
149.13152	3.4
152.01706	1.8
155.01035	42.9
173.02145	6.9
205.14011	1.8
219.21082	3.4
237.22131	17.6
252.53773	1.9
311.25748	86.7
391.22330	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.2
53.03931	1.1
54.00240	0.2
55.01858	0.4
55.05508	0.3
57.03423	0.4
65.03902	0.2
67.05473	0.3
68.48350	0.2
68.99773	0.4
69.03423	3.0
70.06556	0.2
71.04977	0.4
73.02896	0.2
77.56782	0.1
81.03397	3.5
85.02420	0.3
85.02890	4.3
87.00798	2.0
87.70465	0.2
89.03916	0.2
91.05463	0.2
92.08665	0.2
95.04931	0.2
97.02879	2.9
99.04414	0.8
100.34255	0.2
105.01839	0.3
105.03368	0.2
109.02871	2.6
111.04427	1.1
117.01831	0.3
117.03394	0.4
119.04836	0.3
123.04410	11.3
125.02335	0.6
127.03896	2.4
133.02841	10.6
133.10144	0.3
135.04420	2.6
137.02332	19.9
137.03381	1.5
137.05956	0.3
141.06924	0.2
145.04944	0.7
151.03889	5.6
153.05472	0.4
155.03395	0.3
159.02843	1.0
161.05922	0.8
162.06493	0.2
163.03897	0.3
165.48831	0.2
169.06497	0.2
174.34447	0.2
179.03368	100.0
180.03728	0.3
200.04791	0.2
215.07069	0.3
216.73822	0.2
231.04955	0.4
235.97607	0.2
261.82617	0.2
265.10471	0.2
414.88248	0.2
427.12064	0.9
427.19110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16531	1.2
51.92486	1.2
53.03939	6.2
55.01863	8.2
55.05508	15.6
56.84305	1.3
57.03428	7.5
57.07069	2.0
59.04990	18.6
61.02909	3.4
64.62312	1.2
67.05494	6.3
68.99775	2.6
69.03413	31.5
69.07053	6.3
71.01345	1.8
71.04961	1.7
73.02895	9.0
79.05467	3.0
81.03394	17.6
81.07050	2.5
83.08604	100.0
85.02893	50.6
85.03270	1.4
87.00812	24.6
87.04454	20.7
91.05480	1.7
91.56647	1.3
97.02876	32.2
97.06524	7.8
97.10148	45.7
99.04436	8.2
101.09664	1.7
105.01866	21.8
105.05489	11.8
107.08576	2.6
107.68432	1.3
109.02858	16.5
109.10153	6.7
111.38762	1.6
111.63487	1.3
119.08575	1.5
125.09605	15.3
127.03899	26.6
135.04396	2.1
135.64880	1.5
143.10661	72.1
145.04913	10.9
147.04395	8.8
148.04694	1.9
159.02837	3.4
161.05908	2.8
163.03896	18.9
164.04266	2.7
164.07068	2.1
189.09123	6.4
198.05040	1.4
215.07051	6.4
215.10832	1.3
219.95909	1.7
223.07837	1.4
226.06453	1.7
229.14296	5.3
231.04956	3.4
241.08522	2.0
249.05980	2.4
259.09665	9.3
280.09976	3.2
308.67038	1.6
309.89340	1.6
441.22397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02372	1.0
51.63625	1.0
55.05507	11.3
57.07059	3.0
66.37029	1.1
67.05491	19.1
69.07045	18.6
79.05461	10.1
81.07037	47.5
81.88952	1.1
81.94559	1.2
83.08599	8.9
89.06014	2.0
91.05458	10.4
93.07027	36.6
95.04960	2.6
95.08586	100.0
97.10165	3.1
97.50702	1.3
99.56367	1.2
105.07018	22.4
107.08583	48.1
109.06511	1.4
109.10130	44.9
111.08074	1.9
117.85252	1.3
119.08562	26.9
121.10126	40.5
122.10411	1.8
123.11681	28.7
131.08565	7.0
133.10092	19.5
135.11676	44.2
137.13226	15.7
139.11124	2.4
145.10117	6.6
147.11682	18.2
149.09724	1.8
149.13222	23.0
151.11160	5.8
151.14856	1.5
159.11711	9.4
161.13173	14.9
163.14781	22.2
173.13295	2.3
175.14786	19.3
177.16367	6.3
187.14848	2.7
189.16371	3.0
191.17915	18.2
193.15833	9.7
195.17509	1.6
201.16388	2.1
203.17975	3.0
217.19511	2.2
229.19467	2.0
231.21092	10.6
233.19055	2.7
259.24182	8.5
271.24066	1.6
273.25696	1.3
285.25754	5.5
287.23694	5.1
301.25272	2.7
367.33362	1.9
407.36942	4.6
425.37677	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	426.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.00763	1.3
55.01869	2.8
60.13652	1.7
64.00525	1.3
65.03944	2.0
65.70708	1.5
69.03429	1.9
70.86395	1.5
72.25729	1.8
75.03243	1.4
79.05504	2.5
85.02888	6.3
87.00830	2.4
91.05468	26.6
93.03381	11.7
95.04953	6.7
102.04694	2.6
103.05442	6.9
105.07029	15.2
107.04946	4.2
109.06490	3.2
110.03647	11.3
111.04446	17.9
114.33982	1.9
115.05444	3.7
119.04929	36.1
121.06480	13.8
122.03644	2.2
123.04421	3.4
124.25963	1.7
125.05971	34.8
125.09621	2.2
130.04099	8.3
131.04898	8.0
133.06480	12.7
134.03622	3.0
134.28140	1.9
135.04416	3.7
137.02324	4.0
137.05960	100.0
143.04909	6.2
147.04398	47.7
149.05995	28.6
150.06706	10.9
150.07755	33.3
151.03888	16.8
151.07536	12.6
153.05460	66.0
153.06941	8.0
161.05960	43.6
161.07202	2.9
162.06741	39.1
163.03815	2.6
163.07555	2.3
165.07008	7.3
175.07465	12.1
179.07004	12.1
179.08505	5.1
181.06470	24.0
193.06494	10.2
193.15877	2.6
194.07179	2.3
195.06514	26.4
195.08092	3.1
197.09537	2.2
207.06360	2.4
207.08115	6.6
209.05974	6.9
210.06760	4.1
213.09047	13.0
219.08051	7.0
220.08853	2.2
221.05890	13.4
222.06685	1.8
223.07478	2.2
224.08501	2.2
225.09059	17.7
229.17989	2.2
234.06833	2.2
235.07509	3.9
236.08380	2.8
238.06160	3.2
239.10629	4.1
241.08578	14.9
247.07330	2.3
247.18935	2.1
249.09279	3.2
251.07050	3.1
253.08559	38.6
265.08545	6.8
267.10086	2.1
273.11215	8.0
277.08368	2.2
279.10068	7.2
281.08072	21.2
283.09586	3.6
284.10413	2.7
285.11185	23.9
294.08630	1.9
295.09167	4.6
296.10318	3.0
299.12787	7.7
301.10504	3.6
307.09674	7.8
310.11963	7.9
311.12842	6.5
313.10660	22.1
323.09119	2.3
325.10703	9.2
341.10336	23.0
343.11658	21.9
355.11655	46.7
373.12732	91.5
402.77094	2.0
434.52979	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	425.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54407	1.0
56.96285	1.5
56.96560	32.1
60.14447	1.2
67.05472	1.9
81.07050	1.8
92.09323	1.4
93.07008	1.6
105.06970	2.5
112.38216	1.3
120.88887	1.3
128.98573	2.8
133.01707	2.2
136.00423	1.4
146.99625	3.1
147.03284	7.9
147.04367	1.7
155.03790	2.4
159.03253	2.8
171.03276	6.0
173.04874	6.9
185.04811	3.5
187.02711	1.8
189.04359	6.0
191.05835	2.7
199.06490	5.9
201.07951	6.0
203.05859	3.2
204.03008	1.6
213.07787	1.9
217.07492	7.5
219.09052	2.6
229.10976	2.0
237.07899	7.8
239.09590	2.9
243.09047	9.2
255.08998	100.0
257.10486	3.2
261.10065	5.1
267.09293	2.3
273.10049	84.9
274.10464	1.8
283.08463	7.1
295.08282	2.5
301.09537	2.5
329.14157	9.2
347.15231	19.3
365.16284	46.2
383.17416	41.9
406.18924	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	425.2143
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
50.25385	1.0
54.81392	1.2
65.12514	1.3
66.65728	1.3
67.05449	1.2
69.07021	1.3
80.82130	1.2
81.07054	1.5
87.74910	1.3
125.77650	1.3
137.02312	1.4
141.32581	1.3
141.96043	1.3
425.21310	100.0
443.03131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.96469	1.5
54.33508	1.9
55.05493	2.6
57.07062	1.7
65.84948	1.9
67.05476	3.7
69.07051	6.8
79.05496	1.6
81.07056	12.7
81.64642	1.8
83.04974	1.8
83.08620	1.6
89.06003	9.8
93.07027	8.1
95.08585	26.8
97.10141	3.1
98.06393	1.5
105.07011	3.0
107.08583	12.6
109.10137	10.3
109.95375	1.7
110.33499	1.5
117.07033	1.6
119.08573	2.3
121.06419	2.3
121.10138	17.2
123.11671	7.9
133.10091	3.6
133.65691	1.8
135.11670	10.2
136.41325	1.8
137.13219	2.4
145.10150	1.9
149.05977	6.7
149.13214	9.9
154.36247	1.9
159.11693	6.4
163.14763	7.9
173.13184	2.1
177.12703	2.9
191.14246	1.7
191.17958	2.6
194.37495	1.7
201.12781	1.9
203.14342	1.9
205.12206	13.5
205.19431	11.3
219.13792	2.3
239.14879	4.0
354.32394	1.9
355.26312	3.2
407.32965	2.3
425.33987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.6
53.03940	0.8
54.81589	0.4
55.01870	0.7
55.05506	15.3
56.63464	0.4
57.03432	0.9
57.07067	7.5
61.67986	0.4
63.02341	0.5
65.03918	0.6
67.05493	16.3
68.52197	0.5
69.03421	13.1
69.07055	0.7
70.03751	0.5
71.04980	4.4
79.05484	0.6
81.03397	2.5
81.07033	1.3
83.04967	78.4
85.02869	4.5
85.06531	14.7
89.03904	6.3
91.05463	2.7
93.07024	1.1
95.01313	0.5
95.08585	0.8
97.02868	8.5
99.04398	0.6
101.05984	3.9
104.74023	0.5
105.07027	0.6
105.81309	0.5
107.04941	2.8
109.02872	0.5
111.04439	2.4
115.03938	2.2
116.01707	0.8
117.03372	9.3
119.04894	4.5
119.08536	0.5
121.10132	1.0
123.11698	0.6
126.00085	1.1
133.10072	0.6
135.04396	19.7
141.09152	0.5
143.03316	0.6
143.04901	1.1
145.02840	14.0
147.04399	20.5
147.25996	0.5
149.09618	7.1
150.09926	2.2
159.11618	0.7
161.05960	5.1
163.03879	100.0
164.04250	1.0
165.04318	0.6
174.24432	0.5
191.14270	0.8
209.15405	1.2
210.15601	0.6
245.08073	2.1
295.08090	3.5
323.07385	1.2
325.09171	0.8
341.08328	0.8
372.01743	0.7
394.91479	0.6
407.13275	2.0
425.09308	0.7
425.14362	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	425.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72742	1.6
54.81773	2.0
55.05500	4.1
56.96555	8.7
61.73683	1.5
62.30096	1.4
69.03424	2.0
69.07030	1.8
70.11092	1.5
71.04984	1.8
71.41521	1.7
76.67241	1.7
81.03387	3.4
81.07048	2.1
83.04977	3.6
83.08617	3.1
85.02898	9.5
91.05424	2.8
92.08664	1.9
93.07021	8.0
95.04411	1.6
95.04932	16.9
97.02861	11.4
97.06512	8.0
98.97581	7.2
99.04395	1.8
101.00867	3.9
107.08610	3.4
108.81627	1.7
109.02898	2.0
109.06512	9.2
109.10150	2.2
113.05997	2.0
115.07533	8.4
116.98609	7.2
118.74117	1.7
119.01894	27.6
119.04921	3.7
119.08609	2.5
121.10132	7.8
122.10459	1.6
125.09634	2.2
127.03882	1.9
131.01843	12.2
133.10100	10.1
135.04393	8.7
135.08029	2.1
137.02950	3.5
145.01772	1.8
145.03455	13.5
146.99594	2.8
147.04379	10.3
147.11641	2.3
147.22440	1.8
151.11186	3.5
153.09102	2.0
155.01872	9.7
157.03430	3.2
161.02950	12.9
163.03851	75.5
163.14868	2.8
167.14268	4.0
173.02890	13.0
173.13222	4.2
185.02921	2.5
193.03445	3.4
195.04976	4.2
197.02919	2.6
203.01959	2.3
203.03960	3.1
209.02916	3.7
209.15314	20.0
210.15800	3.5
213.06104	3.2
219.01680	1.8
221.02940	100.0
221.04884	5.8
227.16376	8.6
237.02837	7.6
238.03101	2.1
239.02097	3.2
239.04024	38.8
245.02803	2.8
245.05103	3.5
247.04462	8.7
257.03152	3.6
257.05154	27.7
259.04550	3.1
263.03873	13.5
263.06396	2.2
271.04404	6.7
277.05396	4.0
281.05087	13.7
283.06500	2.3
289.05426	2.6
295.06671	3.8
299.03912	4.3
305.04999	3.3
307.06549	9.0
317.04941	23.2
323.05963	2.4
335.06082	7.9
347.05710	3.2
365.07117	73.2
383.08157	59.1
425.07980	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	425.075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	69.2
61.06398	3.9
64.03872	3.9
64.04856	4.3
64.13518	4.4
69.03426	5.7
81.03393	4.6
84.95998	10.0
85.02866	5.5
85.85694	4.7
97.02868	6.5
98.97562	100.0
105.06993	5.3
110.97596	9.3
116.98598	89.1
119.08540	4.7
119.80131	3.8
128.98596	34.1
134.99669	46.9
135.04433	5.3
143.00159	21.5
146.99617	30.7
147.04382	6.3
148.89522	4.1
161.01202	29.5
162.99059	4.4
163.03874	26.7
170.99620	7.8
177.00627	9.4
179.02245	16.7
189.00708	6.3
190.54216	4.3
201.00687	7.4
213.04373	16.3
219.01740	32.8
221.02884	28.9
221.04855	5.0
237.02721	55.7
239.02069	37.9
257.03238	61.6
365.06989	7.4
383.07053	19.3
425.07205	52.4
443.08603	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	424.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01866	9.4
55.05506	32.8
57.07065	8.8
59.61097	1.3
64.75773	1.4
66.18800	1.3
67.05492	39.5
68.01581	1.5
68.94484	1.8
69.07051	18.0
71.05004	2.0
71.08607	2.2
73.06528	2.0
79.05478	36.9
80.48563	1.5
81.03408	11.4
81.07045	35.8
83.04980	10.8
83.08600	17.3
89.06012	100.0
91.05468	36.8
93.07021	36.2
93.07553	1.7
95.04950	42.6
95.08582	26.6
97.06512	7.8
97.10160	7.7
105.07012	50.4
107.04955	17.3
107.07032	2.1
107.08579	23.0
109.06557	5.5
109.10158	10.0
111.08038	1.7
112.08010	1.4
117.06993	18.9
119.08562	36.4
121.06494	6.8
121.10113	17.8
123.08069	3.6
125.09608	3.4
129.07045	3.1
131.08549	19.5
133.08594	29.7
133.10104	26.4
135.08023	3.4
135.11705	6.5
137.09625	5.7
141.06981	2.4
143.08580	3.0
145.06520	3.1
145.10101	22.5
147.08087	6.6
147.11667	15.8
149.09615	27.9
151.09682	3.3
151.11198	5.9
155.08545	2.5
157.10098	5.4
159.11665	11.2
160.04628	1.6
161.13216	3.4
163.11145	32.9
165.12759	2.3
169.10072	6.4
171.11635	2.8
173.09624	6.5
173.13206	2.5
175.11191	2.5
177.11201	5.9
177.12666	2.0
183.11626	2.2
187.11081	1.5
195.12296	1.5
197.13232	1.8
197.36490	1.4
205.12331	1.9
213.16476	1.5
223.13260	15.6
236.92093	1.5
239.14864	71.9
239.17915	10.4
257.19058	12.8
262.89410	1.6
268.67429	1.8
275.17032	3.1
275.20004	87.7
293.21118	27.3
389.93808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
53.14836	1.7
54.81849	2.6
55.01862	3.5
55.05514	16.7
57.03422	5.0
57.07059	16.0
57.19755	1.8
57.35627	2.0
59.04968	2.6
61.02905	2.5
66.65145	2.1
67.05490	13.2
69.03429	5.1
69.06712	4.0
69.07059	75.3
71.04969	23.3
71.08614	15.5
73.02887	3.4
79.05474	10.4
81.03413	9.2
81.07043	50.8
83.04955	4.1
83.08612	29.5
85.02897	100.0
85.06531	13.9
87.00815	12.7
91.05466	3.6
92.64224	2.3
93.07027	22.9
95.08582	26.5
97.02887	10.1
97.06512	20.3
97.10163	3.7
99.04446	16.9
99.08066	12.6
101.02354	2.8
103.03961	3.0
105.07015	17.3
107.08594	29.5
109.02845	4.5
109.06534	10.1
109.10143	8.9
111.08071	14.5
113.06010	3.5
119.08582	10.0
121.10173	28.2
123.08039	9.4
123.11689	53.3
127.03841	8.9
127.07561	12.3
129.06827	2.5
137.13249	3.4
141.09074	2.7
141.12726	70.4
143.08670	2.2
143.14319	14.0
147.11678	50.3
149.13252	41.4
155.14311	12.8
159.13792	12.1
163.03813	4.5
165.12714	31.4
167.14272	23.4
183.13795	87.7
185.15359	4.9
196.42731	2.2
201.13106	4.4
201.14844	63.2
209.15413	5.2
227.16417	35.8
229.68947	2.4
371.92197	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05508	29.0
57.03424	1.2
57.07064	1.7
59.05004	1.2
66.62949	1.1
67.05499	4.8
67.81763	0.9
69.03421	6.5
69.07066	9.9
69.09534	0.9
71.04993	2.2
72.84384	1.0
74.84672	0.9
79.05489	6.2
81.07047	9.7
83.04976	15.3
83.08608	25.3
85.02904	7.2
85.06541	5.7
91.05466	2.6
93.07032	22.0
95.04957	18.4
95.08588	9.2
97.02881	4.1
97.06511	8.5
97.10165	6.0
99.04457	6.5
99.08096	1.6
105.07026	9.1
107.08582	37.4
109.06516	11.4
109.10153	17.4
111.08058	11.0
115.07539	10.1
119.08578	7.3
121.10130	75.6
123.08065	2.5
123.11686	7.3
125.09618	9.1
131.08577	4.7
133.10114	15.6
135.08078	4.2
135.11684	5.1
144.09309	1.2
145.10112	1.4
147.11685	6.0
149.13271	6.0
151.11183	27.8
153.09113	5.6
161.82121	1.2
163.14804	16.8
167.14290	25.0
173.13251	15.9
175.14723	2.3
176.53316	1.1
191.14299	15.3
209.15353	100.0
227.16385	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90208	0.7
53.03934	1.4
55.01856	1.1
55.05509	15.4
57.03435	6.9
57.07062	3.5
59.05010	0.8
61.02929	1.4
67.05492	4.6
69.03418	9.5
69.06708	1.4
69.07056	24.7
71.04980	8.4
79.05478	9.6
81.03391	6.4
81.07040	39.1
83.04970	20.8
83.08596	12.7
85.02895	19.9
85.06526	4.1
87.00841	1.3
90.09174	5.7
91.05457	6.2
92.09382	1.0
93.07018	28.6
95.04950	39.7
95.08585	21.4
97.02868	8.5
97.06522	15.2
97.10130	1.3
99.04446	12.1
99.08065	7.8
102.47579	1.0
105.01828	0.9
105.07026	9.9
107.08582	41.8
109.02870	4.0
109.06502	9.8
109.10139	19.4
111.08065	11.6
113.05931	0.9
113.09626	1.6
113.45995	0.9
115.07568	11.2
117.07023	1.1
119.08550	13.6
121.06482	6.5
121.10120	42.2
123.08035	7.2
123.11707	6.9
125.05902	1.0
125.09606	5.1
127.03898	5.7
127.07502	9.4
131.08568	6.4
133.10103	21.1
133.11029	1.4
135.04344	1.5
135.08034	8.1
135.11668	29.1
137.09587	3.6
139.11140	1.7
141.09074	5.6
145.04968	1.5
145.10112	4.4
147.04366	1.6
147.11649	12.4
148.04764	1.0
149.09592	6.2
149.13239	22.1
151.11172	13.3
153.09117	10.7
153.12775	1.5
155.10709	0.9
158.10870	2.0
159.10133	5.2
161.05945	1.8
163.03857	3.0
163.11108	1.0
163.14784	17.2
165.12729	13.0
167.14264	13.0
173.13197	13.1
175.14455	1.2
191.10562	1.6
191.14290	44.2
209.15341	100.0
227.12964	1.7
227.16385	52.1
237.62424	0.9
294.63885	0.9
323.06195	1.1
371.20496	1.3
433.43863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01859	5.7
55.05509	15.5
57.03415	10.0
57.07073	3.4
61.02921	3.1
67.05495	37.3
69.03410	37.9
69.07054	4.7
71.04980	53.1
73.02915	4.9
78.13530	2.1
79.05478	10.9
81.03394	27.3
81.07040	100.0
83.04973	5.6
83.08601	19.5
85.02894	76.5
85.06522	11.3
87.00816	35.6
87.04491	3.0
91.05455	3.2
93.07013	19.4
95.04957	15.3
95.08591	16.4
97.02879	29.3
99.04447	13.8
99.08085	25.4
105.01832	20.3
105.07012	10.7
107.08587	12.2
109.02879	15.7
109.06515	3.1
109.10170	5.6
112.32423	3.0
119.04848	3.5
119.08611	5.5
120.95844	2.5
121.06473	3.0
121.10132	38.7
123.11681	63.8
127.03890	32.7
133.10208	3.1
135.04372	3.0
135.11697	4.9
141.12727	62.0
145.04974	4.4
145.10091	4.9
147.04376	13.0
159.13779	17.7
163.03893	12.7
163.11122	19.5
181.12239	17.6
191.10710	2.4
209.11761	3.1
209.15346	10.5
227.12735	25.8
227.16377	3.6
409.69666	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	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25143	0.3
69.03419	0.6
69.06712	0.5
69.07053	7.5
81.03382	0.5
82.70521	0.3
84.04484	3.9
85.02895	1.5
86.09693	100.0
98.97546	0.5
102.05505	1.4
109.40006	0.3
130.04991	0.6
132.10185	35.7
148.06013	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	424.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01868	1.4
55.05506	2.2
59.76164	1.0
64.97526	1.3
66.66511	1.1
67.05509	1.7
69.07076	3.9
79.05484	2.1
81.03394	1.6
81.07059	4.1
89.27074	1.0
91.05473	18.6
93.07025	9.9
94.75719	1.1
95.04951	2.4
97.02879	1.1
97.06517	2.3
99.08058	2.4
102.04667	1.1
103.05453	7.6
105.07011	12.7
107.04941	4.8
111.08089	10.1
115.05410	2.4
118.99819	1.1
119.04931	17.3
121.06469	15.0
122.03614	1.9
130.04129	5.1
131.04887	1.3
133.06494	9.8
134.07289	1.3
135.04428	2.7
137.05959	58.4
138.07617	1.1
147.04404	25.2
147.08112	1.5
149.05971	42.0
149.07086	2.2
150.06725	5.9
155.14290	23.4
157.06407	1.9
160.05191	1.3
161.05957	100.0
162.06731	15.7
163.03911	2.2
165.06992	4.5
167.07014	7.3
175.07544	10.3
179.07019	4.8
182.07240	1.1
183.13805	14.5
188.04669	4.9
189.05437	1.1
191.06967	4.7
193.06480	5.8
201.14825	5.7
203.07011	61.6
207.02788	1.6
207.08023	2.1
209.08063	4.5
210.06776	5.6
213.09129	1.3
215.06978	1.5
221.05946	17.4
222.06818	1.6
224.08360	2.1
225.09058	17.7
233.08229	1.5
235.07550	1.8
235.09616	10.3
237.09152	1.9
238.06206	4.2
239.10600	1.7
247.09637	2.6
252.07913	1.9
253.08545	26.7
254.09427	1.3
255.06374	1.5
265.08575	7.5
266.09265	1.8
267.10080	11.3
277.08585	6.6
285.11166	62.3
294.08829	1.2
295.09610	5.8
297.11093	11.5
307.09543	2.1
309.11179	11.6
312.09833	1.6
327.12222	55.8
339.12234	12.5
347.11127	2.3
359.14862	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54308	0.8
53.00313	0.7
53.03936	4.9
53.06641	0.7
55.01859	4.2
55.05506	4.3
57.03427	10.7
57.07074	1.4
59.04990	17.5
59.05262	1.2
61.02918	6.8
67.05495	5.1
68.99788	2.1
69.03415	44.4
69.07047	1.9
71.01330	1.6
71.04975	9.1
72.87099	0.8
73.02892	4.9
76.66283	0.8
78.18779	0.8
79.05475	1.8
81.03404	20.4
81.07039	27.2
82.99872	0.9
83.08605	11.0
85.02892	100.0
85.06506	1.0
86.10748	0.9
87.00812	66.0
92.79636	0.9
95.04966	3.6
95.08577	4.2
97.02869	34.2
97.06518	3.7
99.04423	13.4
101.02364	1.0
105.01851	76.9
106.06562	4.3
109.02865	21.9
117.01852	1.1
118.97953	0.8
123.11684	70.0
127.03896	61.6
129.01830	1.1
141.12727	24.5
141.13744	1.3
145.04929	20.4
147.02893	0.9
147.04454	4.7
159.02850	8.0
159.13773	1.7
160.05165	1.4
161.05962	6.8
163.03864	6.4
185.11058	1.3
189.03883	1.5
189.09096	6.2
195.08093	1.9
213.03893	1.7
213.09100	1.1
215.07014	4.1
224.03888	1.1
227.16437	1.3
231.04955	20.0
245.15829	1.0
249.05965	22.2
259.09576	9.2
284.00916	1.0
350.38766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01855	2.5
55.05514	0.5
57.03425	2.8
61.02919	3.3
65.59045	0.3
67.05505	2.8
68.99769	0.8
69.03415	7.6
71.01326	0.6
71.04982	4.2
73.02901	0.9
75.87419	0.4
79.05454	2.1
81.03403	5.8
81.07047	6.8
82.64381	0.4
83.08582	0.4
85.02891	25.1
85.06504	0.5
87.00802	1.9
87.04477	0.8
89.03880	0.9
91.03959	0.6
92.09306	0.7
95.04939	0.6
95.08574	0.5
97.02869	9.4
99.04433	0.9
99.08077	0.8
105.01830	0.7
106.55076	0.3
107.04941	48.6
107.97414	0.4
109.02869	7.7
111.04443	3.5
117.03355	0.7
121.02834	1.9
123.04408	6.2
123.11666	2.4
127.03886	4.5
128.06189	0.8
129.07005	1.5
131.04901	0.5
133.02844	0.5
135.04399	46.9
135.11725	0.5
136.05203	12.0
137.02335	0.5
137.05983	3.0
141.12679	2.8
143.08510	1.4
145.02867	0.7
145.04926	3.8
146.03165	0.5
147.04431	0.5
152.06158	0.7
153.06987	8.1
157.06483	3.2
159.02776	0.5
159.13866	0.6
161.05934	4.5
163.03889	8.4
164.04239	4.0
169.06447	0.4
171.07991	3.7
173.05927	0.6
174.99480	0.4
177.09088	0.5
181.06454	12.4
184.05237	0.5
185.05948	1.5
197.05782	0.4
198.06628	0.6
199.07518	20.9
203.06929	0.5
209.05879	3.9
215.07008	0.6
225.89676	0.4
227.06984	7.3
245.08044	100.0
246.08459	0.7
267.90854	0.4
340.46472	0.4
444.49179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.3
57.01779	0.3
60.04507	0.7
66.24084	0.3
69.03418	0.4
70.06567	0.4
70.45624	0.3
72.08131	0.5
74.02409	0.3
76.74796	0.3
80.44312	0.3
83.94304	0.3
84.04488	100.0
85.02883	3.0
85.04783	0.3
86.09685	5.4
88.03985	1.5
97.02854	0.5
102.05516	34.1
106.05062	0.4
107.52097	0.3
116.07112	0.6
118.08683	0.4
130.04980	41.6
131.05373	0.4
132.10197	2.2
144.19823	0.3
148.06024	57.1
176.58986	0.4
408.23724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	60.2
57.60471	2.0
58.64081	1.6
59.64409	1.6
63.04498	1.7
64.33189	1.8
67.05482	2.5
71.95255	3.4
73.11948	2.1
76.49651	1.8
77.47774	2.1
81.07054	3.6
85.35993	2.0
105.07061	2.1
107.08577	2.4
116.98660	2.6
128.98596	8.6
146.99615	11.1
147.03136	2.3
170.27129	2.1
171.03262	10.9
185.04842	3.9
187.02852	3.1
189.04355	9.0
199.06375	9.2
203.03780	2.1
203.05878	11.2
211.06433	3.8
217.07413	4.2
223.06290	2.6
229.07440	4.0
231.08900	2.5
239.09518	9.3
255.09052	4.0
257.10562	11.1
265.07227	3.0
273.10132	3.0
274.95404	2.3
283.08447	10.3
301.09518	3.4
305.14175	2.5
326.80557	2.6
329.14029	25.4
347.15216	100.0
365.16248	92.3
375.94669	2.4
383.17377	4.3
397.27890	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	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16937	0.7
52.51067	0.7
53.03936	1.6
55.01861	3.6
55.05494	4.5
57.03428	4.9
57.07052	1.4
61.02908	2.2
67.05496	4.4
68.50279	0.8
68.99772	1.7
69.03407	14.1
69.07070	1.8
71.04975	5.5
73.02899	1.4
74.33888	0.8
75.26127	0.9
79.05465	4.3
81.03397	10.2
81.07030	6.1
83.08588	4.0
85.02888	35.2
85.06544	1.6
87.00809	6.0
87.04444	1.2
89.03906	0.9
93.07034	1.1
95.04905	0.9
95.08565	1.2
97.02868	10.8
97.06518	1.8
97.10113	1.6
99.04431	1.9
105.01846	5.4
107.04937	43.6
107.08572	1.7
109.02866	9.0
111.04459	3.5
111.08080	1.1
117.03307	1.6
121.02822	1.1
123.04369	10.2
123.11683	3.6
125.09546	1.3
127.03887	9.4
129.06987	0.9
131.08543	1.2
135.04390	47.1
136.05205	12.5
137.05904	3.0
141.12727	8.1
144.55827	0.9
145.02840	1.0
145.04973	3.7
146.03130	1.1
153.06972	5.8
157.06441	3.6
159.13733	2.0
161.05954	3.6
163.03877	11.4
164.04242	6.6
171.08022	3.5
181.06450	10.9
185.06018	1.2
186.31592	0.9
199.07480	18.1
203.07002	1.0
209.05956	1.9
227.07010	6.0
227.16364	6.3
245.08032	100.0
328.86230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03011	0.4
56.64518	0.4
58.38266	0.5
62.17616	0.4
63.18679	0.4
64.76258	0.5
69.03419	49.4
71.04982	0.8
79.05510	0.6
81.03403	6.3
83.04968	5.6
85.02890	0.9
89.03555	0.4
89.03915	6.3
95.04948	0.8
97.02876	5.5
99.04451	5.5
107.04935	3.0
110.59909	0.4
115.66567	0.4
117.03363	12.0
119.04968	0.6
127.03912	0.6
135.04399	23.7
144.76303	0.5
145.02853	15.8
147.04382	2.4
163.03880	100.0
183.40720	0.5
243.08682	0.6
244.09308	0.6
251.73453	0.7
253.66118	0.5
325.08997	3.7
346.49454	0.6
405.01843	0.5
423.12549	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	423.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65313	0.6
54.82006	0.8
57.07060	1.9
62.62452	0.7
65.03925	1.1
67.05499	7.2
70.06573	5.6
81.07050	3.8
88.07609	7.2
102.09177	4.3
109.10160	9.5
110.38776	0.8
137.05978	1.6
149.02327	36.8
149.03360	1.9
150.02663	10.0
173.11725	1.9
193.04938	26.2
194.05310	8.6
195.09959	6.2
212.44658	0.9
215.05649	0.8
229.14267	1.5
251.12485	4.9
256.26340	11.0
257.26709	7.9
422.28995	10.6
423.23398	100.0
423.29153	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Glochidone
Peak:m/z	Relative Intensity
57.07048	4.1
65.54002	3.6
66.10842	3.4
67.05511	6.7
69.07049	18.6
76.56564	3.9
79.05470	4.2
81.07061	28.3
91.93762	4.2
93.07017	8.2
95.05646	3.8
95.08572	27.5
98.49300	3.6
103.21015	3.5
105.07019	8.1
107.08578	21.1
109.06501	14.9
109.10149	19.7
109.89014	3.4
111.08064	15.7
119.08591	7.3
121.10117	7.7
133.10092	14.6
135.11687	7.6
137.13225	5.6
145.10126	7.7
147.11736	4.8
149.09647	28.3
149.13242	6.3
159.11632	6.7
161.13354	4.5
163.11237	4.8
191.17847	4.5
209.40979	3.4
217.15913	4.7
217.35461	4.0
231.84511	3.9
405.35132	4.0
423.36157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34966	2.6
65.84969	3.0
67.05511	4.1
69.03405	5.8
69.07043	6.8
79.05474	5.0
83.08627	3.3
83.67104	3.0
85.02834	4.1
90.09166	16.5
95.04890	3.8
97.06496	33.9
98.06857	6.2
101.43483	3.1
127.15707	3.2
135.04356	4.0
135.11656	3.3
163.03920	12.5
163.68169	3.3
164.04179	5.8
173.02344	4.7
175.14415	5.5
188.59547	4.3
205.77150	3.5
213.36238	2.8
215.06990	12.8
216.07402	4.9
236.97774	3.4
259.09586	7.4
260.09860	12.9
261.05136	65.0
261.10019	4.5
277.45724	3.5
387.13916	3.6
423.10504	100.0
439.77621	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	423.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05499	0.6
64.65600	0.7
67.05489	0.8
69.03423	8.9
69.07037	2.6
72.17329	0.7
79.05466	1.0
80.05001	3.3
81.03390	4.3
81.07051	1.0
83.04956	1.0
85.02892	2.9
91.05466	1.3
95.08583	3.3
97.02873	10.5
99.04434	1.0
105.07024	1.2
107.08588	1.4
109.02854	3.4
109.10118	5.4
113.05747	6.9
119.04878	2.3
119.08565	3.1
121.10108	1.4
123.08035	0.8
123.11721	1.0
127.03893	2.8
133.10092	5.2
135.04399	1.0
135.11667	1.7
145.02818	0.8
147.04375	9.8
151.85251	0.7
163.03883	10.2
171.00546	1.4
187.14763	1.0
193.15877	0.8
225.11133	0.7
243.06299	1.1
261.07278	100.0
280.76379	0.7
288.73892	0.7
423.12518	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	423.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01859	0.3
55.05494	1.6
57.03408	0.6
64.33183	0.3
67.05499	1.1
69.03418	58.5
69.07040	0.4
69.44868	0.3
70.03742	0.3
71.04961	0.7
76.35209	0.3
79.05468	1.6
81.03400	5.1
81.07029	2.0
83.04954	2.0
85.02876	3.2
89.03899	5.9
91.05465	1.3
93.07008	2.7
95.04929	0.3
95.08588	2.5
96.08942	0.3
97.02869	4.5
97.06499	0.4
99.04430	7.2
105.07020	6.9
106.07322	0.4
107.04946	2.2
107.08584	3.0
107.41507	0.3
108.08973	0.3
109.02843	0.5
109.06517	0.5
109.10155	2.4
117.03363	9.7
119.04907	0.7
119.08559	9.8
120.08877	1.4
121.10114	3.3
122.10416	0.4
123.08010	0.5
127.03911	0.6
127.67007	0.3
133.10123	1.7
134.10512	0.4
135.04401	23.4
135.11678	0.6
137.09679	1.0
138.09914	0.3
145.01692	0.5
145.02832	15.1
147.04395	1.6
151.07555	0.5
151.14780	0.6
161.11888	0.7
161.13231	15.0
162.13583	5.1
163.03879	100.0
164.04210	0.4
165.09117	0.3
179.14256	4.8
180.14626	1.8
181.04877	0.5
197.15382	1.6
198.15642	0.4
207.13753	2.2
208.14145	1.4
225.14847	6.6
226.15211	2.8
270.07358	0.3
307.08289	0.6
325.09186	4.5
423.12894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89051	0.9
53.03941	16.7
54.17163	1.0
55.01865	15.2
56.29126	1.1
56.40147	1.0
56.96583	1.5
57.03424	12.5
60.06386	1.0
60.06707	1.0
61.02913	1.3
65.03922	2.5
67.01856	11.3
69.03421	17.3
71.04971	6.1
73.02908	2.9
81.03400	36.3
83.01322	1.7
84.04479	1.9
84.95998	1.4
85.02890	69.1
86.28036	1.5
91.05458	1.4
91.43214	1.1
93.03375	1.7
97.02867	20.5
98.97601	1.3
99.04436	30.1
105.07037	2.0
109.02866	94.2
111.04449	11.2
113.02363	18.7
115.50163	1.1
124.65812	1.3
125.05961	7.3
127.03896	100.0
131.03386	56.4
131.04321	2.0
137.05957	15.2
139.03810	1.3
145.04945	7.1
146.06053	1.9
147.04382	4.7
147.08093	1.7
151.03914	7.4
154.02618	1.7
155.03397	1.6
158.99629	1.1
163.03862	2.5
169.04950	12.7
173.04399	6.5
177.03282	2.0
188.07091	2.0
207.06566	2.2
207.13843	1.9
225.07489	2.8
239.02985	1.5
239.05374	16.9
239.07288	1.3
243.08559	5.1
257.06497	62.8
275.07532	14.5
346.09848	1.1
351.07199	1.3
369.08182	12.8
387.09067	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	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.2
55.01866	15.2
55.05497	1.3
56.10762	0.8
57.03427	8.8
57.40936	0.7
60.04507	1.8
61.02927	9.4
68.99765	4.5
69.03418	41.7
71.04977	7.3
73.02901	14.6
81.03403	46.9
82.95213	0.9
85.02892	100.0
87.00816	48.5
87.01360	1.4
91.03931	4.0
97.02254	1.9
97.02872	47.5
98.06004	1.1
99.04441	16.9
105.01847	30.6
108.04469	14.1
109.02871	38.7
109.86078	0.8
115.03941	1.4
117.01820	8.1
126.05503	6.8
127.03899	60.9
129.01817	4.9
145.04967	22.5
147.02834	3.7
159.02873	24.0
213.03949	3.8
230.06631	4.2
231.04930	14.0
248.07657	6.8
249.05977	1.6
252.45132	0.9
266.08609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.4
57.07076	7.5
57.90542	0.5
58.06583	0.7
58.82561	0.4
60.13860	0.5
61.95176	0.4
65.03923	2.9
67.05492	0.6
69.07036	0.4
70.06586	17.1
71.08614	2.6
74.85597	0.5
85.10143	0.4
88.07616	17.4
97.19393	0.4
100.80814	0.5
102.08500	0.6
102.09167	15.1
116.98598	0.7
121.02849	0.8
127.24311	0.5
139.03864	2.4
149.02333	100.0
149.03337	4.2
184.39102	0.5
189.54813	0.4
193.04945	83.5
256.26306	36.3
422.28961	64.0
423.23447	3.2
423.29114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93868	0.4
53.95816	0.3
54.03436	0.4
60.61296	0.4
61.99060	0.4
66.65205	0.4
67.04233	1.6
67.05508	0.4
69.03416	3.1
69.47104	0.4
73.01118	0.5
74.00653	4.1
74.63863	0.4
81.03423	0.6
85.02880	4.8
87.04436	0.7
96.04448	0.5
97.02859	3.5
98.06008	0.5
98.97511	0.6
98.98449	13.0
99.04440	1.0
100.02182	87.2
100.74805	0.4
103.03915	1.7
109.02848	0.6
110.06026	2.0
114.05492	2.7
118.03221	5.5
127.01534	1.7
127.03857	2.2
129.05486	0.6
130.32249	0.4
138.05479	0.4
140.05193	0.4
145.04918	0.5
146.02687	100.0
147.06485	1.6
155.04639	1.8
156.06509	0.8
168.04764	0.4
169.06082	1.9
175.86957	0.4
180.06508	0.8
196.04208	0.7
213.06908	12.2
239.10829	0.4
249.09590	0.6
255.07835	0.6
259.07410	21.2
276.10675	1.4
421.12692	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	421.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	14.0
55.05502	1.4
56.83458	0.5
57.03422	2.7
61.02898	3.4
62.30252	0.6
67.05490	11.8
69.03408	3.9
73.02918	0.6
78.05585	0.6
79.05475	43.0
81.03407	4.0
81.07030	2.5
83.04960	2.4
85.02888	4.5
86.09698	1.3
91.03935	0.8
91.05460	15.8
93.07020	48.9
93.77286	0.6
95.04948	3.4
95.08572	0.9
97.02864	3.4
97.06509	6.9
99.04467	0.8
105.07014	16.1
107.04927	0.9
107.07859	1.4
107.08582	31.7
107.57077	0.5
109.06520	1.0
115.05433	0.7
117.06961	0.6
119.04988	0.6
119.08549	2.9
120.08093	4.9
121.06440	0.7
121.10122	32.1
129.05458	1.1
129.06984	3.0
131.04935	0.9
131.08543	19.8
133.10109	0.7
135.04398	0.9
137.05960	0.9
141.07001	1.1
147.04405	1.3
149.09599	100.0
159.04349	1.1
161.02306	1.0
161.05957	2.8
162.22559	0.7
163.03906	5.3
165.09010	0.8
167.08543	0.9
169.06454	4.8
173.02422	0.7
173.05930	0.9
175.03873	2.2
187.07539	3.2
189.05298	0.9
189.09116	3.4
191.07010	2.8
193.25954	0.6
195.07860	0.7
197.05977	4.6
198.06593	0.6
199.07556	0.9
200.04686	5.0
215.06984	12.8
217.08577	0.9
220.15013	0.7
223.13275	3.7
241.08577	1.2
241.14334	5.9
259.09616	13.9
264.16129	0.7
349.21747	0.7
396.64502	0.7
421.14752	3.6
436.70456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01870	7.6
55.05504	21.7
57.03429	3.5
57.07065	4.9
59.58436	0.8
61.02921	1.4
67.05493	43.1
67.05846	1.7
69.03417	5.1
69.06709	1.6
69.07056	25.8
71.04990	7.6
71.08607	1.7
79.05482	41.3
81.03413	3.3
81.07040	96.1
83.04980	8.5
83.08605	14.4
85.02885	10.1
85.06532	18.4
85.98668	0.9
90.10349	0.8
91.05468	19.7
93.07027	100.0
93.27520	0.9
93.53277	1.2
95.04948	7.2
95.08588	45.9
97.02906	1.3
97.06522	9.3
97.10151	11.0
99.04443	0.9
99.08061	1.7
101.02401	1.0
105.07017	16.3
107.04893	1.1
107.08583	63.1
109.02864	1.0
109.05809	1.4
109.06509	25.1
109.09471	1.6
109.10146	26.1
111.08053	2.1
111.11671	1.0
113.06001	4.9
117.06998	5.8
119.04978	0.8
119.08566	16.2
121.06489	16.2
121.10123	38.9
123.08066	5.7
123.11691	4.5
125.06020	0.9
125.09615	1.8
127.06622	1.7
127.07537	44.0
131.08553	14.3
133.10114	13.6
135.08031	21.2
135.11664	11.4
137.09592	4.1
139.07512	6.5
139.22655	0.8
145.10091	10.8
147.11697	6.4
149.09639	11.4
149.13263	4.4
150.93886	0.9
151.14810	4.5
153.09087	10.2
159.11673	1.9
161.13228	7.7
163.03931	1.8
163.11176	3.5
163.14793	44.0
167.10675	4.4
175.14787	17.4
177.16360	15.2
187.14806	18.5
193.15849	12.0
195.17473	1.6
201.44345	1.0
205.15849	27.3
211.16916	5.5
223.16887	63.7
241.17932	14.5
275.19885	1.0
293.21097	5.6
300.49493	0.9
307.08911	1.0
367.24899	1.6
381.39786	0.9
385.25858	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	421.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82692	0.3
53.00299	0.6
53.03934	1.4
53.97809	0.3
54.81942	0.4
55.01855	1.7
55.05509	0.6
57.03421	1.5
58.60126	0.3
61.02919	0.3
63.02326	0.3
67.05476	0.6
68.74319	0.3
69.03075	0.4
69.03420	10.2
71.01333	0.7
71.04975	1.6
73.02931	0.4
76.65841	0.3
79.05459	2.4
81.03405	6.4
81.07030	0.6
82.07357	0.5
83.04972	0.8
85.02881	2.7
86.03251	0.4
89.03900	9.6
91.00343	0.3
91.05462	1.2
93.07031	1.2
95.04951	0.6
95.08582	0.6
97.02870	12.6
97.06517	0.3
99.04431	1.7
105.04507	0.5
105.07029	0.6
107.04942	4.2
107.08562	0.7
109.02879	2.1
109.06634	0.3
109.10184	0.5
111.04435	0.4
117.03362	13.7
117.06993	0.4
119.08502	0.5
121.06480	0.4
121.10127	0.4
123.04403	3.2
124.25309	0.3
127.03918	2.4
129.09915	0.3
131.08585	0.3
135.04396	31.5
135.11673	1.5
137.02324	1.6
137.09619	0.7
138.02673	0.6
139.03922	0.6
145.01683	0.6
145.02841	16.6
147.04408	1.5
149.06049	0.3
151.03888	0.6
153.12749	1.3
154.13075	0.5
157.06429	0.4
161.09767	0.4
163.03880	100.0
164.04156	0.6
165.01781	2.1
165.05441	0.4
175.03911	0.4
177.01810	0.6
177.12735	1.4
178.12962	0.3
179.03349	1.1
179.10629	0.4
181.04878	0.4
183.02837	2.2
185.20956	0.3
189.32756	0.3
192.67003	0.3
200.04797	0.4
215.07050	0.5
221.04401	0.6
223.13254	1.2
228.34296	0.4
233.04428	0.6
241.14136	0.6
247.94121	0.3
269.06522	1.5
307.08096	0.7
310.87744	0.3
325.09027	2.0
421.10986	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01859	1.5
55.05493	5.6
55.73336	1.1
56.84877	1.0
57.03411	1.1
57.07082	1.6
67.05502	2.8
69.03415	5.3
69.07044	6.1
70.56749	1.1
74.36076	1.1
74.55331	1.1
76.58852	1.0
79.05479	15.3
80.38218	1.1
81.03340	1.0
81.07031	5.7
83.04974	2.2
85.02888	3.0
87.00804	7.1
91.05460	22.6
92.09346	2.8
93.07017	13.9
95.04944	2.4
95.08585	7.3
97.02882	1.9
97.06501	5.7
105.07014	19.0
107.08578	100.0
107.67420	1.2
109.06480	6.4
109.10141	2.6
117.06966	7.0
119.08573	23.3
120.09396	1.9
121.06483	2.2
121.10110	21.2
123.04363	1.4
123.08054	5.4
129.06989	6.0
131.08557	9.6
133.06491	2.8
133.10091	5.6
134.45778	1.4
135.08020	4.9
135.10648	2.9
135.11681	68.8
137.09593	1.5
137.13226	6.8
139.03868	11.3
144.09306	7.0
145.06485	1.6
145.10115	48.8
149.09561	2.8
149.13251	5.3
159.11681	34.5
161.05981	1.9
161.13229	1.8
163.03943	2.7
163.07498	5.3
163.11156	92.6
167.06966	2.8
175.07556	5.1
176.08286	7.0
177.09155	1.6
177.12718	42.8
179.14246	2.0
181.08563	2.0
187.11162	1.7
189.09090	1.6
190.09785	5.7
195.15146	1.3
205.12222	86.2
215.06970	2.4
223.13264	38.9
259.09473	8.8
299.35013	1.5
406.88071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25881	0.3
52.90366	0.3
53.03954	0.4
53.92999	0.3
54.81940	0.3
55.01857	0.4
55.05507	0.9
57.03425	1.8
61.02916	0.6
66.38784	0.3
67.05493	1.3
69.03418	4.8
69.07053	0.7
71.04607	0.3
71.04972	1.8
73.02919	1.4
79.05489	0.7
81.03395	0.6
81.07034	2.1
83.04979	0.5
85.02892	5.6
87.04469	0.5
91.05441	2.7
93.07028	5.7
95.04948	0.8
95.08570	3.2
97.02879	2.6
99.04417	0.6
102.07125	0.4
105.07019	8.8
105.07671	0.6
107.08568	7.2
109.02888	0.6
109.06509	0.6
109.10113	0.9
111.08110	0.4
115.03906	0.7
117.07001	3.7
119.08560	100.0
121.06491	3.5
121.10124	4.8
123.08018	3.1
124.08372	0.3
125.09584	2.8
127.03913	0.8
129.06976	0.4
131.08537	5.7
133.10089	3.7
135.08047	2.2
135.11659	10.6
137.06052	0.4
137.09589	3.8
144.09299	3.3
145.10153	0.6
149.02350	1.9
149.09660	0.4
149.13249	6.5
159.11664	78.8
160.11996	0.5
161.13197	2.6
177.12720	31.2
179.14258	0.4
187.11150	0.3
195.13768	34.8
197.15302	1.7
205.12195	6.3
223.13257	25.1
241.14307	17.0
259.08200	0.6
362.58344	0.4
370.19037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01859	1.5
55.05493	5.6
55.73336	1.1
56.84877	1.0
57.03411	1.1
57.07082	1.6
67.05502	2.8
69.03415	5.3
69.07044	6.1
70.56749	1.1
74.36076	1.1
74.55331	1.1
76.58852	1.0
79.05479	15.3
80.38218	1.1
81.03340	1.0
81.07031	5.7
83.04974	2.2
85.02888	3.0
87.00804	7.1
91.05460	22.6
92.09346	2.8
93.07017	13.9
95.04944	2.4
95.08585	7.3
97.02882	1.9
97.06501	5.7
105.07014	19.0
107.08578	100.0
107.67420	1.2
109.06480	6.4
109.10141	2.6
117.06966	7.0
119.08573	23.3
120.09396	1.9
121.06483	2.2
121.10110	21.2
123.04363	1.4
123.08054	5.4
129.06989	6.0
131.08557	9.6
133.06491	2.8
133.10091	5.6
134.45778	1.4
135.08020	4.9
135.10648	2.9
135.11681	68.8
137.09593	1.5
137.13226	6.8
139.03868	11.3
144.09306	7.0
145.06485	1.6
145.10115	48.8
149.09561	2.8
149.13251	5.3
159.11681	34.5
161.05981	1.9
161.13229	1.8
163.03943	2.7
163.07498	5.3
163.11156	92.6
167.06966	2.8
175.07556	5.1
176.08286	7.0
177.09155	1.6
177.12718	42.8
179.14246	2.0
181.08563	2.0
187.11162	1.7
189.09090	1.6
190.09785	5.7
195.15146	1.3
205.12222	86.2
215.06970	2.4
223.13264	38.9
259.09473	8.8
299.35013	1.5
406.88071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
57.03428	22.0
59.04977	0.8
60.04515	0.8
61.02921	8.4
63.61218	0.7
65.03926	0.8
65.10321	0.9
65.33034	0.7
67.05484	0.8
69.03064	1.1
69.03413	20.3
71.01334	1.7
71.04960	0.8
73.02898	43.4
79.05451	0.8
81.03400	1.8
84.67796	0.8
85.02890	30.9
85.33781	0.8
86.09704	1.5
87.04466	0.9
91.05461	100.0
93.07028	1.8
97.02869	37.7
99.04420	3.2
105.07022	4.0
107.08602	3.0
109.02867	3.7
109.06503	0.9
109.10136	1.2
111.65825	0.7
115.03907	11.2
117.03360	0.9
117.06978	3.8
119.08557	3.1
121.06446	3.9
121.10090	0.9
127.03915	7.2
129.06966	2.8
131.08568	3.6
133.04944	1.3
133.06422	1.1
133.10181	0.8
135.04433	1.1
135.08037	3.4
135.11700	0.8
135.48222	0.7
137.02321	3.2
137.05977	1.7
139.07510	1.0
143.08586	1.0
145.04935	5.4
145.06512	1.5
145.10217	0.8
147.04401	1.0
150.07613	0.9
159.07991	1.0
159.11719	1.7
161.04311	0.7
163.03886	4.2
163.06032	1.5
163.07478	0.8
163.11166	1.2
177.09026	1.7
187.07571	1.0
195.10144	4.5
205.08513	1.8
205.12195	1.1
216.75732	0.9
217.08670	1.0
223.09648	3.5
223.13211	1.7
228.45070	0.7
235.09619	1.1
240.01399	3.1
241.07133	1.3
241.10732	1.0
241.14188	1.3
251.12860	0.7
253.10567	1.5
258.02567	1.5
259.07858	1.3
295.10223	0.8
409.48904	0.9
423.53317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03733	1.0
53.03940	13.6
55.01867	13.2
57.03433	9.8
57.14827	1.0
60.04517	2.4
61.02920	9.7
68.99775	5.5
69.03416	39.2
71.04979	8.1
73.02903	13.0
81.03403	43.1
83.01357	1.1
85.02894	100.0
87.00813	53.2
91.03946	5.4
97.02869	63.5
99.04430	19.6
105.01849	39.0
107.04890	1.7
108.04470	9.9
109.02863	35.0
113.31479	1.3
115.03853	1.2
117.01832	8.9
126.05513	5.2
127.03895	62.0
129.01837	2.8
131.04929	1.8
137.02357	5.1
145.04956	28.8
147.02910	1.6
147.04404	2.6
149.05942	1.3
159.02863	24.5
160.94829	1.1
179.03342	1.2
213.03926	2.3
223.13306	2.2
231.04982	11.4
243.50298	1.2
248.07625	2.4
258.13394	1.9
329.47565	1.3
340.24451	1.3
439.72980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
57.03428	22.0
59.04977	0.8
60.04515	0.8
61.02921	8.4
63.61218	0.7
65.03926	0.8
65.10321	0.9
65.33034	0.7
67.05484	0.8
69.03064	1.1
69.03413	20.3
71.01334	1.7
71.04960	0.8
73.02898	43.4
79.05451	0.8
81.03400	1.8
84.67796	0.8
85.02890	30.9
85.33781	0.8
86.09704	1.5
87.04466	0.9
91.05461	100.0
93.07028	1.8
97.02869	37.7
99.04420	3.2
105.07022	4.0
107.08602	3.0
109.02867	3.7
109.06503	0.9
109.10136	1.2
111.65825	0.7
115.03907	11.2
117.03360	0.9
117.06978	3.8
119.08557	3.1
121.06446	3.9
121.10090	0.9
127.03915	7.2
129.06966	2.8
131.08568	3.6
133.04944	1.3
133.06422	1.1
133.10181	0.8
135.04433	1.1
135.08037	3.4
135.11700	0.8
135.48222	0.7
137.02321	3.2
137.05977	1.7
139.07510	1.0
143.08586	1.0
145.04935	5.4
145.06512	1.5
145.10217	0.8
147.04401	1.0
150.07613	0.9
159.07991	1.0
159.11719	1.7
161.04311	0.7
163.03886	4.2
163.06032	1.5
163.07478	0.8
163.11166	1.2
177.09026	1.7
187.07571	1.0
195.10144	4.5
205.08513	1.8
205.12195	1.1
216.75732	0.9
217.08670	1.0
223.09648	3.5
223.13211	1.7
228.45070	0.7
235.09619	1.1
240.01399	3.1
241.07133	1.3
241.10732	1.0
241.14188	1.3
251.12860	0.7
253.10567	1.5
258.02567	1.5
259.07858	1.3
295.10223	0.8
409.48904	0.9
423.53317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.0
53.03945	1.8
55.05509	9.2
57.03433	1.7
57.07061	1.6
58.96402	0.9
61.02909	1.4
61.77357	0.9
65.03926	1.0
67.05508	10.7
69.03415	4.8
69.07055	13.2
71.04980	14.1
73.02875	1.3
73.06561	1.0
79.05475	22.9
81.03414	1.2
81.07040	100.0
83.08609	4.4
85.02883	10.6
85.06541	1.3
86.09728	1.0
91.05474	10.9
92.08559	1.1
93.07027	40.7
95.04958	2.3
95.08586	27.5
97.02876	1.5
97.06481	2.2
97.10118	1.9
99.08076	1.4
105.07011	28.7
107.04886	1.8
107.08584	64.4
109.06533	1.0
109.10145	34.7
111.11677	1.4
119.08567	39.9
121.10142	15.6
123.11688	18.1
125.09610	4.3
127.11170	14.4
131.08551	1.6
133.10109	33.4
135.11676	93.1
137.09612	1.7
137.13243	4.2
143.10651	12.4
145.10109	5.1
147.11668	22.5
149.13254	5.8
153.12744	1.9
159.11693	4.4
161.13226	8.2
163.14722	1.6
177.16222	1.2
203.17928	38.6
203.19695	2.1
221.18983	36.6
223.08444	1.0
239.20140	5.9
257.21088	2.5
345.17548	1.2
358.28976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2787
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
56.50641	0.5
59.46348	0.5
61.69961	0.5
76.56615	0.8
85.59043	0.6
85.85178	0.5
91.05465	12.4
99.33427	0.6
105.46699	0.5
119.04931	41.7
121.10183	0.7
130.28625	0.6
130.42094	0.5
147.04401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.96540	0.7
57.03428	1.0
59.04991	0.9
63.42893	0.6
67.05149	0.9
67.05491	23.6
68.05814	4.2
69.07047	0.7
70.45493	0.7
72.06607	0.7
79.05501	0.9
81.07033	4.1
83.08598	0.7
89.69701	0.6
91.05460	1.1
92.09299	1.0
94.26553	0.6
96.08049	0.6
105.06985	2.7
109.10140	19.3
110.10473	4.4
117.07007	11.1
119.08544	8.8
124.07572	0.9
129.06987	1.0
131.08548	1.5
143.08517	4.7
145.06445	1.6
145.10088	9.2
147.08032	2.4
147.11644	1.2
155.08490	5.6
157.10059	0.8
160.11200	1.1
169.10132	1.1
171.07988	1.0
171.11644	0.9
173.05910	5.1
173.09555	3.4
173.11711	3.2
174.12042	1.0
177.00125	0.8
179.08458	0.7
181.10107	0.9
182.10904	1.1
183.11646	2.8
188.10712	1.4
197.13219	3.6
200.10628	0.9
200.23102	0.6
201.09073	1.4
216.10164	100.0
225.12691	3.0
229.14262	8.6
230.14651	3.9
244.13260	23.8
252.13721	1.4
253.12181	5.1
256.13452	0.7
270.14825	41.7
281.15216	1.0
298.18008	17.0
302.17447	46.5
316.50574	0.7
330.20587	27.1
374.19562	34.8
383.24307	3.4
384.24518	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	419.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46047	0.4
50.65799	0.4
53.03934	0.9
54.52271	0.4
55.01863	2.0
57.03418	2.3
61.02919	4.5
61.46581	0.5
62.64267	0.4
69.03072	0.5
69.03417	8.8
71.04958	1.1
73.02899	1.1
81.03419	4.9
85.02894	30.4
87.04448	0.8
91.03934	0.9
97.02876	9.0
99.04432	1.0
109.02868	3.0
117.05746	9.5
125.31869	0.5
127.03934	3.8
130.06512	2.3
131.07294	6.4
134.86841	0.5
143.07275	8.8
145.04939	3.2
149.01482	0.5
151.01862	0.5
152.02603	94.8
159.06799	3.7
164.02594	38.2
165.03395	0.9
166.04164	13.1
169.05276	0.8
176.02594	2.5
178.04146	8.0
180.02084	62.6
180.08626	0.5
187.06306	1.7
190.04131	2.4
192.01978	0.5
194.03656	66.7
204.02061	14.4
218.03758	1.0
222.03142	53.1
226.50706	0.5
240.04182	100.0
258.37009	0.5
287.05511	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84160	0.4
57.03439	0.5
57.07066	3.9
63.78674	0.4
64.07537	0.4
65.03928	0.8
67.05494	7.8
69.03422	3.2
71.04993	0.4
72.08134	0.5
73.02874	0.5
78.62036	0.4
81.03410	4.6
83.98903	0.4
85.02886	5.0
85.06538	13.0
85.20959	0.4
86.09676	0.6
87.43977	0.4
88.23023	0.4
93.03368	1.1
97.02887	2.7
98.97589	1.9
99.04459	0.6
103.07578	11.0
109.02847	1.8
111.04443	4.8
116.98605	0.7
121.08609	6.5
127.03893	2.8
135.04430	0.8
137.02332	100.0
137.03357	4.9
138.02785	0.5
145.02863	0.8
149.05934	0.5
155.03423	4.2
163.03874	4.8
172.85590	0.5
175.07541	0.6
177.00751	0.7
177.09079	6.3
201.00809	0.5
221.11861	0.7
239.12830	0.4
256.18878	0.6
265.07019	0.5
281.06448	1.7
299.07568	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59724	0.4
54.10014	0.4
55.05502	11.3
57.03429	10.5
57.07079	0.6
59.04992	6.7
65.03926	0.8
67.05493	100.0
69.07060	2.4
71.04981	2.9
79.05466	0.9
81.07040	14.7
83.04972	1.3
83.08605	7.9
85.06535	3.1
91.05474	5.3
92.08688	0.7
93.07027	3.7
95.04982	0.6
95.08577	6.1
99.08120	0.5
101.05998	5.1
107.08595	2.3
109.06477	0.6
109.10141	92.4
111.04425	5.5
111.08085	3.3
119.08568	5.2
129.05434	4.4
135.79811	0.5
137.09642	2.3
147.06552	1.0
155.10648	5.3
173.11703	22.4
183.10237	0.6
201.11211	2.7
229.14311	57.9
260.22644	0.5
304.19522	0.6
383.24213	42.1
401.21765	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	418.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06618	0.5
55.05262	0.6
55.05504	8.7
55.44970	0.5
57.03167	0.8
57.03429	13.5
57.07067	1.2
59.04993	6.4
67.05492	100.0
69.07040	2.7
71.04965	2.9
72.81382	0.6
76.56578	0.5
79.05481	1.2
81.07037	13.7
83.04957	0.6
83.08600	7.9
85.06517	3.0
91.05448	5.7
93.07030	3.5
95.08592	5.3
107.08575	2.5
109.10143	94.7
111.08076	2.7
119.08595	5.6
137.09596	3.7
155.10660	3.4
173.11700	21.2
173.13187	0.8
188.68814	0.6
191.17480	0.7
192.85487	0.6
213.09920	0.6
229.14319	58.2
383.24222	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	418.1796
Annotation	ZSTK474
Peak:m/z	Relative Intensity
51.17831	0.9
53.03941	1.2
55.05507	8.7
56.05039	9.4
56.96545	1.4
58.16111	1.2
59.49551	1.0
64.79034	1.0
66.57596	1.1
67.05511	1.2
72.08128	5.0
73.06542	2.1
79.05468	2.5
81.07059	1.1
81.19361	1.2
84.08115	7.6
85.01117	51.6
85.02860	1.3
87.01935	6.8
87.02682	6.4
91.05472	2.2
93.07037	2.2
95.04932	1.1
95.08595	2.2
98.06037	8.4
98.97552	1.6
105.07042	1.5
106.06546	25.5
108.90989	1.1
115.02164	2.0
115.08682	1.8
119.08553	1.6
127.08656	37.4
127.54646	1.2
131.06056	6.0
132.04453	10.0
133.10103	2.7
141.06570	100.0
143.01608	67.6
146.99573	1.2
157.13342	14.2
169.13338	12.8
236.07489	4.6
246.12361	2.4
288.17044	5.5
418.17914	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88939	0.1
73.06533	0.3
74.26042	0.2
79.05476	0.2
79.95774	0.2
91.05433	0.2
92.09424	0.2
93.07030	1.2
95.04911	0.1
103.05448	5.3
107.04936	1.6
113.17250	0.2
118.37767	0.2
120.08084	100.0
121.08434	0.2
128.01355	0.2
131.04906	2.9
139.08179	0.2
149.05945	1.8
166.08607	27.0
209.04060	0.2
226.33351	0.2
242.05881	0.2
285.59036	0.1
328.23810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57835	3.5
52.55632	3.2
56.96524	3.1
62.39671	3.1
79.05452	4.0
100.78432	4.2
102.49127	3.7
177.18407	3.7
239.02539	4.6
417.26013	100.0
417.31006	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62340	0.1
53.03932	0.5
55.01855	0.6
57.03432	0.2
62.57688	0.1
65.03925	0.7
69.03416	1.9
71.01333	0.2
71.04994	0.2
73.02875	0.2
73.03284	0.1
79.05431	0.1
81.03403	6.0
85.02892	2.5
93.03376	1.4
97.02869	2.9
99.04447	0.9
107.01294	0.2
109.02866	3.6
111.04434	5.8
120.58607	0.1
121.02840	0.6
127.03895	2.8
135.08000	0.2
137.02327	100.0
138.02647	0.3
155.03372	7.6
163.03867	0.3
176.61330	0.1
181.40324	0.1
186.81297	0.1
229.09702	0.1
263.05585	0.2
281.03683	0.3
281.06546	4.7
285.20987	0.2
299.07556	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	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.21841	0.3
55.05507	54.9
61.02897	0.3
61.80682	0.3
65.03923	0.6
69.03417	0.4
69.22031	0.3
73.06535	13.0
76.56658	0.3
81.03383	0.4
85.02893	2.4
91.07572	21.4
97.02881	0.5
121.02827	2.8
122.02512	0.3
124.68371	0.3
131.08565	0.3
142.99916	0.3
149.02324	100.0
159.52066	0.3
162.12360	0.3
167.03372	1.9
175.07518	0.7
203.06946	0.4
221.08038	13.0
239.09164	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	417.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42769	0.6
57.78242	0.6
61.57709	0.6
62.94893	0.6
64.32742	0.6
65.74443	0.5
70.06583	0.6
71.45502	0.5
76.31693	0.7
83.81983	0.7
85.02903	1.0
98.97584	0.8
100.86813	0.7
107.94123	0.6
127.03864	1.2
139.42236	0.8
169.42116	0.8
191.03247	1.0
249.15707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.1
67.05482	1.7
76.28770	1.0
79.05481	1.4
95.08595	6.0
105.07030	1.4
107.04945	2.6
111.04417	1.6
122.07269	7.1
123.08033	11.6
129.73845	1.2
135.08032	2.3
137.05971	1.5
139.71756	1.0
150.06734	19.3
151.07526	100.0
152.08247	5.8
162.45341	1.1
164.08379	1.8
164.16580	1.0
177.09119	2.5
191.10623	11.8
416.36353	39.3
442.57736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75588	0.7
53.03924	0.8
55.01863	1.4
55.31490	0.8
57.03424	3.9
61.02913	4.7
67.01851	6.8
67.05505	1.3
68.99777	11.4
69.03426	3.8
69.07073	1.7
70.06570	9.0
71.01350	0.9
71.04958	1.0
72.08149	1.0
73.02877	0.9
76.02189	1.0
77.03902	1.1
79.05473	1.2
81.03397	4.9
83.04951	2.9
84.71791	0.8
85.02894	30.1
86.09695	23.7
87.00824	9.2
87.09991	0.9
91.05456	5.1
95.04970	3.5
103.03947	3.6
103.05467	3.6
105.01871	1.6
105.03371	9.0
105.07022	4.9
107.04937	1.5
107.08587	1.4
109.02864	12.6
109.06570	0.9
115.05428	1.3
115.49236	0.9
119.04926	8.0
121.02844	1.2
123.04404	16.9
123.06782	1.0
127.03917	5.5
128.06151	1.5
129.01834	7.4
129.07007	3.4
133.02846	1.6
133.06479	11.9
133.10156	1.2
134.06834	1.8
135.04414	1.1
137.02328	1.8
137.05919	4.0
138.09058	0.9
139.03894	5.0
141.05399	0.8
143.04980	1.1
145.02853	1.0
147.03120	1.2
147.04387	21.5
151.03896	46.4
153.01820	3.8
157.06467	3.4
161.05905	6.1
163.03882	17.9
165.05455	18.9
167.03345	1.1
169.04910	7.8
171.03065	0.9
171.04350	8.0
173.02333	1.2
175.03902	18.6
175.07489	1.1
177.05467	1.0
179.07024	1.9
181.04910	22.2
183.11433	1.1
185.05977	5.9
187.03893	5.8
189.01756	1.0
189.03885	1.8
189.05409	15.9
193.04936	100.0
203.06985	6.6
205.04890	9.2
207.03070	1.3
207.06514	23.6
211.06006	49.6
211.08054	1.7
213.05428	12.2
217.04912	13.2
221.08199	0.9
228.13441	3.5
231.06491	22.1
233.04428	2.0
235.05971	47.7
240.16689	0.9
241.04964	8.6
259.05972	39.8
259.08713	1.6
277.07001	35.5
295.08136	1.0
314.94153	0.9
363.06876	4.6
381.07883	1.4
384.62030	1.0
399.09335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
59.04991	1.0
69.07064	4.4
70.02956	1.6
70.06564	0.7
76.03986	0.5
79.05494	0.6
81.03416	0.5
81.07037	0.7
82.02934	0.5
83.04971	0.8
85.02909	0.6
86.09695	100.0
87.05569	2.5
96.08103	0.9
97.02872	0.6
98.02406	1.7
104.79855	0.4
105.07021	2.8
109.03118	0.5
110.02420	0.6
110.09695	0.4
113.10770	3.2
124.03857	0.4
133.06471	8.3
133.07384	0.6
137.02335	4.5
138.02594	0.6
138.09122	6.0
141.10207	6.8
143.04431	0.5
147.04326	0.5
155.11775	5.6
161.90518	0.4
163.03896	2.5
166.08688	2.2
183.09752	0.8
183.11279	13.4
189.12309	5.2
194.08075	3.4
199.10791	0.5
200.13936	8.5
211.10783	6.3
226.52478	0.5
228.13408	22.1
259.75497	0.6
269.11356	0.6
279.92438	0.5
296.19727	3.6
303.16507	1.5
313.22037	0.4
314.49969	0.6
341.21744	4.2
371.88751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88008	0.2
53.03925	0.4
54.24121	0.2
55.01849	0.2
55.05501	0.4
56.96593	0.2
57.07048	0.3
60.14272	0.2
69.03407	0.5
78.80657	0.3
79.05452	0.3
81.03400	1.0
85.02884	3.4
87.00820	1.6
91.05471	3.8
93.07021	0.5
97.02878	1.9
97.06519	0.6
98.31287	0.3
101.06020	0.4
105.01859	1.6
105.07015	33.5
107.08588	0.4
109.02857	0.5
115.05487	0.4
117.07006	1.2
118.07716	0.4
119.08588	0.5
122.47883	0.3
123.30364	0.3
127.03904	1.8
131.08556	5.4
133.10110	100.0
134.10411	0.3
137.05971	0.5
139.03853	0.3
145.04875	0.6
145.10081	0.5
148.42552	0.3
167.35478	0.3
186.08864	0.3
231.05040	0.3
248.78214	0.3
249.06027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48118	0.3
55.05507	0.5
56.23732	0.3
57.07047	0.3
65.87762	0.3
67.05501	0.4
69.07066	0.6
79.05464	0.8
80.99137	0.4
81.03391	0.7
81.07014	0.4
85.02881	1.4
91.05460	3.7
93.07019	2.0
95.08600	0.5
97.02859	0.4
105.07011	10.3
107.08575	0.4
109.06455	0.3
109.71957	0.4
114.72413	0.4
115.05437	0.5
117.07007	0.5
118.07800	0.8
119.08492	0.5
127.03937	0.4
131.08534	7.6
133.10109	100.0
134.10338	0.4
137.05904	0.4
139.03917	0.4
142.79607	0.4
145.10094	0.4
156.47520	0.3
159.11647	0.6
173.13254	1.7
201.16386	0.6
214.20682	0.3
219.17453	0.5
363.42383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17355	0.2
52.13014	0.1
53.00285	0.2
55.05505	0.2
56.14019	0.2
69.03402	0.4
79.05468	0.4
79.77850	0.2
85.02888	1.7
87.00805	0.9
91.05461	8.2
93.07024	0.9
95.04929	0.2
95.08572	0.3
97.02861	0.4
97.23566	0.2
99.04490	0.3
103.05431	0.3
105.01855	0.9
105.07014	18.1
107.08582	0.4
117.06987	0.8
118.07776	0.3
124.11150	0.2
127.03913	1.0
129.24286	0.2
131.08545	3.1
131.65462	0.2
133.10109	100.0
134.10446	0.2
140.47069	0.2
145.04927	0.4
145.10045	0.3
153.29639	0.2
159.11623	0.2
180.10207	0.2
219.13797	0.2
231.04980	0.2
234.93086	0.2
249.06094	0.2
257.30829	0.2
356.51434	0.2
369.77563	0.2
419.78848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99844	0.1
53.03946	0.4
55.01862	0.3
57.03412	0.2
65.03923	0.3
69.03406	0.7
79.05420	0.2
81.03397	2.7
82.17872	0.2
85.02895	1.2
93.03385	0.2
94.09763	0.2
97.02886	1.4
99.04467	0.2
109.02866	1.7
111.04422	2.8
119.04935	0.2
121.02789	0.4
127.03866	3.1
137.02319	100.0
137.03369	6.3
138.02661	0.9
148.15375	0.2
153.01920	0.2
155.03349	2.4
163.03879	0.2
229.83835	0.2
281.06335	1.2
283.05988	0.4
295.05820	0.8
299.07584	2.3
397.14346	0.2
402.09641	0.2
415.10645	0.2
415.15485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84713	1.3
62.97620	1.4
63.21827	1.4
79.05492	1.7
92.09394	3.6
92.63957	1.7
100.92085	1.5
105.96032	1.9
119.08575	2.1
131.96292	1.4
220.81470	1.6
228.70792	1.6
248.02888	1.5
376.34756	1.9
415.24490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88343	4.0
54.81629	4.8
55.05507	19.8
57.07059	5.9
61.14954	4.3
67.05508	8.6
69.07075	36.9
76.49380	5.6
79.05475	5.7
81.07051	42.6
83.08624	10.0
85.06527	100.0
85.06951	7.1
90.35664	4.8
91.05355	5.0
93.07018	27.8
95.08594	90.8
97.10119	7.6
107.08573	46.9
109.10162	45.3
111.08078	21.2
119.08595	13.1
121.10155	48.7
123.11678	28.9
131.08615	5.2
133.10136	7.7
135.11681	22.6
137.13252	34.9
149.13240	27.3
163.14816	9.0
205.19473	84.5
213.32092	5.2
415.35632	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60913	3.7
55.05523	36.9
57.07067	22.2
58.92669	3.9
64.70731	4.1
69.07064	54.9
69.28585	4.0
71.08614	7.2
75.72748	4.3
78.64548	4.7
81.07006	6.1
83.08599	40.8
86.62802	4.9
87.15162	5.2
95.77985	4.6
97.10175	10.8
98.80691	4.4
102.05559	7.3
104.07087	100.0
111.11716	8.0
132.44414	5.0
142.89998	4.7
161.48999	4.5
165.99028	6.6
204.93861	5.2
298.81281	5.3
396.34772	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	415.1018
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.01869	3.3
56.81893	0.5
57.03435	4.7
61.02915	2.9
68.99789	0.9
69.03417	6.2
69.07044	0.6
71.01348	0.6
73.02905	14.3
73.80016	0.5
74.03242	0.7
81.03400	3.8
85.02892	19.6
86.03223	1.3
91.05465	0.8
92.08643	1.4
93.56712	0.6
95.04939	0.6
97.02876	9.9
99.04417	0.8
109.02877	3.2
115.03934	3.6
119.04937	4.7
121.02843	11.1
127.03885	4.8
131.04901	0.9
131.08533	0.6
133.04953	3.3
140.28941	0.5
141.01823	3.0
143.39197	0.6
145.02898	2.8
145.04906	5.2
146.05313	0.7
149.02318	1.0
156.94109	0.6
159.04366	0.8
163.03893	6.7
163.05942	1.1
165.01813	17.8
167.03371	0.8
177.05511	0.6
181.04878	2.5
183.02853	11.6
187.03915	3.2
191.03355	2.8
199.11110	0.6
202.81068	0.6
203.03508	0.6
205.04951	2.3
206.30583	0.6
207.02838	0.6
221.04417	0.6
233.04344	0.6
241.73500	0.6
259.08148	0.8
261.04022	0.6
267.06485	3.6
270.05179	1.2
271.05951	7.6
279.06476	2.8
281.08008	15.7
283.05957	100.0
284.06616	1.2
293.07953	0.9
294.05145	0.8
295.05997	9.4
295.09662	3.3
297.04449	0.7
297.07629	3.6
305.07962	3.9
307.05957	3.2
308.06818	3.4
309.04022	2.4
309.07507	36.1
313.07095	3.6
321.07635	4.7
323.05673	0.8
323.09082	15.8
333.07452	5.0
337.07013	36.4
337.11078	1.2
349.06989	11.0
351.08496	2.4
361.07013	7.9
367.08087	14.2
379.08038	14.3
397.09085	14.9
415.10190	12.1
415.15164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01866	7.2
56.05038	0.7
56.50351	0.7
56.71722	0.7
57.03429	18.7
59.04985	1.4
59.14437	0.7
61.02911	13.3
62.20324	0.7
67.71231	0.7
69.03415	31.8
71.01328	5.2
71.04965	1.1
73.02899	85.2
81.03383	2.0
85.02889	100.0
87.04454	4.0
91.03926	3.7
91.05427	1.1
93.07028	1.6
95.05015	0.7
95.16022	0.8
96.53499	0.7
97.02872	45.1
99.04438	4.3
103.03934	1.6
109.02894	7.1
115.03905	20.4
120.08067	4.3
127.03893	23.8
129.22552	0.8
133.04938	17.1
145.04938	29.9
150.07603	0.9
163.05978	11.1
166.08598	20.4
169.37997	0.8
186.88159	0.9
215.06943	1.7
217.06947	0.9
223.05998	3.3
241.07008	3.3
259.08102	4.0
265.16431	1.0
295.10294	1.1
316.98196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.6
57.03430	34.5
59.04993	1.4
61.02913	12.1
62.13526	0.6
66.21203	0.5
68.85673	0.6
69.03419	56.8
71.01324	1.4
71.04980	1.2
72.10372	0.6
72.51542	0.6
73.02900	39.5
75.04449	3.1
79.05444	0.6
81.03403	6.6
85.02893	100.0
87.04451	27.3
91.03936	3.3
97.02870	54.1
99.04445	5.5
101.02371	1.0
103.03908	1.0
109.02878	8.1
115.03912	35.6
115.04739	1.2
123.04357	0.8
127.03899	18.0
133.03943	1.2
133.04945	23.6
145.04939	23.6
150.07614	3.3
163.06012	10.9
169.04898	0.8
223.05984	1.0
241.06909	1.3
245.04700	0.7
259.08188	2.6
265.16403	2.5
280.10107	0.7
295.10245	1.5
295.81015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.214
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.79136	0.3
59.04987	0.9
92.35204	0.4
100.00042	0.4
100.79935	0.5
142.08675	0.4
160.58685	0.5
167.07858	0.6
297.93103	0.6
339.14087	2.2
355.24405	0.5
413.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2294
Annotation	Thr His Arg
Peak:m/z	Relative Intensity
51.61021	3.8
53.07702	3.7
78.70052	4.3
85.30692	5.2
93.62251	4.3
180.81131	4.4
260.52216	5.4
280.29208	5.1
390.85068	5.3
413.22662	100.0
413.27014	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	414.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
53.03927	0.6
55.01864	0.5
57.03432	0.4
65.03918	0.3
69.03416	2.2
71.04988	0.3
73.02908	0.5
78.01870	0.3
81.02924	0.5
81.03402	12.9
85.02896	4.0
85.09331	0.2
87.04467	0.3
87.44883	0.2
91.05445	0.5
93.03391	1.0
93.07073	0.3
95.04954	1.5
97.02864	2.6
97.06495	0.2
99.04455	0.4
105.07023	1.0
105.65295	0.2
109.02890	2.0
111.04434	4.0
115.05457	0.4
118.62492	0.2
118.63367	0.3
123.04406	0.4
124.58443	0.2
127.03886	3.2
128.06194	1.2
133.06465	0.4
135.04317	0.3
137.02327	100.0
138.02690	0.4
141.06992	0.3
145.04968	0.3
148.02148	0.5
155.03362	4.7
156.05678	0.5
161.05956	0.5
163.23212	0.2
184.05156	4.4
187.07423	0.4
189.05351	1.8
189.09116	0.3
199.05659	0.6
199.07520	17.8
215.07120	0.4
217.08575	3.3
281.06580	2.6
299.07578	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	413.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81591	0.1
55.01883	0.2
55.05508	1.2
56.05020	0.4
56.96560	0.2
57.03424	0.7
69.03413	1.3
69.56837	0.1
73.02903	0.4
74.06068	2.5
81.03410	0.2
83.08605	1.6
85.02900	0.9
95.03362	0.2
97.02873	1.0
98.97540	0.2
101.09635	1.0
102.05552	1.0
116.98593	0.3
117.81387	0.2
119.03529	2.3
119.10622	0.2
120.06575	4.5
120.07384	0.4
127.03909	0.3
131.04942	0.3
134.22643	0.2
136.06168	100.0
137.02330	2.4
137.03546	0.3
137.04572	2.6
137.05965	0.3
147.04424	0.4
150.76532	0.2
162.04083	57.6
163.03920	0.8
178.54855	0.2
268.10413	0.3
281.09875	26.2
294.08527	0.2
339.11249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18770	1.7
54.29794	2.1
56.96569	2.0
64.94051	1.7
69.03421	8.1
74.31387	2.0
97.02885	4.7
101.21475	2.0
106.58862	2.3
111.04439	3.9
136.06197	7.7
137.02342	16.0
162.04095	3.9
195.01367	3.1
213.02451	3.0
231.03645	2.6
249.28891	2.1
273.52029	2.6
341.42001	2.1
349.02820	2.6
353.07117	9.8
371.08167	4.0
413.14172	100.0
413.26254	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	412.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61386	0.6
54.81273	0.6
55.05505	9.4
55.44331	0.6
55.48595	0.5
56.96563	0.6
57.03414	1.3
57.07068	20.1
59.04991	100.0
59.72109	0.5
61.02915	1.5
69.03415	8.4
69.07056	72.1
70.54250	0.6
71.08611	10.6
72.74805	0.6
73.02884	0.8
73.06538	28.3
77.06012	3.7
80.85966	1.0
81.03390	2.6
83.08593	3.4
85.02889	20.1
85.10155	5.9
87.04451	25.2
91.03940	0.8
97.02874	5.3
97.06507	5.9
99.04428	0.9
99.43375	0.7
105.05489	24.2
108.85507	0.8
109.02858	1.6
109.10153	1.0
111.11705	65.6
117.05457	1.1
122.76249	0.7
123.06484	1.1
127.03860	5.5
129.12733	93.9
137.02313	0.9
140.28256	0.7
145.04941	2.9
146.63829	0.7
163.03876	1.6
163.06041	0.7
173.02313	3.1
215.06976	1.2
215.16447	1.6
233.17493	3.0
259.09616	3.6
318.13498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1074
Annotation	Cibotiumbaroside A
Peak:m/z	Relative Intensity
52.62535	0.2
53.03928	0.3
55.01853	0.2
65.03920	0.3
69.03400	0.6
73.02883	0.2
78.89780	0.2
78.96178	0.2
81.03391	2.5
84.58482	0.2
85.02896	0.9
93.03388	0.4
97.02866	1.6
99.04405	0.3
109.02862	1.6
111.04418	1.5
115.03925	0.2
127.03906	2.4
137.02319	100.0
138.02733	0.3
147.08173	0.2
155.03346	1.6
258.75861	0.3
295.42505	0.2
299.07529	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84623	1.2
55.01854	2.1
55.05510	13.6
55.76834	1.3
57.03410	6.6
57.07066	2.4
59.06649	1.4
60.04409	1.3
61.02931	1.3
69.03423	19.4
69.07057	100.0
71.94676	1.3
73.02889	10.1
75.04430	1.3
81.03402	14.6
81.07008	5.6
83.08602	1.6
85.02892	47.3
87.00349	2.0
87.00797	18.2
87.04448	2.2
90.86790	1.4
91.05465	2.1
95.08582	3.0
97.02870	19.9
97.06527	1.8
99.04428	2.9
105.01841	15.1
105.06994	1.9
109.02873	11.4
109.10167	2.0
111.11703	35.4
121.10127	1.9
127.03906	20.6
129.09114	1.8
129.12740	26.8
137.13194	1.4
145.04945	6.0
147.13795	8.2
178.16794	1.5
195.17407	1.6
196.17816	1.7
200.04649	1.9
231.04919	2.9
233.95059	1.4
247.61871	1.4
249.06047	1.9
259.09579	1.7
411.19629	2.1
412.19983	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00681	0.9
53.03925	2.8
55.01855	2.9
55.05508	15.7
57.03417	7.4
57.07055	1.6
61.02909	8.1
66.60729	1.0
68.03959	1.1
69.03065	1.9
69.03415	26.6
69.07056	100.0
71.04955	2.0
71.26917	1.0
71.50548	1.3
73.02901	13.0
79.05495	1.3
80.03328	1.2
81.03410	13.0
82.03712	1.3
83.08622	2.1
85.02896	49.5
87.00815	21.0
87.04462	1.6
91.05424	1.3
95.08573	2.6
95.50533	1.3
97.02863	15.7
97.06509	1.6
99.04417	5.2
105.01852	13.6
107.08527	2.1
109.02852	13.7
109.10091	2.0
111.10963	2.7
111.11696	43.9
115.03918	2.8
115.56329	1.4
121.10077	2.4
127.03903	23.8
129.12729	26.5
133.04967	1.8
133.10117	2.0
145.04927	8.9
147.10110	2.1
147.13806	8.6
159.02882	4.7
196.17773	2.4
200.18855	1.4
215.07092	1.4
231.04976	7.9
337.26468	1.3
411.19971	2.0
412.20151	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	412.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.7
54.36228	1.0
55.01870	14.5
55.05504	9.8
57.03431	6.5
59.34099	1.2
61.02915	11.8
67.05485	1.8
68.99789	2.6
69.03096	1.0
69.03416	41.9
69.07059	53.0
71.01327	2.0
71.04981	7.7
73.02907	13.3
79.05501	1.5
81.03403	42.6
81.07018	2.1
83.08591	1.5
85.02894	100.0
87.00810	58.7
87.04477	1.5
91.03914	2.0
92.09212	1.6
95.08591	2.5
97.02863	39.8
97.06531	2.8
99.04433	20.6
105.01851	40.0
105.07044	2.0
105.73389	1.4
108.04469	6.9
109.02867	37.5
111.11710	14.5
117.01834	7.8
126.05514	2.5
127.03897	53.6
129.01842	5.0
129.12727	13.7
145.04953	22.4
147.03180	1.3
147.04433	6.5
147.13788	6.5
148.04738	4.7
159.02882	19.3
160.05182	1.8
161.05951	8.4
163.03909	7.7
169.20631	1.2
189.09142	8.7
195.08060	1.9
213.03957	1.6
213.64940	1.3
215.07069	5.8
231.04898	13.8
248.07672	5.7
249.05919	1.9
259.09656	7.3
412.20294	12.0
433.97418	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	411.362
Annotation	19-Norlanosta-5,24-dien-11-one
Peak:m/z	Relative Intensity
55.05484	7.9
67.05495	12.9
69.07053	28.8
70.69289	5.0
80.16573	5.2
81.07040	41.4
83.08589	7.5
83.43127	5.5
84.97480	5.7
92.56629	6.5
93.07043	7.0
95.08597	55.0
96.34618	5.2
105.07047	8.8
107.08572	25.4
109.10133	83.4
119.08563	26.9
121.10127	29.9
123.11671	24.1
131.08582	12.1
133.10168	7.6
135.11681	24.2
137.09592	48.8
137.13263	9.2
145.10170	24.0
151.12544	5.6
159.11652	14.3
161.13246	9.5
163.14769	7.8
187.14783	48.8
200.00005	6.2
201.16302	13.7
411.36069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73938	0.1
75.49947	0.1
86.09697	2.5
92.02477	0.1
94.04015	0.5
112.05057	0.1
119.03540	1.3
132.10229	0.9
136.06174	100.0
137.04573	1.1
147.70776	0.1
163.24658	0.1
173.22171	0.1
331.56247	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	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62918	1.0
54.82277	1.2
55.05500	5.6
56.63190	0.9
57.07070	56.0
65.49210	1.2
69.07053	1.9
71.08618	38.6
73.06541	5.3
79.05454	1.2
79.63837	1.3
81.07054	2.0
83.08621	1.9
85.10178	21.3
89.06018	100.0
91.58980	1.2
95.04943	1.5
105.07010	2.8
107.07081	2.0
109.10163	1.9
115.15053	1.2
117.09120	1.5
119.08569	1.9
131.08575	1.3
132.24956	1.1
133.08591	29.3
165.27258	1.3
177.11249	9.2
195.12193	1.7
239.14883	22.5
243.23071	2.8
321.46613	1.3
347.26132	1.2
359.53232	1.4
393.32028	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.81211	0.9
55.01867	4.1
55.05505	9.6
57.03430	9.2
57.03659	0.9
57.07072	11.9
60.77842	0.9
61.02916	6.5
64.32806	0.9
65.03926	0.9
67.05499	17.9
69.03418	21.4
69.07058	22.7
71.04981	6.0
71.08610	1.4
73.02888	3.7
79.05490	6.0
81.03395	10.1
81.07044	17.0
83.08595	11.8
85.02890	86.8
85.06539	7.1
86.83411	0.9
87.00821	8.7
91.03915	1.5
91.05465	1.9
92.09359	1.6
92.87763	0.9
93.07026	19.3
95.08583	24.7
97.02860	24.4
97.06532	2.0
97.10152	5.0
99.04431	4.3
99.08086	1.5
105.01859	11.1
105.07030	5.4
105.57291	0.9
107.08582	45.3
109.02846	8.5
109.06517	1.6
109.10146	37.8
111.08079	4.3
111.11703	1.4
119.08538	2.0
121.10123	97.9
123.11685	15.2
125.09644	6.6
127.03893	19.4
127.11164	2.3
133.10204	1.4
135.11679	31.0
137.13220	9.6
139.11168	32.8
143.82271	1.2
145.04955	10.5
149.13252	5.3
151.14813	6.1
152.21106	1.1
159.02846	1.1
163.03885	1.6
165.16377	11.0
177.15187	1.1
177.16357	84.2
195.17422	100.0
213.18509	13.2
230.90091	1.2
231.04955	1.6
293.25537	1.3
299.30023	1.2
318.08325	1.1
411.19638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
53.09334	0.5
55.01865	3.2
55.05507	0.9
57.03428	2.1
61.02921	1.4
63.41354	0.5
67.05494	26.7
67.58607	0.5
69.03417	11.7
69.07057	9.9
71.04987	6.0
73.02902	1.2
79.05476	2.5
81.03411	6.5
81.07048	8.4
83.08604	3.0
85.02893	22.4
85.06534	12.6
86.83153	0.5
87.00824	11.4
87.04457	0.8
91.05460	3.6
93.07007	3.6
95.08598	1.3
96.08927	0.5
97.02874	9.8
99.04450	3.4
99.08042	2.0
100.08397	0.6
105.01844	11.3
105.07064	0.8
106.07407	0.7
107.08582	5.0
108.83041	0.5
109.02827	4.7
109.10146	100.0
110.10440	1.0
119.08585	3.1
121.10136	3.8
123.08064	1.1
123.11715	1.1
125.09621	7.5
127.03900	13.2
127.11176	35.8
131.08553	3.4
133.10107	3.5
134.10481	1.2
135.11691	3.0
136.11974	0.9
137.05971	21.0
139.11208	3.3
145.04916	4.3
145.08617	1.2
146.99722	0.6
147.04350	0.9
149.09618	3.5
153.09100	11.7
159.02930	1.3
163.03949	2.6
166.07756	0.6
167.10612	5.8
167.69601	0.6
175.14809	0.9
176.15190	0.8
177.09232	0.8
182.96506	0.6
193.15819	0.8
195.10115	8.5
213.11206	17.1
221.05911	0.7
231.05009	3.2
231.12263	2.5
237.08966	0.6
249.06067	2.5
285.11066	0.8
303.15961	0.6
309.11252	0.7
345.13229	3.3
411.19827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
54.29164	1.0
55.01865	5.3
55.05505	8.1
57.03421	8.0
57.07076	1.9
59.04966	1.1
61.02912	8.0
62.81295	1.0
65.03918	1.4
67.05491	100.0
69.03417	39.8
69.07056	8.6
71.04962	9.6
72.19107	1.1
73.02892	6.8
79.05463	2.2
81.03400	19.0
81.07034	16.7
83.04934	1.2
83.08584	8.5
85.02888	86.4
85.06529	18.5
87.00808	44.0
89.03908	2.0
91.05431	2.7
93.07022	7.1
95.04975	1.5
95.08597	8.3
97.02869	35.7
99.04409	10.0
99.08076	5.6
101.02377	1.3
101.27523	1.3
103.03934	1.3
105.01853	45.0
105.02570	2.5
105.06987	2.0
107.08581	16.2
109.02853	15.1
109.06473	1.4
109.10143	63.0
110.10471	1.6
117.03349	2.2
119.08556	2.0
121.10139	16.3
125.09599	1.7
127.03889	39.4
127.07550	1.5
127.11172	16.9
129.01768	1.4
133.10112	7.3
134.10445	2.5
135.04413	8.2
135.11687	9.1
136.04730	2.3
136.12021	2.0
136.22878	1.0
137.05963	5.8
137.09631	2.6
139.11182	5.2
145.02870	4.6
145.04926	17.1
145.10127	1.3
159.02887	8.1
163.03885	21.6
164.04207	11.4
164.05354	1.2
176.15170	1.7
177.16333	11.9
193.15929	2.5
194.16246	2.0
195.17464	11.6
198.11592	1.1
213.14903	1.3
215.06870	1.8
217.12187	1.7
231.05022	9.7
249.05936	10.2
321.13199	2.6
339.14307	1.9
357.15698	1.4
391.15759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.78377	0.6
55.01861	0.8
57.03427	1.3
61.02914	0.8
67.05468	1.5
69.03398	0.7
69.07058	0.7
71.04974	1.5
78.78708	0.5
79.05463	2.6
81.07028	2.4
85.02884	3.4
85.06528	0.6
85.99363	0.5
87.00826	1.0
91.05463	8.1
93.07012	3.2
94.04150	0.9
95.04967	1.3
95.08568	1.3
97.02898	1.2
102.22030	0.7
103.05447	3.7
105.01876	0.8
105.07030	6.2
107.04929	3.4
107.08551	0.7
109.10134	3.1
111.04441	1.5
117.07046	0.6
119.04912	9.2
121.06473	7.3
122.03590	3.9
125.05959	2.7
125.87760	0.6
127.03893	1.0
127.11178	3.3
130.04120	2.5
131.04895	3.7
131.08507	0.8
133.02852	0.8
133.06448	4.0
135.04388	2.9
135.11656	1.4
137.05959	100.0
145.12190	0.8
147.04391	14.0
149.05963	18.1
150.06720	3.3
151.07484	1.4
152.98351	0.6
153.05479	5.3
161.05954	51.8
162.06734	12.1
163.03879	0.9
163.07497	1.5
165.06981	2.5
175.07483	5.0
179.06990	1.3
181.08533	2.9
187.07617	0.7
188.04607	1.3
191.07039	0.8
193.06500	2.4
195.06508	7.0
195.13860	0.7
197.05974	0.9
203.06978	20.0
205.06386	0.7
210.06702	1.3
215.07101	1.4
215.12221	0.7
221.05934	5.1
221.08066	5.5
222.06807	0.8
224.08270	0.9
225.09064	5.7
233.05974	0.9
233.08011	3.4
237.09116	2.7
238.06276	2.2
251.06993	0.9
252.07713	1.3
253.08585	9.6
255.06439	0.9
265.08514	3.9
267.10083	5.0
270.08926	0.9
277.08572	1.0
283.36099	0.6
285.11172	26.2
292.33466	0.7
295.09607	2.6
297.11224	5.1
309.11136	2.4
325.10788	6.3
327.12222	24.0
338.18112	0.7
339.12173	1.4
345.13202	9.2
357.13208	1.2
364.43427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.7
53.04190	1.0
55.01627	0.8
55.01871	14.9
55.05515	1.1
55.15002	0.6
55.29365	0.5
57.03429	8.7
57.07047	0.8
58.25761	0.6
60.04507	1.7
61.02914	9.4
64.33570	0.6
68.02163	0.7
68.99771	4.1
69.03419	38.3
69.07029	0.8
71.04987	6.8
73.02904	12.6
80.04980	0.6
81.03406	43.7
83.01318	1.2
85.02895	100.0
86.42483	0.6
87.00816	54.2
87.04452	0.7
90.57173	0.6
91.03937	4.7
97.02877	52.7
97.06505	1.0
98.06046	2.6
99.04436	19.6
100.11231	1.5
105.01856	33.7
108.04465	8.3
109.02866	38.8
109.10149	3.1
115.03912	1.4
115.50140	0.7
117.01832	6.8
126.05502	5.5
127.03900	63.2
129.01823	6.5
144.06575	0.8
145.04945	27.5
147.02916	3.2
159.02870	25.3
160.60400	0.6
168.13921	0.8
168.98074	0.6
174.62906	0.7
213.03949	3.3
230.06610	3.4
231.04955	11.8
231.35362	0.7
248.07611	4.5
249.05986	1.4
254.49878	0.8
266.08685	1.2
280.48593	0.8
318.10770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24395	1.2
55.01865	3.7
55.05499	6.1
57.03429	2.5
58.97360	1.3
65.03922	8.1
67.05499	1.6
68.93437	1.4
68.99758	2.3
69.03414	7.1
72.08163	1.9
79.05485	8.7
81.03406	9.3
81.07033	8.5
82.20809	1.4
83.04967	16.6
85.02871	12.7
85.06476	1.7
89.03881	2.3
91.05466	2.2
93.03378	10.6
93.07018	6.5
93.13869	1.6
94.34280	1.6
95.04940	7.2
97.02865	6.6
97.06507	6.3
99.04442	3.5
101.05967	1.5
105.03379	1.5
105.07056	1.7
107.04952	11.1
107.08587	2.7
109.02874	6.0
109.06499	3.7
111.04421	50.7
119.04934	7.4
121.10123	3.7
123.04393	72.7
123.08063	2.8
124.07589	1.8
125.05987	4.0
127.03876	34.6
131.04903	2.4
131.08537	3.1
135.04388	100.0
135.08066	2.0
137.02365	3.8
137.05943	18.4
139.03873	63.8
145.08664	2.5
147.04390	9.7
149.02332	10.6
149.06006	2.1
149.09572	25.2
150.03120	5.9
151.03882	34.4
153.05426	20.1
163.03845	20.8
167.10776	2.6
169.06436	1.9
173.05879	2.5
177.09070	7.9
179.03345	3.5
195.10138	22.2
197.05841	2.8
213.11143	32.1
215.07034	3.0
225.05302	1.7
229.04958	2.3
231.06512	8.3
243.06480	2.1
259.06076	3.5
261.07535	3.9
271.05930	14.6
289.07001	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	409.3826
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05492	15.5
57.07056	12.1
58.71600	2.9
63.36855	2.5
64.47672	2.9
67.05486	21.6
69.07056	28.5
71.08599	4.0
73.05284	3.0
75.18622	2.6
76.23053	2.8
79.05466	12.1
81.07040	64.4
83.08622	6.3
85.93312	2.5
86.41705	3.1
89.06013	5.1
91.05461	4.9
92.09361	5.6
92.94151	2.5
93.07010	37.3
95.08582	100.0
97.10133	4.0
101.79355	3.0
103.95005	2.6
105.07024	24.1
107.08580	49.0
109.10146	41.8
114.37650	2.9
119.08527	19.2
121.10126	49.6
123.11671	24.8
133.10110	13.7
135.08070	5.0
135.11676	36.5
137.13254	25.1
147.11642	15.1
149.13266	29.4
159.11655	10.8
161.13347	8.7
163.14799	16.2
175.14763	6.2
177.12752	12.8
177.16351	28.6
189.16412	4.4
191.17914	15.0
195.12410	4.5
203.17989	3.8
205.19478	3.2
210.08409	3.0
217.19487	11.7
231.20988	5.3
259.24142	14.0
271.24319	4.5
285.25595	2.9
404.03830	2.9
409.33481	4.8
409.38651	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01846	4.6
55.05497	21.0
57.07064	14.1
60.68470	2.7
67.05489	25.3
69.03415	6.5
69.07066	4.6
74.71656	2.9
79.05461	23.2
81.03396	2.8
81.07041	38.2
83.04972	4.0
85.06538	5.4
89.06039	3.6
91.05470	41.1
93.07027	72.4
95.04951	53.8
95.08588	31.4
97.06524	7.1
105.07015	100.0
107.08591	20.7
109.06531	17.6
109.10151	13.4
113.62154	2.7
117.07014	15.8
119.08545	58.4
121.06495	15.9
121.10143	7.5
123.08028	21.2
128.06200	6.7
129.06990	17.2
130.07808	7.0
131.08530	26.8
133.06488	3.8
133.10097	22.8
135.08051	17.3
141.06955	7.4
142.07773	17.2
143.08574	20.9
144.09354	3.0
145.10109	40.1
147.08061	15.8
147.11681	19.6
149.09570	6.1
151.07521	23.4
154.07718	4.8
155.08528	5.3
156.09323	11.6
157.10080	23.5
158.10999	3.1
159.08069	4.3
159.11700	14.6
161.09612	6.3
165.09061	21.5
167.72762	3.4
169.10133	12.0
171.11691	14.5
173.13239	3.9
175.11166	4.7
181.10004	5.9
197.13300	3.5
203.14308	6.3
207.13876	4.3
209.13393	4.6
211.14859	4.2
221.15355	42.9
253.07928	3.2
273.00909	2.9
286.19037	2.9
313.95987	3.3
329.21130	3.9
357.76974	3.1
391.26355	4.7
409.27374	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.0
52.68908	0.9
53.00296	1.7
53.03939	4.7
55.01855	1.9
55.05508	21.3
57.07069	9.3
59.04977	2.1
59.85162	0.9
67.05175	1.8
67.05494	21.6
69.03408	9.4
69.07057	7.8
71.04967	2.1
71.11967	1.2
77.03897	1.8
79.05474	34.0
79.05901	2.1
80.06265	1.0
81.03379	1.2
81.07041	41.5
83.04970	2.8
83.08611	1.0
85.06520	2.3
91.05463	48.1
91.06002	2.2
93.07024	60.8
95.04948	50.1
95.08583	29.6
97.06527	8.2
98.85039	1.5
103.05461	4.5
105.04535	2.2
105.07014	100.0
107.04940	1.6
107.08583	29.8
109.06507	14.1
109.10136	7.6
111.08030	1.5
113.40180	1.0
115.05444	4.9
116.06202	1.6
117.07018	17.2
119.08564	63.2
121.06466	20.7
121.10126	17.9
123.08054	19.2
123.11697	1.3
128.06183	8.2
129.06972	12.3
130.07777	8.6
131.08534	25.3
132.09323	1.7
133.06465	4.5
133.10114	18.8
135.08025	13.0
135.11639	1.9
137.05980	1.3
137.09547	7.9
138.64594	1.1
141.06963	6.3
142.07767	16.9
143.08542	24.4
144.09326	7.4
145.06453	2.4
145.10101	38.8
147.08040	19.3
147.11650	24.6
149.09593	8.9
151.07516	18.4
152.59138	1.1
153.06946	2.3
154.07733	1.9
155.08545	11.2
156.09331	9.5
157.10114	19.1
159.08012	7.7
159.11681	15.1
160.08821	1.2
161.09612	7.4
161.13243	2.1
163.11205	1.7
165.06985	1.7
165.09070	26.7
167.08553	5.1
168.09341	4.4
169.10068	12.2
170.10884	5.2
171.11658	11.5
173.09567	6.3
173.13213	6.3
175.11121	11.7
177.09045	1.5
178.07806	1.2
179.08508	4.6
181.10083	5.7
182.10902	1.8
183.11671	11.8
185.09557	2.1
185.13223	6.2
187.11192	2.4
187.14859	1.2
189.12700	5.8
193.10201	4.0
194.10939	2.0
195.11703	7.0
196.12483	1.4
197.13229	2.4
199.11121	2.0
201.12727	5.4
203.14342	7.8
204.54211	1.2
206.10901	1.3
207.11887	1.3
207.13744	5.1
208.12361	1.3
209.13277	2.5
209.15230	1.7
211.11192	2.1
211.14806	4.6
215.14278	1.3
219.13785	2.0
221.13371	1.8
221.15320	44.4
223.14731	1.8
227.14236	2.0
229.15788	1.5
231.13783	1.5
233.15282	1.9
234.16058	2.6
249.16376	2.2
251.14435	1.3
271.16992	1.1
276.89087	1.2
281.18777	1.5
286.19174	2.1
287.20041	2.6
329.21051	2.5
374.28445	1.3
391.26227	5.9
409.27295	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01848	2.3
55.05506	21.1
57.03442	1.0
57.07077	9.7
59.04982	5.6
63.15098	1.0
65.48206	1.2
67.05491	39.5
69.03415	8.3
69.07060	13.7
71.04967	6.9
79.05054	1.6
79.05474	30.4
80.06247	1.2
81.03417	1.4
81.06604	1.8
81.07043	46.0
83.04961	6.7
83.08617	1.8
85.06519	2.8
91.05457	45.4
91.06005	2.3
93.07020	61.9
95.04945	53.3
95.08587	32.2
97.06509	13.5
103.05441	4.9
105.04463	1.5
105.07014	100.0
106.07776	1.7
107.04936	1.6
107.08566	30.5
108.76810	1.1
109.06497	17.1
109.10146	53.8
115.05449	2.6
116.06176	1.6
117.06996	21.0
119.04871	1.2
119.08562	60.8
121.06480	17.6
121.10113	17.7
123.08049	20.8
127.11160	2.2
128.06206	9.7
129.07001	14.7
130.07765	6.7
131.08548	31.6
133.06468	6.5
133.10115	23.9
135.08026	13.0
135.11671	4.7
136.33122	1.2
137.06029	1.2
137.09605	7.4
141.06993	5.2
142.07762	16.0
143.08546	27.4
144.09300	7.9
145.06441	2.2
145.10115	42.6
146.07240	1.2
147.08052	15.3
147.11674	14.2
149.09584	8.5
151.07506	16.6
153.06947	2.1
154.07707	1.8
155.08539	14.7
155.10611	1.6
156.09302	10.8
157.10120	23.6
158.10822	2.1
159.08018	6.0
159.11647	16.8
161.09586	12.5
161.13246	2.9
163.11165	6.6
165.06963	2.3
165.09064	19.0
166.07750	2.0
167.08510	2.8
168.09332	8.0
169.10071	13.5
170.10861	2.8
171.11659	10.9
172.08817	1.9
173.09619	5.0
173.13226	8.7
175.11151	7.4
175.14845	1.2
179.08488	5.1
180.09265	1.5
181.10062	8.4
181.12195	1.8
182.10780	4.7
183.11696	13.2
185.09676	1.3
185.13197	4.9
187.11111	2.9
187.14815	2.8
189.12692	6.0
191.14207	2.0
193.10059	5.6
194.10893	1.5
195.11707	5.3
196.12378	2.5
197.13213	5.9
199.11116	2.0
199.14868	2.0
201.12723	6.1
203.14282	5.6
205.10127	1.5
206.10777	1.9
207.11816	2.8
207.13844	5.8
209.13210	6.0
209.15254	1.9
211.14832	5.4
215.14279	1.4
221.13268	3.0
221.15311	35.4
223.14760	2.2
225.16348	2.0
234.16217	1.6
235.14716	1.7
235.57774	1.2
239.14388	1.5
241.15924	1.8
253.15816	2.1
286.19153	1.3
287.20172	2.6
324.82544	1.3
324.95181	1.4
329.20981	2.5
373.24680	1.4
391.26389	2.5
395.59927	1.3
409.27292	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	409.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	34.5
66.69696	3.7
67.05475	4.4
69.15984	3.6
71.95213	4.3
72.31889	4.0
79.05468	4.4
91.05426	4.9
92.64079	4.5
93.07024	6.5
97.87755	3.9
97.96764	5.0
110.97499	5.1
111.23946	3.3
115.97841	4.6
119.08600	4.4
122.80726	4.1
133.10068	4.9
136.99065	4.0
146.99666	8.6
191.07916	3.6
213.07954	5.5
231.09027	5.5
239.09520	6.1
241.11064	33.1
257.10611	6.3
259.12103	67.7
287.11520	5.6
297.10159	6.4
298.10843	4.4
331.15811	6.6
349.16849	59.5
367.17960	100.0
385.18393	5.5
386.85443	4.6
409.25693	6.2
432.34680	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	409.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.5
54.82473	4.7
55.01855	36.5
55.05501	47.2
55.08770	4.8
56.95826	5.1
57.03421	33.0
65.66112	5.2
67.05500	60.0
69.07047	22.2
71.08617	13.0
79.05479	100.0
81.03402	14.0
81.07051	40.0
83.04965	29.5
83.08588	13.7
85.02912	5.8
89.49426	5.6
91.05468	96.5
93.03342	6.5
93.07027	66.9
95.04959	32.9
95.08590	8.6
97.06512	8.8
104.65630	5.3
105.07026	67.7
107.04925	29.2
107.08591	32.5
107.33847	5.5
109.06499	8.2
109.10176	9.3
111.04442	24.0
117.07005	46.4
119.08540	13.3
121.06511	7.9
121.10141	14.4
129.06979	12.4
131.08563	65.7
133.10077	10.8
135.08052	22.0
139.11163	6.5
143.08548	9.0
145.10147	24.8
147.07971	8.6
149.09631	21.6
159.06555	5.7
169.10065	7.1
173.09554	6.3
187.11206	9.4
219.60817	6.2
265.14133	9.2
299.20047	6.6
326.33594	6.4
409.25842	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81813	0.2
69.07051	0.4
85.02887	0.5
85.06526	0.6
92.09335	0.3
95.08583	0.4
97.06533	0.4
103.21094	0.3
107.08564	0.4
109.10136	1.4
109.67855	0.3
119.08583	0.3
120.04652	0.3
123.11621	0.3
133.10143	0.3
135.11655	0.3
136.12001	0.3
142.11275	0.3
147.04362	0.3
153.12726	0.3
163.03911	0.5
167.14343	0.3
211.16853	2.5
212.17296	0.6
214.30290	0.3
220.75412	0.3
247.09531	0.4
247.13019	2.9
249.72987	0.3
318.09149	0.3
339.95197	0.3
409.18243	100.0
410.18982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81604	1.9
56.96564	17.1
57.90671	1.6
67.26263	1.5
69.95915	1.6
80.75419	1.9
91.05487	2.3
108.62189	1.8
116.98554	2.6
128.98613	4.4
134.99648	2.4
146.99669	2.5
161.01273	2.5
183.11778	1.9
185.04898	3.7
199.06583	2.3
203.05894	8.1
237.04245	2.7
239.09439	2.7
255.05301	2.4
255.09079	3.1
257.10526	2.5
273.09976	2.8
281.10483	2.2
331.15796	33.2
349.16833	100.0
367.14267	2.2
367.17926	24.2
385.15594	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	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.4
53.03928	3.3
55.01865	7.2
55.05498	17.3
56.02495	2.4
57.03427	5.0
57.07057	4.1
58.76462	3.1
59.59386	2.6
64.21323	2.9
67.05501	24.2
67.18225	3.1
69.03413	13.5
69.07059	67.6
71.04987	7.4
74.52789	3.2
79.05469	15.2
81.03379	4.8
81.07047	30.5
83.08600	12.0
83.72388	3.1
84.04475	12.1
85.02892	27.5
85.06528	7.4
91.05460	66.2
93.07037	32.0
95.04964	41.0
95.08582	61.5
95.48925	3.0
97.02860	6.4
97.06500	14.4
97.10115	3.2
101.69745	3.1
103.05462	24.4
105.03375	7.5
105.07013	28.3
107.04908	4.0
107.08578	69.8
109.02898	3.5
109.06516	24.3
109.10147	91.7
110.07153	3.2
110.58044	2.9
111.04382	4.0
111.08028	3.1
115.07565	26.0
116.01697	3.4
118.01315	3.3
119.04926	68.2
119.08548	63.4
121.06459	15.0
121.10109	80.4
123.04388	21.2
123.08043	23.6
123.11720	27.1
124.05183	33.4
125.05984	4.1
125.09554	7.7
127.03889	16.4
131.04887	19.9
131.08524	4.4
133.02785	4.2
133.06465	4.4
133.10129	67.1
135.11687	44.9
137.05969	38.5
137.09579	31.2
137.13242	14.4
137.77837	3.3
145.04898	3.9
145.99333	3.1
147.04407	31.2
147.08043	4.3
147.11665	13.1
149.05959	17.6
149.13229	46.6
151.07553	32.0
151.11180	6.1
151.14799	6.8
161.05975	5.3
163.24808	3.5
165.09050	4.4
165.16367	5.9
175.14778	75.5
177.05502	4.7
179.06987	26.5
180.07742	12.5
193.04950	27.0
193.12212	4.9
193.15862	100.0
211.13266	5.3
214.10623	3.1
219.06526	4.7
223.09729	3.1
229.10779	3.6
261.10757	3.9
277.12955	5.5
323.08978	4.3
409.11212	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71866	1.3
55.05501	9.4
57.03421	3.0
67.05486	11.0
69.03435	6.6
69.07049	7.2
79.05479	2.5
81.07024	16.1
83.08615	2.8
85.02895	17.9
85.06528	7.7
91.05469	8.0
93.07031	21.2
95.04937	3.4
95.08583	26.0
97.02880	3.5
99.08083	28.5
105.07024	15.1
107.08583	28.0
109.02860	1.9
109.06492	3.0
109.10151	44.2
119.08579	42.2
121.10130	15.6
123.08048	7.5
123.11692	9.4
131.08574	2.8
133.10120	100.0
135.11685	54.5
137.09605	15.9
147.11682	4.5
149.13258	3.3
151.11168	2.0
151.14719	2.8
175.14796	73.0
176.35527	1.7
177.16362	8.7
193.15865	46.8
206.93811	1.9
211.16934	17.0
229.56447	1.7
231.04182	1.8
289.08090	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67714	0.9
52.17404	0.9
55.01870	2.0
55.05505	10.1
55.83013	0.9
57.03422	5.1
57.07056	1.7
57.82784	1.0
59.04988	1.7
61.02924	2.0
61.53810	1.0
64.90839	1.0
67.05495	14.3
69.03410	8.8
69.07056	33.1
71.04974	13.3
79.05483	10.9
81.03398	2.5
81.07041	28.9
83.05003	1.5
83.08605	17.7
85.02895	22.0
85.06531	6.0
85.49375	1.0
90.81266	1.0
91.05467	13.7
92.10419	1.0
93.07024	26.6
95.04953	5.9
95.08589	47.2
97.02867	5.5
97.06514	29.7
97.10143	1.8
99.04421	11.2
105.07019	20.1
107.08585	34.0
109.06506	25.7
109.10149	58.8
109.93594	1.0
111.08072	6.7
111.11709	5.6
115.07559	13.2
119.08572	36.9
121.10130	15.8
122.03635	1.3
123.08055	14.2
123.11686	19.1
125.09566	2.2
127.03873	2.5
127.11160	2.4
129.07022	1.6
129.76259	1.1
130.83585	1.0
133.10110	77.1
135.11673	59.0
137.05992	1.4
137.09610	10.7
137.13274	1.4
147.04404	1.8
147.11682	10.4
149.12172	1.2
149.13261	26.4
153.12726	4.2
154.62473	1.3
158.20877	1.1
161.71614	1.2
162.02237	1.6
175.14796	83.1
177.16330	2.6
193.15866	81.4
211.13518	3.1
211.16916	100.0
223.38744	1.1
229.17998	2.1
282.07483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
54.41998	0.6
55.01663	0.6
55.01868	9.2
55.05500	2.9
57.03427	5.3
61.02908	8.1
67.05479	1.8
68.99762	4.1
69.03416	41.3
69.07056	5.4
70.06615	0.7
71.04962	5.4
73.02895	8.9
79.05486	1.0
81.03404	28.9
81.07032	1.7
83.08591	2.9
85.02891	100.0
87.00813	47.6
87.01210	0.8
87.01357	0.9
91.03915	1.2
92.09261	0.7
93.07043	1.1
97.02257	1.3
97.02872	30.6
97.06492	1.1
99.04435	15.6
105.01159	1.2
105.01846	32.2
108.04401	1.1
109.02135	1.3
109.02865	27.7
115.03901	0.9
117.01829	3.5
117.07029	0.7
126.05513	1.2
127.03896	50.8
129.01830	3.7
145.04935	18.7
159.02864	13.3
181.12061	0.8
183.13750	0.8
189.03928	1.6
197.83418	0.8
213.03954	1.3
231.04967	12.5
248.07587	1.1
249.05980	4.8
250.24246	0.8
251.16397	1.7
270.35379	0.8
318.92056	0.9
337.16309	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.6
55.01859	16.6
55.05504	6.6
56.09969	2.8
57.03425	7.8
61.02912	5.4
65.25880	2.6
66.96326	2.9
67.05475	3.8
69.03413	34.4
69.07031	2.9
71.04960	4.2
73.02917	8.3
75.05856	3.0
81.03391	33.1
81.07031	7.7
83.08587	13.3
85.02892	100.0
86.09647	3.6
87.00822	40.9
93.07010	4.0
97.02875	42.8
98.14613	4.0
99.04412	16.8
105.01834	23.4
105.07016	5.8
108.04472	5.9
109.02856	29.5
112.88751	3.2
119.08564	5.4
121.10114	4.1
123.11718	4.7
124.56162	3.3
127.03893	49.3
136.12466	3.6
137.05949	4.4
141.32083	3.9
143.10619	15.7
145.04935	26.8
147.04311	3.5
147.11623	13.2
159.02872	19.1
165.12781	4.4
199.84959	3.4
231.04939	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.0
55.01866	12.6
55.05497	2.9
56.96548	1.9
57.03433	9.8
61.02930	10.0
62.21720	1.3
62.66724	1.3
65.08186	1.3
67.05504	1.9
68.99771	5.3
69.03417	38.7
69.07063	2.1
70.68352	1.5
71.04974	6.9
73.02908	10.3
79.05478	2.2
81.03401	41.6
81.07042	5.6
83.04958	1.4
83.08588	5.8
83.18244	1.3
85.02890	100.0
87.00814	47.9
91.03918	2.3
91.05459	2.9
95.08577	2.7
97.02868	50.5
97.06510	3.4
97.10151	1.3
99.04429	14.1
105.01844	38.2
105.03372	1.8
105.07018	8.9
106.83125	1.4
107.08601	1.7
108.04456	8.8
109.02864	35.5
117.01837	7.7
119.04877	1.6
119.08575	1.7
123.11695	2.4
126.05496	2.3
127.03896	58.2
129.01836	5.6
137.05945	7.3
145.04948	19.7
147.04402	2.0
147.11673	13.1
159.02856	20.2
161.05940	2.5
175.11209	2.7
193.12299	5.8
211.13213	8.2
213.03909	2.7
229.14304	6.9
231.04976	11.9
248.07547	2.9
249.05923	1.9
261.13217	1.7
271.02499	2.3
272.02704	7.4
380.29166	1.4
408.07773	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68878	0.4
57.03434	5.1
59.87180	0.5
61.02885	0.8
65.03916	0.6
69.03403	3.0
75.04457	1.2
76.56627	0.5
78.14384	0.4
81.03384	2.1
85.02885	9.6
93.03383	0.5
94.04156	0.8
96.17537	0.5
97.02861	3.4
99.04420	0.7
107.04919	0.5
109.02850	1.0
110.03642	2.3
111.04429	1.2
122.03619	6.7
123.04400	0.7
125.05963	6.1
127.03876	3.4
135.08063	0.5
137.02301	3.6
137.05954	100.0
140.04671	6.7
145.04948	0.9
147.04399	0.7
163.03789	1.0
163.07500	1.2
191.26587	0.6
191.73169	0.5
199.09554	0.8
211.09637	9.8
219.08636	0.7
222.30287	0.5
229.10594	5.6
373.14941	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	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03729	0.6
53.03942	12.3
55.01627	0.8
55.01867	16.5
55.05501	0.8
57.03429	10.4
60.04515	1.0
61.02917	9.3
68.99774	4.1
69.00101	0.5
69.03416	44.2
69.07041	1.4
71.01321	0.5
71.04970	6.8
73.02902	15.8
77.26211	0.5
79.05447	0.9
80.04982	0.5
80.20356	0.5
81.03400	43.4
83.01315	2.1
83.04951	0.5
85.02892	100.0
86.92142	0.5
87.00814	59.2
87.04436	0.9
90.03709	0.5
91.03927	4.6
97.02874	65.7
98.06042	1.1
99.04437	23.0
101.02368	0.6
105.01852	44.7
108.04472	5.6
109.02866	43.7
115.03925	1.0
117.01842	7.8
121.10079	0.6
125.09612	0.7
126.05479	3.0
127.03897	64.8
129.01825	6.8
143.10587	0.7
144.06651	0.7
145.04945	28.2
147.02875	3.0
159.02858	21.5
177.03946	1.3
213.03987	4.6
230.06555	0.7
231.04965	12.0
248.07683	2.0
249.05943	3.0
298.35327	0.6
405.67532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.1
69.03408	1.0
69.07053	2.3
69.70462	0.5
70.06561	1.0
72.08140	100.0
75.36644	0.5
75.55540	0.4
84.04491	0.8
84.08096	0.5
85.02867	1.0
86.09690	55.2
87.04468	0.5
88.72263	0.6
97.02892	0.6
116.07080	2.3
118.08635	37.6
130.08646	1.1
132.10185	19.0
132.11209	0.8
137.05992	1.2
165.05449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58393	0.1
55.95929	0.1
58.06588	0.1
67.92941	0.1
69.03436	0.2
69.06673	0.1
69.07054	7.3
86.09691	100.0
87.10033	0.3
89.12046	0.1
97.02895	0.3
100.25996	0.1
115.03891	1.1
132.10182	34.4
132.24644	0.1
141.72150	0.1
182.64914	0.1
198.24902	0.2
203.93872	0.2
254.35339	0.2
407.41791	0.2
430.16660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
55.05498	2.6
55.56942	1.3
57.03426	4.0
58.99567	3.9
64.25407	1.3
64.83464	1.5
67.05480	4.0
67.23928	1.6
69.03410	8.5
69.07047	9.2
71.04977	3.1
75.01398	5.8
76.02198	3.8
79.05463	7.1
79.70721	1.5
81.03420	2.0
81.07043	16.6
83.04974	6.6
85.02899	10.4
85.06521	2.6
86.09698	2.6
86.99036	2.2
87.00760	1.6
87.31782	1.5
91.05454	26.1
93.07031	11.5
95.04942	7.4
95.08589	15.0
97.06513	3.5
103.05477	7.3
104.52301	1.7
105.07011	17.6
107.04919	1.8
107.08584	12.6
109.02884	2.5
109.06501	3.7
109.10135	11.3
111.04497	2.0
111.87466	1.7
115.05440	3.7
116.01655	8.4
117.06974	2.1
119.04906	26.2
119.08546	15.0
119.69272	1.5
121.06480	2.4
121.10124	8.9
122.03625	2.9
123.04399	3.1
123.08089	2.7
123.11703	3.5
125.09554	2.2
127.03922	3.3
130.04071	6.1
131.04945	6.5
131.08540	2.1
133.02846	9.4
133.06468	3.9
133.10112	26.8
135.04385	8.3
135.11667	8.2
137.05956	50.4
137.09579	2.1
143.04875	1.9
145.06471	9.1
145.10075	1.9
147.04401	34.9
147.11717	3.9
149.05975	3.8
149.13249	2.3
150.06717	14.7
151.07520	3.8
151.11215	2.1
153.01819	4.2
158.03600	8.2
161.05923	14.5
162.02150	2.3
162.06741	20.7
167.14252	2.2
173.05972	20.8
175.03862	9.4
175.11150	2.0
175.14803	30.2
178.07599	1.7
179.06964	2.2
185.06339	1.6
186.03113	3.3
187.59814	1.8
193.12302	3.1
193.15826	11.2
194.07329	2.6
201.05440	100.0
205.06482	11.4
210.43550	1.9
211.13176	2.8
211.16849	6.9
213.05502	2.0
219.06424	13.6
221.05911	3.9
222.06667	3.0
225.09048	4.0
231.06448	2.5
233.05884	7.3
234.06685	2.4
235.07666	2.5
237.09048	8.7
243.11261	1.7
250.06253	3.2
253.08588	8.3
262.06134	2.2
265.08624	9.5
267.06241	2.7
281.08112	2.1
292.07297	4.1
293.08069	7.9
295.09546	2.0
297.11218	2.4
307.09570	7.9
323.09067	11.2
325.10648	32.8
337.10736	6.8
343.11771	9.8
354.12689	1.8
355.11719	29.9
373.12790	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37864	2.4
53.57195	2.2
54.01849	2.4
54.81590	2.5
55.01860	5.4
55.05500	14.6
57.03438	4.0
57.07061	4.7
57.25421	3.0
59.05007	2.7
59.64533	3.2
65.09617	3.0
67.05493	23.7
69.03422	34.2
69.07050	34.4
71.04980	18.4
77.91281	3.4
79.05485	17.9
81.03401	16.5
81.07043	42.3
83.04964	6.9
83.08593	24.1
84.65701	3.1
85.02886	49.4
85.06546	5.5
86.09687	5.4
87.00826	5.0
91.05466	33.0
93.07047	30.6
95.04954	22.8
95.08590	35.4
97.02890	20.1
97.06508	20.9
99.04429	7.7
105.07021	29.5
106.07333	3.6
107.04956	6.3
107.08584	31.6
109.02869	6.1
109.06517	15.1
109.10140	70.5
111.08112	4.4
115.05445	6.4
119.04950	20.5
119.08581	35.9
120.08107	7.0
121.06502	13.4
121.10092	22.3
123.08076	4.6
123.11727	6.4
125.09635	15.2
127.03921	19.2
127.11180	4.4
131.04929	3.9
131.08559	5.5
133.06470	4.0
133.10100	44.7
135.11679	27.7
137.05945	62.5
137.09485	4.4
137.13280	3.8
139.11145	4.2
143.04944	13.5
143.10677	12.6
145.04938	12.1
147.04405	36.7
147.11673	13.5
148.04768	19.8
149.05969	31.1
149.13257	4.1
151.07590	10.5
151.11180	5.5
153.06993	14.3
159.02849	3.3
161.05940	34.7
162.06714	6.2
163.07568	4.9
165.06987	20.0
165.16258	3.5
175.07527	20.7
175.11183	3.4
175.14824	38.9
177.05490	5.6
178.07808	5.5
179.08594	4.2
181.06396	33.2
184.80235	3.2
184.98419	3.2
191.08475	6.5
193.06505	26.0
193.12259	5.7
193.15858	60.4
194.07178	4.6
195.08092	5.1
201.05568	3.2
205.06505	6.1
207.08064	12.0
209.05995	4.8
210.06778	13.3
211.13268	18.4
211.16949	18.2
213.09081	25.4
218.07431	4.7
219.08170	11.8
221.05933	34.0
222.06801	7.2
222.78108	3.6
223.07516	4.4
224.08348	4.5
225.09071	45.3
231.04997	6.7
233.05984	4.8
235.07570	5.4
238.06277	7.5
239.10558	5.4
241.08525	28.4
247.07516	5.8
251.07106	3.6
251.10736	3.6
252.07816	3.7
253.06076	5.9
253.08534	67.5
254.09151	4.1
265.08563	13.0
267.09970	11.8
273.11035	12.4
279.10086	4.2
281.08112	33.5
281.10999	5.8
284.10538	5.8
285.11252	30.0
295.09497	14.3
299.12793	24.4
301.10602	16.3
307.09540	4.7
310.12027	11.1
313.10675	20.5
323.09213	13.5
325.10760	33.9
343.11734	86.7
355.11731	100.0
373.12708	19.1
427.21750	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	407.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.9
57.07058	5.3
67.05492	35.5
69.07045	29.3
71.04968	5.7
79.05461	26.7
81.07027	48.7
91.05455	24.8
93.07030	36.2
95.08579	37.3
105.07024	46.6
107.08574	27.4
109.06491	100.0
109.10151	5.9
113.00005	84.9
117.06968	5.2
119.08566	53.6
121.10105	8.5
131.08548	10.0
133.10104	23.8
135.08032	10.1
135.11629	8.3
143.08572	19.6
145.10114	24.9
146.77773	5.3
147.11736	6.9
155.08585	6.4
155.69708	5.9
157.10094	18.9
159.11658	20.4
164.19934	5.0
169.02617	49.6
169.10034	6.7
171.11574	17.2
183.11658	5.5
222.13634	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	408.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26720	0.1
62.47210	0.1
63.09388	0.1
75.50121	0.1
79.25158	0.1
79.60650	0.1
80.24100	0.1
84.70220	0.1
91.09229	0.1
98.34187	0.1
98.97536	0.1
101.00831	0.7
119.01069	0.3
119.01903	7.1
129.08673	0.1
137.02933	3.0
153.00929	0.4
158.99892	0.6
175.02942	0.3
177.00919	18.1
178.01003	0.3
182.99760	0.2
193.04059	0.3
195.02040	0.3
201.00873	0.8
205.49651	0.1
217.04068	3.7
219.01970	32.5
220.02133	0.6
225.00754	1.6
227.51350	0.1
229.82761	0.2
234.32098	0.2
243.01894	5.7
261.03009	100.0
262.03229	2.1
263.03049	0.8
265.02835	0.2
275.04651	0.2
277.00919	0.2
277.74200	0.2
279.00476	0.2
284.04572	1.8
301.00943	1.3
302.01129	0.2
303.00867	0.6
305.00699	0.2
343.01602	0.2
367.02087	1.0
385.03079	9.4
403.04123	13.6
404.04346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2273
Annotation	Euodionoside D
Peak:m/z	Relative Intensity
55.01845	2.5
55.05502	47.1
55.79097	2.4
59.04964	4.2
67.05491	24.5
69.03403	11.6
69.07050	4.9
71.04977	4.0
76.99854	3.0
79.05479	6.0
81.03368	4.5
81.07037	18.8
83.04961	40.7
85.02898	27.9
85.06522	3.7
86.09662	3.4
91.05449	5.3
93.07027	20.9
95.04948	97.8
95.08578	19.5
97.02869	6.7
97.06516	4.1
97.76528	2.8
98.97550	3.1
99.04424	6.6
99.08058	16.7
101.06002	35.6
105.06993	20.1
107.08560	46.8
109.06515	5.3
109.10141	50.4
119.08564	72.4
121.10103	27.1
123.04424	3.0
123.08025	6.5
123.11671	4.1
125.09621	6.2
127.03901	6.5
133.10098	16.8
135.11691	6.5
137.09587	48.5
147.04375	5.2
149.09596	6.4
151.11139	14.5
155.10684	11.1
161.13222	49.2
163.03842	4.9
163.14763	5.7
170.75688	3.0
173.13251	7.0
179.14262	11.8
191.14302	20.2
209.15321	70.4
227.16379	100.0
245.17419	25.4
402.69397	3.4
430.30066	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	407.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01864	0.8
57.03434	1.5
59.05007	0.6
61.05125	0.7
69.03413	0.8
70.06563	0.9
70.19616	0.6
73.09454	0.7
73.64947	0.7
80.05000	62.3
85.02892	43.3
86.09667	0.7
87.04456	2.8
97.02859	0.9
98.06043	0.9
103.03925	0.8
106.06548	4.4
106.91983	0.7
108.08105	0.9
120.08062	1.0
123.04363	1.8
124.04731	1.3
124.07535	0.9
127.03864	0.9
131.03377	4.5
136.07538	5.4
150.05467	1.3
163.03952	0.8
164.07043	4.0
164.44894	0.9
180.63379	0.7
182.08057	1.6
189.07596	0.7
210.07585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42887	0.3
53.03919	0.5
54.82058	0.4
55.05493	0.9
57.03431	0.6
64.42406	0.4
67.05487	0.7
69.03416	44.1
69.07023	0.4
71.04955	0.7
74.09505	0.4
79.99675	0.4
81.03399	5.0
81.07030	0.9
83.04967	3.3
85.02891	2.1
91.05458	10.2
92.09284	0.8
95.04967	0.5
95.08581	1.0
97.02872	7.6
99.04434	5.8
101.05978	0.4
105.06992	0.8
107.08547	0.6
111.04439	0.5
112.36271	0.4
119.04918	27.6
119.08604	0.6
121.10116	0.6
123.09356	0.4
127.03887	1.0
134.03398	0.4
147.04391	100.0
151.90543	0.4
165.05458	2.0
191.14261	0.8
207.99510	0.5
265.85983	0.5
291.08505	1.0
303.13995	0.5
309.09616	3.3
312.60068	0.4
347.18762	0.4
389.12219	0.8
407.13025	3.5
410.58792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1335
Annotation	Oxyresveratrol 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	2.7
54.83701	1.6
55.01860	3.8
55.05502	3.3
55.54600	1.3
57.03427	6.4
61.02908	2.7
61.48959	1.3
61.69233	1.4
67.05492	7.3
69.03413	20.4
69.07050	3.2
71.01335	2.3
71.04980	10.7
79.05488	8.1
81.03397	11.6
81.07030	15.0
83.04964	4.0
85.02892	41.8
86.09692	2.9
87.00797	2.7
91.05469	3.6
93.07046	6.2
95.04966	6.6
95.08591	3.1
95.83643	1.8
97.02884	13.0
99.04427	3.1
101.55466	1.6
105.07006	3.2
107.04942	75.1
107.08585	6.6
109.02881	15.9
109.06486	2.3
109.10138	3.6
111.04436	2.8
111.84166	1.5
119.04958	5.5
121.02853	2.9
121.10130	3.9
123.04391	16.0
123.08090	2.4
123.11723	4.0
127.03893	4.0
129.06940	2.8
131.04919	2.0
131.08536	2.7
133.10117	3.8
134.12527	1.8
135.04402	67.1
135.11603	2.3
136.05179	19.6
137.06035	5.9
137.09627	3.0
138.05505	2.9
141.06885	1.7
143.08453	2.0
145.04967	3.5
147.04401	10.8
147.11629	1.8
149.09677	2.3
149.13268	2.6
151.11215	2.8
152.06129	2.1
153.06972	12.7
157.06470	3.7
161.06001	3.6
163.03891	2.9
167.08485	2.3
169.06509	2.0
171.07993	2.5
173.05943	1.9
173.13254	2.4
181.06459	18.9
185.06044	1.6
191.14223	5.9
192.52797	1.6
199.07542	25.5
209.05951	7.1
209.15388	7.0
210.15645	1.9
223.07458	1.7
227.07004	11.0
227.16400	10.2
228.16753	2.7
245.08043	100.0
257.08102	3.3
269.08148	1.8
332.94653	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	407.1335
Annotation	Oxyresveratrol 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.60492	1.3
53.03933	2.6
55.01861	6.9
55.05498	8.6
56.39491	1.4
57.03435	4.1
57.63100	1.4
58.34497	1.5
61.02913	2.6
64.67088	1.3
67.05501	9.5
67.65488	1.6
69.03076	1.8
69.03421	31.9
69.07047	6.6
70.03754	1.7
71.04974	10.4
79.05462	8.6
81.03402	8.7
81.07042	18.4
83.04965	10.9
85.02889	38.2
85.06536	2.4
87.04473	2.5
91.05440	8.6
93.07040	17.5
95.04948	13.0
95.08585	14.9
97.02869	14.8
97.06540	7.6
99.04453	3.7
99.08097	2.2
105.07018	14.0
106.07352	3.1
107.04945	74.3
107.08587	38.1
108.08908	8.3
109.02878	13.0
109.06512	46.3
109.10133	12.7
110.06833	4.1
111.04433	6.7
111.08059	3.0
117.06994	3.9
119.04920	8.7
119.08569	13.2
121.02849	2.6
121.06489	1.8
121.10142	28.1
122.10445	3.7
123.04382	10.4
123.08059	7.2
123.11683	10.0
124.11994	2.4
125.09586	2.8
127.03867	4.1
129.07033	2.6
131.08559	11.8
132.08939	2.8
133.10098	28.8
134.10454	3.1
135.04385	64.5
135.08003	11.8
135.11661	8.6
136.05220	18.2
136.08383	2.5
137.02313	15.1
137.05978	3.3
137.09628	3.2
137.13208	2.2
138.02629	7.5
139.07509	2.3
139.11160	2.4
143.08542	3.8
145.04933	3.7
145.10101	3.0
147.04402	24.9
147.11691	9.9
149.09619	9.5
149.13223	13.2
150.13596	2.5
151.03807	3.1
151.11191	12.5
153.06993	12.8
157.06442	3.5
161.05972	6.3
163.03824	7.7
163.07492	3.9
163.14772	7.9
164.04221	2.9
164.07852	2.9
165.12807	1.9
167.07002	12.1
167.10658	7.9
167.14316	2.5
168.07268	5.1
169.12228	8.9
171.08028	2.5
173.13240	18.8
174.13512	6.6
175.14742	6.9
181.06438	16.4
191.14253	22.0
192.14674	8.3
199.07526	34.0
206.80853	1.8
209.06041	4.0
209.15353	19.7
210.15691	6.8
227.06947	9.9
227.09142	6.8
227.16376	32.3
228.09476	3.1
228.16779	14.8
245.08040	100.0
257.34952	1.7
293.24832	1.7
312.02905	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	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.4
56.96560	1.0
57.07064	8.5
58.06585	1.9
61.02913	1.5
63.65843	0.7
67.05497	1.8
69.42282	0.7
70.01910	0.8
70.06580	31.0
70.55829	0.7
71.08617	4.4
72.08139	3.5
79.05479	1.0
81.07030	1.6
84.08122	6.1
85.10210	0.9
86.09702	7.2
88.07611	4.0
91.05501	1.3
93.06992	1.3
114.09164	1.7
116.69424	0.7
119.08547	0.7
123.51559	0.8
124.26050	0.8
132.10182	9.4
136.14877	0.8
146.11729	11.9
161.72520	0.8
176.12764	1.4
190.14328	3.0
212.23708	4.1
238.25266	2.0
256.26343	4.3
300.28912	61.5
305.49512	0.8
317.25031	0.9
340.48135	0.9
344.31531	27.3
405.99350	0.8
406.35220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.48514	0.6
55.05507	1.1
57.03439	0.6
57.07066	2.8
61.53430	0.6
63.19291	0.5
67.05499	3.6
69.03416	1.5
69.07055	1.2
71.04954	0.9
79.05457	1.0
81.07035	8.9
82.07361	1.2
85.02905	3.7
85.06539	19.9
86.06866	2.7
91.05475	1.2
93.07022	7.4
95.08588	7.0
96.08913	0.7
97.02868	0.8
97.06468	0.9
99.04436	2.4
99.08089	1.2
105.07015	0.9
107.08601	10.0
108.08900	2.9
109.06440	0.7
109.10129	1.4
111.08051	0.8
121.10136	7.3
122.10482	1.3
123.11674	8.8
124.12038	3.0
131.08650	0.7
135.08025	1.2
139.07562	0.9
149.09599	0.8
149.13271	8.2
150.13647	2.2
150.97026	0.6
151.11127	0.7
153.09079	1.6
171.00491	5.4
185.04175	2.1
189.01581	0.8
191.14252	1.2
192.14560	0.8
209.15341	5.2
210.15749	1.5
227.16422	3.1
228.16733	1.0
245.07816	100.0
254.47586	0.6
338.83832	0.6
356.11346	0.7
404.66113	0.7
407.13071	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42929	0.5
53.03923	2.1
54.90420	0.4
55.01864	1.3
55.05496	4.6
57.03421	3.1
57.07066	1.0
59.04981	0.6
61.02905	2.5
64.90830	0.4
67.05502	5.9
69.03414	9.1
69.07053	5.3
70.06556	0.6
71.04987	4.7
74.60464	0.5
79.05470	4.4
81.03404	6.5
81.07037	11.4
82.03713	1.2
82.07346	0.7
83.04976	4.0
83.08583	2.3
85.02890	19.7
85.06522	2.7
85.17511	0.5
86.03242	2.1
87.00797	4.1
89.06005	0.6
91.05463	3.8
93.07027	14.1
95.04958	2.9
95.08591	10.2
96.73766	0.5
97.02856	4.1
97.06512	100.0
99.04430	2.9
99.08086	0.9
103.03889	0.8
105.01826	1.3
105.07014	13.1
107.04948	0.6
107.08583	32.3
108.08115	2.4
109.02856	3.5
109.06492	12.4
109.08447	2.2
109.10138	12.6
110.03176	0.5
111.08060	6.4
113.09620	0.6
119.08566	10.3
121.06490	2.4
121.10123	50.3
122.05922	0.7
122.74944	0.5
123.08042	4.4
123.11681	6.2
125.06035	1.7
125.09625	0.6
126.05458	1.0
126.06324	0.7
126.09144	0.9
127.03911	4.2
127.05771	0.5
128.04257	0.8
131.08524	9.8
133.10106	19.0
135.08035	3.6
135.11649	5.0
135.71843	0.6
136.07550	2.6
137.07883	3.0
137.09584	3.9
137.13261	0.8
139.07458	1.0
139.11131	2.8
140.07005	1.1
141.07416	0.9
145.04994	0.9
145.10114	3.2
147.04369	1.0
147.11667	9.0
149.09612	9.9
149.13237	24.6
150.09143	0.5
151.09404	0.6
151.11160	12.3
152.07022	8.4
153.07396	6.9
153.09093	2.1
154.08629	0.6
158.10884	2.5
161.13161	1.1
163.14819	6.8
164.07025	3.5
165.07388	3.6
165.12762	0.8
167.10663	2.4
168.95554	0.5
169.12212	8.1
173.13222	15.8
178.08534	0.6
179.08868	1.1
182.08109	10.0
183.08424	11.7
191.14276	24.9
193.10519	1.1
206.08125	1.0
207.08409	3.7
209.15331	19.0
221.09946	1.0
227.16382	45.6
248.09064	4.8
249.09499	11.7
287.02386	0.5
309.11652	1.1
335.09390	1.2
353.10550	1.2
422.94540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19743	0.6
53.03933	0.7
54.82144	1.0
55.01878	1.1
55.05504	3.5
57.03425	1.7
58.57610	0.8
61.02909	1.6
67.05502	3.8
69.03413	27.1
69.07050	5.1
70.47590	0.7
71.04976	4.3
73.02899	1.3
75.84266	0.7
77.54383	1.0
77.57808	1.0
79.05463	3.5
81.03398	5.1
81.07043	14.6
83.04964	4.6
83.08587	1.5
85.02892	20.8
85.06535	5.7
86.49657	0.8
91.03960	1.0
91.05459	10.9
92.05798	0.8
93.07030	19.0
95.04942	5.1
95.08584	20.7
97.02861	6.9
97.06527	4.6
99.04440	5.0
99.08089	3.3
100.97795	0.8
105.07005	25.7
105.07648	1.4
105.36401	0.8
107.08585	22.3
109.02842	1.5
109.06522	3.3
109.10127	8.6
111.08080	1.6
117.06940	1.2
119.04909	13.9
119.08562	26.0
120.05237	2.0
121.06506	1.3
121.10114	28.9
121.10970	1.3
123.03617	0.8
123.08064	3.5
123.11677	1.9
125.09637	1.4
127.03883	3.8
127.04869	0.7
129.07021	1.2
131.08548	27.0
133.10107	100.0
135.08038	4.9
135.11685	6.2
137.09644	1.5
139.11217	1.3
140.93449	0.7
143.08621	1.2
143.23531	0.9
144.09219	1.0
145.04962	4.1
145.10141	7.1
147.04391	45.8
147.07956	1.0
147.11604	6.6
148.04745	9.3
149.09593	17.9
149.13264	6.0
149.14325	0.9
151.11162	40.1
151.12331	1.8
158.10864	5.9
161.13220	35.4
163.05986	1.1
163.14758	9.5
165.12778	1.8
167.03418	1.0
173.13220	48.4
179.14311	8.3
184.72681	0.8
191.14276	42.1
197.15273	6.4
208.14163	0.9
209.15350	37.3
210.16101	0.8
227.16379	11.3
261.90533	0.9
309.09686	1.6
370.59912	1.0
371.20544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69958	0.6
70.60801	0.6
79.05482	1.6
80.04986	0.6
88.16263	0.6
89.48149	0.6
94.06537	1.3
103.05452	0.7
106.06539	6.9
107.07320	23.7
108.08091	5.4
118.06551	0.9
120.04467	2.6
120.08083	33.0
121.08883	2.7
122.09637	1.1
134.05963	0.8
138.09146	3.1
158.05983	1.0
158.09647	1.5
159.09180	2.8
162.05470	12.2
168.08003	1.2
169.08875	1.5
170.09744	0.9
173.10735	5.3
174.11487	1.6
183.10478	2.9
185.36682	0.7
186.11417	1.0
187.12329	3.6
198.09090	5.1
198.12805	4.5
199.08601	9.4
199.12248	1.1
200.09436	3.5
200.13051	1.1
201.13765	5.2
212.10794	1.1
213.10223	5.7
214.10965	7.2
215.11760	34.9
215.15315	17.1
226.12276	5.5
226.14418	1.3
227.11591	8.3
228.12514	14.7
229.13324	44.7
241.13367	0.8
243.14877	100.0
244.15654	14.7
245.16460	1.1
285.03860	1.1
286.04242	3.1
357.72324	0.6
364.20172	2.9
406.21179	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.31701	0.5
55.01867	1.0
55.05507	6.5
57.03437	1.6
57.06805	1.1
57.07066	15.3
59.04993	0.7
61.02911	3.2
67.05493	22.2
69.03413	7.7
69.07050	12.8
71.04981	4.3
71.08627	0.7
73.02893	0.8
74.20117	0.5
76.94634	0.6
79.05476	7.9
81.03410	3.9
81.07040	46.3
83.04969	1.6
83.08610	2.6
85.02897	22.2
85.06530	100.0
86.02599	0.7
87.00809	3.2
91.03971	0.7
91.05461	4.8
92.08664	2.0
93.07027	37.8
95.04932	0.9
95.08585	39.9
96.08924	0.7
97.02879	7.5
97.06523	6.8
97.10175	0.8
99.04434	11.1
99.08070	8.4
101.05988	3.8
105.01883	1.3
105.07025	6.6
107.08578	51.8
109.02892	2.7
109.06486	5.1
109.10133	13.1
111.08076	4.4
111.11702	2.7
115.07545	0.9
117.05499	1.6
119.08575	2.8
121.06449	2.3
121.10126	37.5
123.08041	4.0
123.11684	69.8
127.03898	6.3
127.07532	3.5
127.11124	0.7
131.08566	1.4
133.10072	6.7
135.08037	7.9
135.11691	3.8
137.09584	1.1
139.07507	13.3
140.14381	0.7
141.09097	0.8
145.04941	2.8
147.11723	4.5
149.09578	3.6
149.13237	41.1
150.02652	0.9
151.11156	6.9
153.09094	12.1
157.08510	1.2
163.14743	6.1
164.63719	0.6
167.10652	2.6
167.14424	0.8
171.00520	1.1
173.13269	7.7
176.52869	0.6
181.15863	0.9
191.14304	12.2
209.15337	31.9
227.16391	26.3
242.59659	0.6
245.07805	24.8
257.33984	0.8
325.91006	0.7
407.13062	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	406.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03432	2.2
66.51427	1.6
73.25556	1.6
79.05490	2.0
81.07006	2.2
85.02898	2.3
93.06990	2.3
94.06546	1.6
97.06529	1.9
98.05381	1.6
106.06537	6.2
107.07330	25.7
107.08556	2.0
108.08094	4.0
120.08074	31.6
122.09617	2.0
130.11221	1.5
130.27875	1.6
138.09151	2.1
139.03937	1.9
158.06081	1.8
159.09167	2.5
162.05481	10.5
173.10773	7.3
174.09122	1.6
174.11528	2.0
183.10425	1.9
198.12662	2.6
199.08664	9.3
200.09555	2.2
201.13873	6.6
211.37256	1.6
212.10725	2.1
213.10268	3.8
214.11023	7.1
215.11804	31.4
215.15404	18.5
226.12209	3.3
227.11801	8.8
228.12497	17.0
229.13348	46.4
243.14893	100.0
244.15688	14.5
364.20108	3.0
379.24103	2.2
406.21146	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96282	1.3
56.96556	34.1
60.21768	0.5
64.15224	0.5
65.31341	0.5
67.05508	0.7
69.07041	0.8
69.11112	0.5
71.95248	3.0
72.96053	0.6
74.97587	0.8
79.05486	0.6
81.07044	0.6
87.29229	0.6
89.69198	0.6
92.98700	0.6
110.50253	0.6
115.00696	3.0
123.01213	0.8
127.00669	0.7
128.98529	4.1
129.02217	3.6
131.27844	0.6
133.01711	2.5
137.02740	0.9
141.02211	2.4
143.64539	0.7
145.01700	1.2
146.99617	4.0
147.03287	7.1
151.07556	0.8
153.02237	0.7
155.03764	3.6
157.01695	0.6
159.03278	3.1
161.01134	0.7
161.04782	1.5
165.04338	0.7
169.05363	0.8
171.03253	5.8
173.04814	8.3
177.04216	1.1
181.05194	0.7
183.03308	0.9
184.00508	1.0
185.01190	0.8
185.04813	3.9
186.01909	1.0
187.02856	1.2
189.04341	7.2
191.05948	4.6
193.05368	0.6
197.04810	1.2
199.06471	6.5
201.04184	0.8
201.08006	5.9
203.05838	6.6
204.02963	0.7
211.06433	1.0
213.07909	1.0
215.05821	0.8
215.59705	0.7
217.07405	6.7
219.07097	0.9
219.09009	4.9
221.06822	0.9
223.06396	0.8
225.07979	0.8
227.05882	1.3
229.07401	1.1
229.11153	1.0
231.09029	3.2
237.07851	9.8
239.09515	3.8
241.07451	1.4
243.09058	7.6
245.06937	0.9
247.12180	0.9
249.08009	0.7
253.07419	0.9
255.08990	100.0
257.10553	5.3
261.10007	5.8
265.07559	2.2
267.09039	3.2
273.10037	83.1
278.10587	3.4
283.08502	4.1
285.10016	4.5
295.08432	2.8
297.10007	1.3
301.09518	3.5
313.09436	2.2
329.14081	6.3
341.16422	0.8
347.15192	17.4
365.16309	44.5
383.17355	36.2
406.18820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81081	0.4
55.01862	0.8
56.96548	0.6
57.76704	0.4
74.91208	0.5
79.25948	0.4
81.07008	1.0
90.84714	0.4
91.05464	0.8
92.09333	0.9
95.04929	0.6
98.97549	0.5
105.07019	0.6
106.59129	0.5
107.04926	2.3
111.12272	0.5
115.05460	0.9
122.03569	1.0
134.03639	0.8
134.60123	0.6
137.05952	32.3
137.66612	0.5
143.04883	3.0
146.03571	2.2
149.05930	3.2
150.06752	0.7
151.03874	1.0
151.07513	1.0
160.03961	0.5
160.05153	1.0
161.05948	20.4
163.07474	1.2
163.86104	0.5
165.05664	0.9
165.06929	8.3
167.07007	2.9
167.08411	0.8
174.96611	0.5
175.07515	3.2
176.06212	0.5
177.05472	0.6
177.06897	0.7
179.07021	1.1
179.08542	3.2
181.06476	1.0
182.07231	3.0
188.04634	9.7
189.06961	0.7
191.07024	5.2
193.06476	14.9
194.07281	0.6
195.08098	0.9
196.08920	0.9
197.09602	2.6
199.07538	0.6
203.07004	18.3
205.08609	2.3
207.08047	5.1
209.05923	0.9
210.06760	11.2
211.07498	2.0
217.06503	0.6
220.05098	0.9
221.05945	28.1
223.07565	1.2
224.08235	5.5
225.09068	34.6
227.07068	2.0
234.06664	1.1
235.07512	4.9
236.08351	0.7
237.05429	1.0
237.09052	0.6
238.06223	9.1
239.06915	1.1
239.10692	3.7
242.09395	1.1
243.62343	0.6
249.09052	6.9
251.07036	1.2
252.07764	5.9
253.08542	56.0
254.09317	2.6
255.06450	4.2
262.06140	1.2
266.09335	1.2
267.10144	22.3
270.08829	6.9
272.29535	0.5
277.08539	10.0
280.07248	3.4
284.10382	0.5
285.11160	100.0
286.11227	0.8
294.08783	4.0
295.09564	10.4
297.10947	1.0
309.11172	17.0
311.08945	1.2
312.09769	0.9
327.12216	87.6
335.16547	0.5
359.14822	38.1
428.61420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11665	0.9
53.03942	14.6
53.25543	0.9
54.60405	0.8
54.81400	0.8
55.01867	10.7
55.05515	1.0
57.03429	10.0
61.02915	10.7
67.05494	6.8
68.99792	5.3
69.03423	46.1
71.04984	6.2
73.02903	11.6
81.03408	45.9
81.07042	2.3
83.01311	1.3
85.02897	100.0
87.00821	63.1
87.01368	1.7
87.04450	0.9
91.03945	1.9
93.07020	1.7
95.08593	31.3
97.02881	71.7
99.04433	13.8
105.01861	40.9
109.02875	40.3
109.10138	2.0
117.01828	7.3
123.08043	14.4
123.11652	0.9
126.05486	1.0
127.03902	56.8
128.91168	1.1
129.01814	3.9
137.09619	3.9
141.09149	9.4
145.04959	25.7
147.02884	1.5
155.10693	2.2
159.02892	16.8
213.03949	4.5
231.04939	11.3
231.10078	1.2
249.06274	1.0
291.49365	0.9
306.22595	0.9
371.13419	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	406.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	5.1
66.42625	2.4
69.03410	11.0
70.06578	42.6
74.52293	2.0
76.05976	2.3
79.05459	2.3
81.03387	12.6
85.02888	43.5
90.08082	2.3
91.03954	2.2
91.05489	2.9
95.04939	3.0
97.02879	20.1
103.05442	4.6
105.10257	2.6
106.21657	2.4
107.04946	5.1
107.79321	2.7
112.07600	49.9
116.07046	11.9
117.06987	18.3
119.08543	2.5
123.04404	100.0
125.02355	5.6
127.03913	5.3
127.14923	2.4
131.04887	25.2
136.01454	2.5
137.02362	17.9
137.05934	4.2
140.07025	4.8
141.05467	15.5
145.05040	2.9
145.05243	3.7
145.06464	54.2
146.84106	2.4
147.04373	9.1
147.08028	20.0
149.05980	79.8
153.01840	4.5
158.08119	40.1
163.03928	3.3
163.07516	82.0
165.05447	13.7
167.03372	3.9
171.04797	2.3
181.05067	2.7
186.76237	2.4
191.07001	94.5
209.04416	4.5
209.08072	81.9
227.05457	4.2
227.09129	30.6
244.05853	19.4
250.96358	2.5
406.11041	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.6
55.01870	18.0
57.03429	7.2
61.02919	2.8
65.31866	1.8
67.01846	6.6
69.03416	34.1
71.04980	8.8
73.02902	4.0
81.03406	32.1
85.02892	65.9
87.00804	7.4
97.02871	54.3
99.04436	29.3
105.01869	3.9
107.73746	1.8
109.02869	92.7
109.03622	3.5
113.02351	18.2
115.03908	52.3
123.04404	64.1
127.03895	100.0
131.03381	42.9
137.40793	1.6
145.04932	13.5
158.70648	1.6
159.02863	4.0
162.01456	1.6
173.04393	2.3
203.05269	1.8
214.00296	2.0
239.05525	9.9
257.06500	47.8
275.07568	11.7
353.34280	1.7
365.08066	2.2
389.10898	2.2
415.96213	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.96896	0.9
55.01871	5.2
55.05500	4.8
56.05032	7.5
56.54577	0.9
57.03432	8.8
58.99579	15.5
61.01147	0.9
64.33120	0.8
67.05499	5.7
68.05019	1.0
69.03429	1.6
69.07052	4.9
70.06570	1.0
71.04973	1.8
73.01128	1.8
74.00665	4.8
76.02213	33.9
76.03999	4.1
79.05492	7.8
80.05007	1.0
81.03407	1.7
81.07038	31.1
83.04945	1.2
83.06075	1.2
84.04494	51.2
84.08096	1.1
85.01125	5.8
85.02896	5.8
86.00651	7.3
86.99037	12.8
87.00823	1.1
87.02682	8.7
88.02200	3.9
88.50116	0.9
91.05471	1.9
93.07035	5.1
95.04946	7.8
95.08591	8.9
96.05296	1.3
96.08116	1.1
97.01114	1.1
97.02888	1.9
97.06530	2.1
98.09683	18.0
98.44445	0.9
99.05553	1.2
99.08088	7.6
101.00584	1.2
102.05509	7.0
102.47327	0.9
103.05411	1.0
105.07030	3.7
107.04922	0.9
107.08578	4.3
109.02888	1.2
110.03192	0.9
110.09666	2.2
112.03953	8.3
112.07599	1.1
113.04214	9.9
114.03740	1.1
115.05792	2.2
116.01659	49.5
119.08578	1.1
121.06479	1.6
121.10133	1.8
122.09588	1.4
123.04427	1.4
123.08081	2.2
127.03893	2.0
129.06578	3.8
129.07425	1.2
130.04976	12.1
130.06845	7.8
130.08623	2.2
131.08533	10.6
139.05762	2.0
142.03197	2.3
144.01129	11.7
145.06029	1.5
145.10146	6.1
149.05914	1.4
149.09636	6.1
156.08434	28.3
156.10199	16.6
157.06787	14.9
162.02168	29.2
163.03944	1.4
163.11122	0.9
174.09506	10.1
179.04811	9.2
182.08170	1.9
187.05428	1.1
189.03294	2.2
191.10658	6.0
209.11684	12.3
210.11308	1.5
216.06874	9.2
222.49678	1.2
233.05904	1.9
249.09695	1.2
250.03812	1.4
259.11069	100.0
277.12085	1.4
285.12720	1.2
313.12094	4.7
313.49832	0.9
331.13205	6.1
388.15234	2.0
406.16196	7.2
420.38510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32277	2.5
52.04677	2.7
54.82325	3.1
56.96547	3.5
57.03428	5.8
57.50525	2.9
61.02924	5.8
68.47568	3.1
69.03418	20.6
71.04974	19.8
79.05482	4.3
81.03417	28.1
81.07033	7.2
83.04972	14.4
85.02893	50.9
91.05466	16.7
93.07034	23.4
95.04950	30.6
95.08630	6.2
97.02872	37.5
98.97552	6.1
99.04443	49.2
105.06984	29.7
107.08585	65.6
109.02857	5.3
109.06525	17.2
109.10140	19.4
119.08573	74.0
121.10119	20.7
123.08054	7.0
127.03951	5.4
131.08528	31.4
133.10110	6.7
135.05600	3.1
135.11652	5.4
137.09619	23.6
143.08504	4.1
145.04991	4.4
147.04457	6.4
147.11681	32.9
149.09612	35.6
149.13206	5.5
149.35934	3.5
159.11676	35.2
161.13274	22.5
163.01779	6.4
164.04321	3.9
167.10648	35.4
171.11673	12.5
177.12770	18.1
189.12762	17.7
201.03448	3.7
207.13759	23.9
210.07594	6.6
219.01779	3.8
225.14819	100.0
246.88423	3.2
280.47760	3.7
381.41794	3.5
405.17105	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	405.24
Annotation	benzquinamide
Peak:m/z	Relative Intensity
59.57211	2.6
93.27223	3.2
169.02547	3.9
174.59372	3.0
187.07002	3.5
302.64389	3.3
405.23947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60977	0.2
53.00291	0.4
53.03926	1.9
55.01857	1.4
55.05489	0.6
55.93358	0.3
56.75688	0.3
57.03405	0.6
65.03917	0.8
67.05469	0.4
69.03077	0.5
69.03416	8.8
71.01326	0.8
71.04968	0.6
73.94859	0.3
79.05462	0.5
81.03396	8.4
81.07037	0.6
83.01372	0.3
83.04990	0.4
85.02895	2.6
89.03895	0.4
91.05462	16.8
93.07013	0.5
95.04941	0.5
95.08559	0.4
97.02261	0.6
97.02866	14.2
99.04413	1.9
105.07027	0.7
107.04943	0.4
107.08614	0.6
109.02851	2.4
116.41632	0.3
117.03319	0.3
117.06908	0.4
119.04917	45.1
119.08540	0.8
121.06534	0.4
121.10147	0.6
127.03882	2.4
132.95844	0.6
135.04387	2.2
145.10139	0.4
147.04388	100.0
147.11676	0.6
148.04741	0.4
149.05943	0.4
149.09605	0.6
150.09926	0.5
150.96909	0.5
158.97319	0.5
163.03853	3.4
165.05431	1.7
169.06291	0.4
176.95821	0.3
180.02094	2.8
189.12741	1.7
207.13899	0.7
211.95006	0.3
225.14827	0.5
226.02608	0.5
234.98961	1.7
242.14186	0.3
291.08563	0.4
309.09592	3.3
330.63806	0.3
335.42825	0.4
349.40051	0.4
362.42865	0.4
385.42093	0.3
405.11780	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67414	2.6
54.82020	3.1
55.01851	4.1
55.05508	34.4
57.03428	36.6
67.05493	78.8
69.07052	34.1
71.04980	4.8
71.08616	25.4
75.63868	3.5
79.05471	55.3
81.03389	4.8
81.07039	100.0
83.04991	26.9
83.08618	24.6
91.05470	38.8
92.64358	3.4
93.06484	5.5
93.07018	81.3
95.04952	14.0
95.08582	39.8
97.06499	18.7
97.10144	5.8
99.08089	20.2
102.37590	3.5
105.07014	18.9
106.50918	3.2
107.08562	35.6
109.10153	8.1
111.08087	7.0
117.06997	7.5
118.38937	3.5
119.08559	13.8
121.10103	19.6
123.11674	4.4
131.08562	13.5
133.10103	15.6
135.11685	14.2
139.35904	3.6
145.10176	6.3
149.13229	27.2
151.11162	18.0
159.11674	7.3
161.13229	8.1
163.11174	6.6
171.11592	4.3
173.11731	4.7
173.76332	3.1
177.12717	19.1
179.14200	3.3
195.13763	3.9
227.12747	3.8
240.73268	3.3
259.20566	4.2
269.17441	74.7
277.21609	14.0
351.25189	34.1
361.01743	3.4
362.92584	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05508	6.8
67.05489	1.6
69.03424	0.9
69.07049	7.1
70.88980	0.9
71.04961	4.2
76.47620	0.8
79.05468	4.2
81.07018	3.9
91.05463	10.1
93.07011	5.9
95.04903	1.3
95.08556	1.2
97.06487	1.4
99.04440	10.5
105.06275	1.2
105.07013	37.7
107.08576	10.7
109.06470	5.9
116.11781	0.9
117.07002	1.5
119.08562	95.4
121.10111	4.5
123.08092	1.5
129.06998	1.1
131.08571	1.4
133.06451	1.0
133.10110	25.4
139.03885	5.4
141.44032	0.8
143.08508	1.2
145.10072	3.3
147.08002	1.9
147.11668	100.0
151.07530	3.7
156.09384	0.9
161.13222	28.3
163.03824	1.6
165.09073	3.9
171.11720	1.2
189.12706	7.0
202.13210	0.9
207.13771	45.6
219.10098	1.4
238.61758	0.9
333.12650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
54.87908	0.4
55.01862	2.1
55.05503	7.1
55.92604	0.4
57.03422	2.8
57.07069	0.8
59.04995	0.5
59.45002	0.5
61.02920	0.8
67.05499	2.8
69.03422	4.1
69.07058	3.0
71.04980	2.6
71.98568	0.5
79.05471	2.9
81.03398	1.0
81.07040	11.6
83.04961	7.6
83.08607	1.0
85.02888	27.7
85.06555	0.8
89.16277	0.5
91.05447	4.5
93.07024	7.3
95.04949	3.2
95.08592	6.7
97.02872	2.7
97.06522	3.5
99.04453	3.6
105.07008	13.0
107.04993	0.6
107.08566	13.5
107.22498	0.6
108.41914	0.5
109.06503	21.3
109.10139	4.5
109.12611	0.6
109.86831	0.5
111.08069	6.9
113.77469	0.5
117.07045	0.5
119.08546	11.4
120.49951	0.5
121.10123	21.3
123.08051	9.0
123.11672	19.3
125.09577	0.9
131.08527	2.2
133.10110	10.5
135.08037	1.0
135.11691	2.7
135.15059	0.5
137.09595	47.2
137.13171	1.0
143.08517	1.9
145.10124	2.6
147.08058	3.0
147.11659	17.8
149.09578	7.4
151.07567	2.5
151.11153	0.8
156.09300	2.1
159.08000	0.7
161.09584	8.0
161.13235	7.4
163.11183	2.4
165.12712	100.0
171.11661	2.7
174.10342	4.4
179.10660	2.4
179.14268	6.7
180.76483	0.6
184.14545	0.6
185.41405	0.6
189.09033	0.6
189.12724	13.4
207.10208	0.7
207.13766	31.8
207.15735	1.1
208.01454	0.5
213.27446	0.6
225.11153	4.4
309.26636	0.6
351.18433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.12346	0.4
55.01869	5.2
55.05491	2.4
55.76004	0.5
56.79099	0.4
57.03430	2.4
59.31655	0.4
61.02902	2.0
61.09677	0.5
62.68152	0.4
65.03934	0.6
67.05144	0.7
67.05494	18.5
69.03409	2.7
70.87881	0.5
71.04980	7.9
73.02905	0.6
79.05067	0.5
79.05489	9.7
81.03398	2.3
83.04966	3.0
85.02886	9.9
85.06539	0.9
88.42409	0.5
91.05463	25.5
92.09314	1.0
93.07016	1.0
95.04941	11.1
97.02856	2.8
97.06499	0.8
98.81619	0.5
99.04443	1.1
103.05424	0.5
105.03380	30.6
105.07017	20.0
107.04942	100.0
109.02870	0.7
111.04433	0.7
113.05988	0.9
115.05416	1.1
117.07000	23.9
119.04910	3.2
119.08554	19.1
121.02847	5.8
121.06481	1.0
123.04404	2.2
127.03897	0.9
128.06194	8.9
129.06995	3.3
131.04944	0.8
131.08577	1.0
133.06476	9.7
133.10115	24.3
141.06909	0.5
143.08542	17.5
145.06477	20.8
145.10092	0.8
147.04295	0.5
147.08037	7.9
153.06990	2.6
154.25716	0.6
155.06064	0.7
161.09592	76.4
165.09079	0.6
171.08015	20.4
189.09077	42.6
207.10153	12.4
225.11185	20.2
256.23541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	5.3
55.05500	5.6
57.03429	1.6
58.13455	0.8
61.02905	4.4
63.13669	0.7
65.03945	0.8
67.05488	6.2
69.03419	15.0
69.07040	0.9
71.04971	18.1
71.88304	0.8
73.02884	1.4
79.05481	11.1
81.03407	4.3
81.07037	37.5
85.02888	20.5
85.06526	1.9
87.04433	1.3
90.83829	1.0
91.05453	20.2
93.07020	41.7
94.88504	0.8
95.04955	7.5
95.08598	8.5
97.02864	20.9
97.06498	3.7
99.04427	32.4
105.01576	0.8
105.07010	71.5
107.04926	4.6
107.08575	23.1
109.02845	1.2
109.06499	6.8
109.10142	3.5
109.62927	0.8
111.08060	9.9
113.05983	1.2
115.05419	1.1
117.06987	2.1
118.07805	0.8
119.04899	4.1
119.08548	8.9
121.06521	8.0
121.10105	0.9
123.08055	4.8
123.11710	1.6
125.05985	2.0
127.03870	3.2
128.06207	4.3
129.07027	1.0
131.08574	2.0
133.06458	9.0
133.10106	100.0
135.11687	4.7
136.51244	0.8
137.05963	13.8
137.09653	1.6
143.08565	14.7
145.04903	1.3
145.10114	7.9
146.07253	5.2
147.08026	3.6
151.07538	5.0
151.11154	7.2
161.09584	85.7
163.03882	1.8
163.11150	29.0
163.65981	0.8
171.08000	2.1
173.78532	0.9
174.06709	3.3
178.88477	0.9
179.10629	31.2
179.12106	1.5
189.09071	24.3
207.10121	16.2
223.70758	0.9
225.11176	65.4
233.33813	0.9
303.03036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01861	4.9
55.05498	4.4
57.03417	3.8
61.02905	5.1
67.05489	4.7
69.03416	15.6
69.14753	0.8
70.69312	0.7
71.04597	1.2
71.04971	16.9
73.02903	1.6
74.75220	0.7
79.05090	1.1
79.05476	11.4
79.61280	0.6
81.03391	5.9
81.07037	41.2
85.02888	30.3
85.06525	3.9
87.04433	1.0
88.07680	0.8
91.03934	1.1
91.05457	20.9
93.07020	35.2
95.04941	5.8
95.08575	8.0
97.02869	23.1
97.06490	3.7
99.04431	34.6
105.07013	60.3
107.04941	3.5
107.08563	18.8
109.02878	3.2
109.06506	9.3
109.10143	1.2
111.08061	13.3
113.05989	3.4
117.06989	1.9
119.04919	4.0
119.08550	9.6
120.08881	0.9
121.06453	6.8
123.04413	1.3
123.08027	4.9
123.11713	1.0
125.05978	1.7
127.03893	4.5
128.06230	5.6
129.06972	0.8
130.07797	1.2
131.08559	3.6
133.06490	10.7
133.10103	95.7
135.11641	3.8
137.05956	12.3
137.09598	1.0
143.08549	16.0
145.04942	4.4
145.06474	1.1
145.10062	5.5
146.07219	6.1
147.08014	3.3
151.07478	1.2
151.11128	7.6
161.09587	100.0
161.36720	0.8
163.11124	11.2
165.09024	1.5
171.08015	3.8
179.10629	25.4
180.08646	1.0
189.09053	26.7
207.10147	16.0
207.13681	6.4
225.11176	82.8
242.13814	1.4
301.06476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18003	0.7
53.03929	1.5
55.01850	4.7
55.05499	3.6
55.74437	0.7
57.03415	1.5
61.02884	1.2
67.05496	9.1
69.03419	11.6
71.04968	9.0
73.02859	0.9
79.05483	8.7
80.04987	4.0
81.03391	4.7
81.07026	4.5
85.02885	11.7
85.06523	1.3
90.77975	0.8
91.05467	25.6
93.07026	35.4
95.04954	7.6
95.08588	3.2
97.02861	4.9
97.06487	1.0
99.04447	9.0
103.05445	3.4
105.03375	11.5
105.07014	100.0
107.04943	40.1
107.08575	20.9
109.02843	1.0
109.06499	3.0
115.05403	1.1
117.07017	11.1
119.04924	5.5
119.08566	12.7
121.02824	1.0
121.06461	4.4
123.04373	1.3
123.08045	10.8
123.11639	1.5
128.06201	5.7
131.04900	1.8
131.08531	1.9
133.06490	7.6
133.10106	93.3
135.11700	5.7
137.05933	7.0
143.08553	13.1
145.04921	1.2
145.06461	7.7
145.10110	11.6
146.07274	1.5
147.08040	4.7
151.07510	7.2
151.11169	3.5
161.09595	71.2
163.11157	94.2
171.08012	7.5
179.10645	48.9
189.09074	38.1
207.10144	20.0
225.11157	16.8
228.10165	10.2
256.14963	0.9
276.63336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25030	0.5
52.95234	0.5
56.96554	17.6
57.03412	0.7
60.86669	0.5
66.04693	0.6
67.05493	1.5
69.07074	1.1
71.95232	1.1
79.05476	1.0
81.07024	1.4
85.02884	0.7
94.04179	1.3
95.08583	1.0
98.97047	1.2
98.97559	82.0
116.98595	82.4
122.03625	3.7
127.42809	0.7
134.99635	60.7
137.05954	60.7
140.00188	1.3
153.00674	10.5
158.01234	0.6
171.08958	0.6
179.00130	1.3
197.01157	5.1
198.01997	0.8
211.02768	1.5
215.02179	0.8
220.00439	2.9
224.09509	1.3
226.11104	20.5
235.02715	41.9
238.01385	3.9
242.10474	1.0
244.12131	16.1
253.03777	100.0
268.12152	3.3
269.17633	0.8
271.04776	8.3
276.05460	4.1
280.12076	1.0
284.08731	0.7
285.10016	0.9
286.13159	0.7
329.12958	0.8
344.15298	4.5
362.16241	1.1
404.17361	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24651	0.9
54.81944	1.0
57.44226	0.8
61.81848	0.9
80.03964	0.9
84.04494	10.3
85.02899	1.6
97.02856	1.8
98.09672	1.4
98.97562	1.0
109.02898	1.2
112.03702	5.8
117.03345	1.8
135.04399	9.6
145.02831	2.0
153.05211	7.0
153.06409	0.9
163.03902	16.8
191.03378	1.4
224.08862	6.2
242.09961	100.0
255.43796	1.1
256.08084	1.4
369.07962	1.0
404.15198	72.1
405.16132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46004	2.4
51.51118	2.3
54.81516	2.9
55.05512	3.3
56.96561	100.0
57.03423	3.0
67.05484	13.4
68.76266	2.6
69.07061	12.2
71.95238	4.2
73.51342	3.0
80.23340	2.7
84.96021	6.9
95.08584	17.3
109.10115	6.7
116.97828	2.9
146.99640	5.4
155.03787	5.2
157.01714	5.3
157.92622	3.4
160.00392	4.4
171.03224	23.9
173.04797	3.6
183.03262	3.8
185.04848	11.5
189.04337	43.1
197.04823	5.1
199.06335	14.9
201.04370	6.9
203.05894	22.8
207.05464	5.0
209.04811	7.7
211.06392	12.3
215.05884	15.6
217.07497	11.0
223.06425	4.7
227.05917	41.2
229.07529	7.1
239.09503	16.8
241.07397	13.6
243.09009	7.0
245.06960	41.6
249.07881	4.2
253.07416	6.0
255.09036	65.5
255.27530	3.8
257.10446	7.2
259.08658	4.5
265.07507	3.7
267.09000	48.4
271.08450	23.8
273.10083	56.7
283.08554	19.2
285.10056	65.8
301.09534	5.9
317.14148	5.1
335.15143	12.7
337.16983	4.2
345.13690	18.4
353.16226	5.4
363.14740	87.5
381.15829	94.1
399.17090	5.2
404.17264	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	403.1386
Annotation	5,6,2',3',5',6'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
57.63853	0.3
67.05453	0.5
69.03378	0.8
81.06991	0.3
91.05418	0.6
94.47957	0.3
99.04361	0.5
107.08527	0.4
115.95405	0.3
119.08550	0.3
127.03935	3.1
135.97137	0.3
137.02255	0.8
145.10130	0.4
147.04266	0.3
162.06703	0.7
163.07529	3.4
165.05444	5.2
169.01302	0.8
170.89871	0.3
174.37703	0.3
183.02867	19.3
186.01453	1.3
193.01205	0.7
201.03963	0.4
211.02377	10.7
213.05431	0.4
215.07069	0.4
228.07813	0.4
229.03386	4.2
231.06358	1.6
244.07205	2.0
246.08708	0.4
258.05173	4.8
259.06012	3.6
259.08273	0.4
261.25882	0.4
269.08096	0.3
273.07730	0.3
274.08249	0.7
277.06897	0.4
283.05948	0.4
284.06580	1.3
285.07382	0.3
299.09052	1.6
301.06998	9.2
302.07822	0.6
311.05591	0.6
312.06210	3.8
313.06998	3.8
315.04898	3.9
318.05853	0.3
325.03320	0.4
327.08551	9.3
329.06451	6.3
330.07303	9.4
340.05667	0.5
341.10275	0.4
342.10950	0.5
343.04495	2.4
343.08118	0.4
345.06055	0.6
345.09625	3.9
353.06384	0.6
355.08069	5.8
357.05902	3.2
357.09808	1.4
358.06744	7.2
359.11075	0.5
369.09579	0.5
373.09109	100.0
374.09521	0.7
387.10800	1.3
388.11398	6.9
394.25949	0.3
403.13806	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1023
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01863	7.3
57.03423	1.4
58.06294	0.8
67.05484	1.9
67.32714	0.8
68.99791	1.8
69.03423	5.6
70.92892	0.9
74.47160	0.9
77.53484	0.9
81.03417	1.9
81.07047	1.6
83.04973	2.5
85.02898	11.6
87.00827	4.6
91.05480	4.0
95.04914	1.2
95.08606	1.2
97.02880	5.3
97.06495	1.2
99.04487	1.7
105.01852	1.5
107.04942	1.7
109.10141	1.3
111.04409	1.1
113.06010	2.0
117.07024	1.1
119.04893	7.1
119.08528	1.1
121.02842	25.6
127.03891	6.0
131.04893	1.9
135.04378	1.3
135.11679	1.0
137.05977	1.6
137.09634	2.0
139.03909	1.4
139.11148	1.0
141.01910	1.7
145.02841	8.4
145.05023	1.4
147.04428	1.1
159.04431	1.1
163.03894	9.0
165.01782	19.2
167.03397	4.6
167.04782	1.0
175.03937	2.4
177.08969	1.2
179.03362	1.9
183.02875	12.7
187.03925	1.6
193.04903	1.9
195.02878	2.2
203.03403	4.9
207.02898	2.0
221.04411	1.7
223.13263	1.1
229.04887	1.8
231.02864	1.5
236.49994	1.1
239.06967	1.0
249.03740	1.9
255.06482	1.3
267.06491	12.9
270.05203	4.3
271.05945	5.7
273.04019	1.4
279.06467	2.5
281.07953	10.7
283.05963	100.0
284.06689	14.0
293.08194	6.9
295.06000	16.1
297.07568	17.3
305.08054	1.2
307.05942	6.7
309.07504	28.2
311.09198	5.0
313.07031	53.6
321.07538	51.5
325.07001	8.3
337.07004	34.4
339.08578	3.6
349.07019	37.8
367.08069	64.9
385.09207	11.6
403.10272	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	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58153	3.3
55.01869	7.8
55.05503	41.0
57.03435	35.1
60.29996	3.1
61.39653	3.5
67.05499	82.6
69.03411	9.6
69.07056	57.7
71.33836	4.1
71.91891	3.8
76.79508	4.2
79.05484	71.6
81.03410	7.8
81.07046	100.0
83.04947	18.1
83.08603	18.0
85.02873	6.9
88.92855	3.8
91.05461	52.5
92.09365	9.7
92.93984	3.9
93.07028	63.6
95.04964	9.0
95.08610	39.1
97.06522	29.6
97.10128	4.1
105.07030	52.1
107.08585	36.8
109.06509	8.1
109.10144	8.4
117.07002	10.7
119.08567	26.4
121.10136	19.1
131.08578	22.6
133.10117	25.1
135.11670	26.8
145.10152	10.5
147.11681	15.9
149.09648	6.7
157.10144	5.3
159.11667	17.6
163.11186	4.6
173.13148	6.7
177.12532	4.8
179.14360	4.5
199.10336	4.6
255.15878	24.0
257.18735	5.0
269.17361	47.0
275.20050	19.3
283.64145	4.7
349.23495	14.7
367.24631	6.5
378.88791	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	402.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81151	0.8
57.07070	17.4
58.06582	1.4
69.20000	0.9
70.06580	30.3
71.08620	4.6
74.06068	1.0
81.20042	0.9
88.07614	33.4
102.09162	16.9
129.01808	7.3
132.10196	1.5
172.72069	0.9
228.89330	0.9
340.35684	66.6
340.39850	2.2
363.95023	1.0
384.38385	5.6
402.39346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
69.03407	1.2
79.05472	0.4
81.03401	1.3
85.02908	2.2
86.96449	0.2
87.00817	1.3
91.05463	8.5
93.07018	0.8
95.04954	0.8
97.02852	1.7
99.04411	0.3
103.05455	0.4
104.06207	0.4
105.01843	1.9
105.07048	0.2
109.02860	0.8
109.06543	0.2
115.05460	0.2
117.06998	8.3
119.08562	100.0
120.08901	0.8
127.03883	2.0
131.08553	0.3
136.11201	0.3
145.04973	1.6
159.08060	0.9
161.09489	0.2
201.75450	0.2
227.10733	0.2
231.05017	0.9
249.05928	0.9
344.14792	0.2
375.06326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.0
53.03928	0.1
55.01855	0.1
57.03420	0.1
57.07068	5.1
61.02908	0.3
65.03912	0.5
69.03419	0.5
81.03406	0.1
85.02892	1.4
87.04469	0.1
91.03964	0.1
92.23838	0.0
93.03378	0.1
97.02872	0.5
109.02846	0.1
111.04431	0.2
121.02840	2.3
121.03799	0.2
127.03858	0.1
145.04988	0.1
149.02324	100.0
150.02678	0.8
162.07607	0.1
167.03371	4.1
173.04443	0.1
173.14157	0.0
180.08649	0.1
190.05083	0.1
205.08585	0.4
223.09624	7.9
224.10046	0.1
355.78476	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	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.9
55.01878	13.9
57.03431	11.1
60.04511	1.7
61.02917	11.5
68.99769	2.5
69.03418	37.8
71.04964	7.5
73.02898	16.9
81.03406	47.2
85.02891	100.0
87.00814	60.6
87.04463	1.3
91.03940	2.8
91.05453	1.4
92.64064	1.3
93.07055	1.6
95.04932	1.3
95.08512	1.1
97.02260	2.6
97.02873	70.9
99.04430	19.8
105.01851	43.6
105.07024	1.7
107.08605	1.2
108.04478	5.0
109.02860	37.1
109.06444	1.2
115.03923	1.7
117.01832	8.9
117.07014	2.1
119.08533	1.6
126.05546	2.3
127.03894	61.4
129.01808	5.0
131.08551	2.0
137.02312	4.8
137.05907	2.0
145.04947	24.8
147.02893	1.5
159.02867	23.4
213.03883	2.1
228.78107	1.1
231.04939	10.3
242.08478	1.2
249.06055	2.1
299.74088	1.3
418.63889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84041	0.9
53.03946	10.3
53.81452	0.7
55.01870	16.7
56.88604	0.8
57.03439	9.0
60.04501	1.3
61.02919	8.9
62.11644	0.9
63.38336	0.8
68.99777	4.5
69.03417	40.7
71.04987	8.4
71.24174	0.9
73.02908	11.9
73.76994	1.1
80.05001	1.5
81.03407	48.1
85.02895	100.0
86.09692	4.2
87.00817	48.9
87.04436	1.5
91.03941	5.5
91.05473	1.5
97.02882	47.6
98.06059	1.5
99.04444	21.7
101.02330	1.0
105.01855	38.9
105.06989	1.6
107.76358	1.0
108.04466	15.0
109.02866	42.7
117.01859	7.9
121.27863	1.1
126.05508	6.9
127.03901	62.0
129.01830	5.8
131.08565	2.0
132.92599	1.0
135.11690	1.0
145.04941	28.7
149.02409	1.0
154.08670	1.2
157.25981	1.1
159.02884	23.6
159.08023	4.1
160.95758	1.1
161.09564	1.3
165.47597	0.9
177.03894	1.5
193.04295	1.1
212.05681	1.0
213.03964	1.6
230.06483	1.9
231.04974	11.6
248.07587	7.7
249.06085	1.9
266.08582	1.4
327.63177	1.0
333.97714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05926	0.2
54.29315	0.2
56.05043	0.4
69.03419	0.6
71.03638	0.2
85.02894	2.0
92.64473	0.3
97.02848	0.4
102.87784	0.3
108.32802	0.3
118.29961	0.3
120.08080	6.4
130.06502	82.9
131.06839	0.4
132.04431	12.0
142.00520	3.5
148.07549	34.2
154.79727	0.3
158.05981	30.8
162.12225	0.3
163.03970	0.4
167.99171	0.3
176.07030	100.0
177.07411	0.4
204.06564	3.7
222.07568	52.9
239.06871	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	401.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83693	1.7
56.96543	3.1
58.11627	1.8
58.13546	2.2
58.49042	1.9
61.62920	1.8
64.96500	2.2
69.07043	2.6
70.13293	2.1
79.05466	2.7
91.05427	2.9
112.76523	2.2
116.98593	3.5
130.40656	2.3
135.04340	2.8
136.43338	2.3
137.02339	3.2
163.03896	9.7
191.77705	2.2
195.16115	2.5
199.23647	2.4
319.24774	2.4
357.18768	13.6
396.31668	2.2
401.17740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	8.6
65.04182	0.4
66.49506	0.4
71.95259	0.7
72.50191	0.5
85.69882	0.5
92.09373	0.6
98.97561	100.0
103.70093	0.5
107.58225	0.5
110.94004	0.5
116.98599	83.4
119.01863	0.6
134.99637	56.3
140.00142	1.0
145.03462	0.4
153.00688	10.3
158.01239	0.8
179.43530	0.5
190.64699	0.6
190.95314	0.6
192.98656	0.5
216.98761	0.6
219.01889	0.6
232.96480	0.7
234.99750	1.1
240.98769	2.8
250.97450	1.0
258.99710	40.7
259.99957	0.6
260.99841	1.1
261.02960	3.3
263.02728	0.9
266.99207	0.6
274.97543	8.3
277.00757	92.0
278.00928	2.3
279.00839	2.9
282.01334	0.7
282.99832	0.7
284.99820	4.3
292.98544	6.3
294.98813	0.5
295.01859	1.9
300.02390	1.1
301.01035	3.0
302.01218	1.0
303.00797	11.8
316.98804	2.0
359.03461	2.8
382.99988	2.4
401.01157	14.7
419.01834	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	401.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27736	0.6
52.67443	0.7
53.61774	0.7
55.05507	56.7
55.25457	0.7
56.45571	0.7
61.20079	0.6
61.53266	0.7
62.04026	0.6
65.03904	1.3
66.18190	0.7
69.03413	4.7
70.06590	3.3
73.06540	48.5
79.05489	0.8
81.06998	0.7
83.04959	5.6
85.02881	4.2
91.07581	34.4
95.08600	1.1
100.11263	0.8
101.06019	2.0
107.71474	0.8
110.58150	0.8
111.04392	1.2
121.02897	6.1
121.10193	1.8
127.65491	0.7
139.11172	22.6
149.02327	100.0
167.03314	1.0
182.15439	1.8
210.14833	2.5
221.08043	6.4
239.09126	0.8
311.00363	0.9
366.98251	1.0
388.10629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
54.82117	0.3
55.01869	0.5
57.03443	1.6
58.07725	0.3
61.02917	2.4
69.03418	3.6
71.05002	0.3
73.02921	0.8
73.04794	0.3
81.03411	1.9
85.02897	14.8
86.98393	0.3
91.05463	0.6
92.09324	0.8
97.02892	4.9
109.02854	0.8
115.05428	2.8
117.07003	32.8
117.73625	0.4
123.04417	21.6
127.03905	2.2
145.06477	100.0
153.85551	0.4
155.06027	2.0
163.07516	95.4
164.07738	0.5
181.59804	0.3
183.92888	0.3
218.84702	0.4
221.11700	15.9
302.83319	0.4
376.45212	0.3
422.50027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13944	0.4
55.05506	16.9
56.05033	0.4
57.07062	3.9
58.06592	2.9
67.05486	1.1
69.06717	0.7
69.07057	12.4
70.06579	23.9
71.08611	0.7
74.06075	0.8
81.07039	1.3
83.08600	5.1
88.07616	39.0
91.34172	0.5
92.09251	0.6
95.08618	0.5
95.14948	0.5
97.10157	2.5
102.09165	17.2
103.06531	0.5
114.09138	0.6
132.10207	2.8
146.11804	0.6
150.11237	1.2
294.31589	0.8
338.34109	47.9
339.66330	0.6
382.36649	3.4
400.37790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52438	0.2
53.03936	0.9
54.81390	0.2
55.05506	19.9
56.96564	0.2
57.03429	0.3
61.02923	0.4
65.03915	0.3
69.03408	1.2
69.07026	0.2
71.08607	0.2
73.06519	0.3
76.35438	0.2
81.03407	0.9
83.04935	0.2
83.66769	0.2
85.02898	3.1
87.00799	0.3
92.09274	0.4
93.03380	0.3
97.02860	0.9
97.06521	0.5
105.01820	0.3
105.06970	0.2
107.79317	0.2
109.02885	0.9
109.17358	0.2
111.04408	0.3
111.28411	0.2
121.02853	4.0
127.03888	1.3
131.08585	0.2
137.02374	0.3
145.04996	0.4
147.04408	0.3
149.02327	100.0
163.03885	1.3
165.09099	0.2
167.03362	1.3
185.59959	0.2
203.06998	3.5
215.07133	0.2
221.08066	8.2
259.09552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00259	0.3
53.03936	1.8
55.01867	1.0
57.03429	7.9
57.07076	0.4
59.04984	0.4
61.02918	3.1
62.55087	0.3
69.03056	0.7
69.03416	10.8
70.06576	0.5
71.04967	1.5
73.02897	2.1
75.04466	0.7
81.03401	6.2
83.04963	0.6
85.02892	22.8
85.06522	0.4
87.04450	2.0
90.90623	0.4
91.03891	0.4
92.09204	0.7
95.04955	0.5
97.02877	8.3
99.04448	1.9
102.04662	1.5
103.03959	1.8
103.05454	58.2
105.06998	2.3
109.02850	3.8
111.04435	0.7
115.03911	0.5
127.03883	4.9
129.05501	0.4
129.65472	0.4
130.04132	3.8
131.04910	100.0
133.06464	1.0
137.02328	18.7
137.03369	1.6
145.04926	2.6
147.04350	0.7
148.05173	20.6
160.05124	0.6
161.05937	4.0
162.06729	1.4
163.07515	31.9
175.07536	1.6
190.98720	0.4
201.09100	0.9
219.10245	0.5
237.11241	1.5
285.40164	0.4
294.22052	0.4
373.61996	0.4
399.15976	0.6
403.86569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80879	0.5
53.03942	1.0
54.22982	0.5
55.01855	0.5
55.05496	6.0
57.03423	2.7
58.99581	0.8
60.56179	0.5
61.01149	0.7
66.59073	0.5
67.05489	3.0
69.03418	5.2
71.04972	2.5
73.02914	1.2
81.03401	2.9
83.04972	0.8
85.01115	9.3
85.02886	12.2
97.02856	5.5
99.04426	12.9
101.00609	1.5
101.04213	10.4
109.02895	0.8
111.02665	1.3
112.08431	0.6
115.03928	0.7
118.91805	0.5
123.40733	0.6
124.77569	0.7
127.02094	0.9
127.03904	3.0
129.03680	100.0
131.01602	49.9
131.02609	1.2
134.09633	0.8
136.06165	43.0
139.02116	3.1
139.55763	0.5
150.21809	0.7
157.03157	64.5
170.81357	0.7
175.04207	71.5
203.03705	5.5
221.04744	45.3
268.10474	2.5
293.71405	0.6
342.70975	0.6
358.13684	0.7
400.14581	2.2
402.57129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1622
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
54.59597	0.6
55.05487	1.3
60.55514	0.6
69.07053	1.1
78.26614	0.8
80.43196	0.7
81.07049	1.3
81.35605	0.6
86.70898	0.7
91.05444	0.6
92.08627	1.7
93.06993	0.7
101.05988	0.8
105.06979	0.7
107.95083	0.7
111.04398	0.8
119.01885	1.3
119.08584	1.1
127.00061	0.8
131.08638	1.0
199.34387	0.7
243.04800	2.9
287.03641	10.1
313.16052	1.8
355.17160	9.1
399.16187	100.0
400.16290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05507	0.3
57.03425	1.1
63.02355	0.3
69.03416	4.1
71.01331	0.3
71.04945	0.3
71.41309	0.2
79.05466	1.3
81.03416	1.9
83.05038	0.2
85.02894	2.5
89.03897	5.8
89.68800	0.2
91.05473	0.2
95.04938	0.2
95.08584	0.2
95.89096	0.2
97.02875	7.2
99.04431	0.5
100.11225	0.2
101.02348	0.3
101.05981	0.2
107.04946	2.6
117.03363	8.4
135.04399	22.4
137.02400	0.2
145.02834	15.4
163.03882	100.0
164.04239	0.3
181.04933	1.1
271.02051	0.2
307.08130	0.8
325.09113	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08450	0.1
53.98172	0.2
54.09074	0.1
59.51121	0.2
59.74785	0.1
66.56828	0.2
69.03430	0.8
69.07076	0.2
71.04971	0.4
74.09673	0.2
81.03416	0.2
85.02889	0.7
86.09692	100.0
87.04459	0.4
87.10019	0.7
92.08712	0.4
97.02896	0.2
99.04430	0.3
103.03928	0.3
110.68660	0.2
111.04385	0.2
115.03911	0.3
127.03894	0.3
132.10184	43.8
147.06497	0.4
249.09691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01371	0.5
53.19498	0.6
57.03412	0.7
69.03403	1.0
69.29295	0.7
71.08616	0.9
72.08134	0.8
81.03407	1.1
83.04960	1.0
84.53843	0.7
85.02906	3.9
92.09294	0.9
97.02874	4.5
98.03205	1.0
98.97596	1.1
107.60712	0.9
108.55476	0.9
109.02940	0.9
116.98676	1.0
127.02213	1.1
129.00032	1.7
136.06166	1.2
137.05975	1.3
146.06030	0.9
147.04433	1.4
173.02698	5.0
174.03024	3.8
178.89209	0.7
198.98654	1.1
203.05251	47.4
219.03316	1.7
220.03505	1.5
399.12573	100.0
409.68060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	0.2
67.21619	0.2
69.03401	0.8
69.07065	0.3
71.04974	0.3
74.09698	0.2
81.03389	0.2
85.02927	0.3
86.09690	100.0
86.40948	0.2
87.04446	0.4
87.10026	0.4
90.10146	0.2
97.02861	0.7
99.04440	0.3
109.02908	0.2
127.03876	0.3
132.10179	41.0
147.06482	0.3
149.54048	0.2
195.04539	0.2
206.64932	0.2
250.56738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01849	7.6
55.05502	9.9
57.03426	23.1
57.30961	1.6
59.04987	4.5
61.02924	17.9
62.59686	1.7
67.05504	2.1
69.03066	3.1
69.03419	64.1
69.07059	38.5
71.01329	2.2
71.05005	7.3
73.02904	57.3
73.06563	2.5
81.03396	13.1
81.07050	3.2
83.04960	2.0
85.02894	100.0
87.00813	4.6
87.04478	17.2
87.90488	1.8
90.86812	2.1
91.03905	2.7
93.07042	3.0
95.08589	3.3
97.02878	58.7
97.06516	3.3
98.09678	2.1
99.04433	7.8
101.06013	2.9
103.03921	2.8
109.02886	9.7
111.04438	2.2
111.08091	7.3
115.03912	33.8
115.07542	16.1
116.86675	1.8
120.05615	1.8
123.04453	2.0
127.03890	32.1
128.68159	1.6
129.67233	2.1
130.39662	1.8
133.04932	39.3
133.08543	7.5
135.04407	2.2
137.02325	24.8
137.06018	1.9
137.09615	7.2
138.02664	9.9
145.04921	34.0
148.82133	2.0
150.68076	1.8
153.09052	2.7
155.73048	1.9
163.03835	7.6
163.05966	12.8
165.09097	10.3
174.56979	1.8
183.10239	3.4
183.13802	2.6
201.14867	2.8
241.07031	3.5
259.08102	11.7
277.09232	1.9
295.10214	12.0
406.84949	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01865	7.7
55.05500	7.5
57.03429	20.8
59.04993	6.8
61.02919	14.7
64.33183	1.4
67.05497	1.5
69.03422	50.8
69.07057	36.0
70.42770	1.3
71.01340	5.7
71.04965	2.7
73.02905	54.8
79.05493	1.6
80.12112	1.3
81.03400	8.9
81.07069	2.4
82.96340	1.2
83.04984	2.1
85.02893	100.0
87.00817	1.8
87.04455	16.4
91.03962	2.3
92.08671	1.9
93.07047	2.3
95.08597	2.9
97.02879	53.7
97.06512	2.2
99.04451	7.5
101.06023	2.5
103.03965	1.4
105.01867	2.4
105.06985	1.4
109.02872	7.8
109.06523	2.3
111.04466	1.8
115.03914	32.7
115.07558	10.5
123.08062	1.5
127.03893	27.7
133.04953	27.2
133.08575	2.2
137.02335	19.4
137.09576	6.8
138.02690	6.5
145.04938	26.5
163.03889	7.5
163.05983	13.0
163.27998	1.3
165.09099	7.2
183.10205	2.5
198.48935	1.4
201.11215	5.0
201.14838	2.7
216.95796	1.5
223.05962	2.0
231.12302	1.7
241.06946	2.9
259.07935	9.9
282.64279	1.2
295.10263	7.7
298.68973	1.5
344.62613	1.3
398.18869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99575	1.1
53.03942	8.3
55.01865	11.2
55.05502	5.6
57.03426	11.0
59.73238	1.3
61.02908	8.1
66.68513	1.3
68.99760	1.9
69.03415	48.8
69.21423	1.3
70.03740	1.9
71.04972	2.3
73.02910	10.9
73.06541	5.8
80.67474	1.2
81.03402	35.6
85.02889	100.0
87.00813	52.5
87.01347	2.0
89.03438	1.3
91.03937	2.0
92.08697	2.4
97.02877	38.6
99.04440	17.1
105.01171	1.9
105.01842	32.9
108.04458	7.6
109.02867	26.8
115.07547	3.0
117.01855	7.6
119.08571	1.6
126.05473	2.5
127.03894	46.8
129.01804	5.2
133.08607	2.9
137.02341	35.3
137.03391	3.0
137.09599	2.6
138.02669	20.0
145.04936	17.5
147.02914	2.8
159.02840	17.0
165.09096	2.9
180.17398	1.5
183.10237	2.0
201.11163	2.5
230.06546	2.9
231.05038	13.5
248.07600	3.3
249.05977	2.7
270.32498	1.3
306.45035	1.3
323.63480	1.6
411.87564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.3
53.66698	0.8
55.01870	14.0
55.05515	1.2
57.03437	8.5
60.04502	1.1
61.02913	10.4
62.09970	0.9
67.05482	1.2
68.99773	5.5
69.03420	41.6
69.07076	1.1
71.04974	6.6
72.48562	0.9
73.02895	12.2
74.09679	0.9
81.03404	41.3
81.07027	1.2
83.01322	1.3
83.04970	1.1
85.02894	100.0
87.00817	47.3
91.03942	3.6
92.31403	0.8
92.63944	0.8
95.08598	6.6
97.02876	44.8
98.06026	1.8
99.04443	19.5
99.08054	1.2
104.67995	1.1
105.01854	36.8
105.07050	1.0
108.04451	11.1
109.02867	36.9
109.10168	1.4
113.09660	1.9
113.19682	0.9
117.01868	7.8
121.10114	1.1
123.08055	3.7
123.97893	1.0
126.05504	4.2
126.57314	1.0
127.03903	54.3
129.01819	5.6
141.09082	6.1
145.04948	23.7
147.02859	1.7
147.04402	1.2
158.91507	1.0
159.02852	20.4
159.10173	4.2
161.12680	1.0
173.01761	1.5
189.03957	1.4
213.03996	1.8
230.06667	3.4
231.05020	10.2
245.17145	0.9
248.07605	5.9
249.06081	1.3
266.08453	1.2
278.77521	0.9
422.49121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03939	0.8
54.81864	0.3
55.01856	0.9
57.03419	0.9
61.02917	0.9
65.03914	2.4
69.03416	7.8
71.01329	0.6
71.04967	0.5
72.08130	0.9
73.01116	2.1
73.02891	0.4
77.51124	0.4
81.03407	4.4
83.04958	1.6
85.01111	1.8
85.02885	12.8
88.03979	0.5
89.02370	0.4
89.28348	0.4
95.04889	0.5
97.02870	35.1
97.06451	0.6
99.02657	12.8
99.04417	3.4
101.00588	2.4
109.01086	0.8
109.02847	2.2
111.02657	0.5
111.04420	0.9
113.00545	0.5
123.04364	2.1
125.00636	0.4
125.22743	0.4
127.02113	32.4
127.03776	3.4
129.00037	39.0
131.01530	0.4
133.04944	0.4
136.06172	6.3
139.03894	0.9
139.57976	0.4
145.04929	3.2
147.04399	0.9
155.00304	0.7
155.01590	25.1
173.02644	100.0
194.97382	0.7
201.02139	2.6
201.07574	1.0
212.98514	2.9
215.05536	0.6
219.03185	29.9
234.98874	0.5
236.98347	0.4
339.01477	1.5
410.56332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01865	9.6
55.05494	1.2
57.03422	5.3
61.02916	8.9
68.99778	2.0
69.03421	42.1
69.07024	1.3
71.04972	6.6
72.87174	1.0
73.02908	9.1
81.03399	32.0
85.02895	100.0
87.00818	47.3
87.04446	1.2
91.03907	1.5
92.08640	2.6
97.02881	44.0
99.04435	17.7
100.11660	1.3
105.01852	36.0
109.02865	29.3
117.01839	4.2
127.03898	58.2
129.01823	4.3
137.02354	1.4
145.04945	24.0
147.02911	1.6
159.02855	21.7
164.16719	1.2
165.12798	1.2
213.03899	2.3
222.61754	1.2
231.04996	15.2
231.33669	1.3
249.06007	4.0
330.82770	1.2
351.79965	1.3
357.01102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	16.2
53.30293	2.6
55.01857	4.2
57.03425	16.5
61.02916	13.3
69.03414	80.7
71.04983	3.4
71.47508	3.5
79.12325	3.1
81.03400	36.2
85.02895	100.0
87.00815	70.7
88.03396	3.3
91.05472	4.2
93.07066	3.3
97.02885	71.4
99.04440	18.6
103.05450	37.0
105.01857	52.9
107.38789	3.3
109.02867	29.0
127.03911	55.5
131.04907	82.9
131.08640	3.3
137.02335	34.3
137.03233	3.8
137.05981	22.2
145.04948	17.8
149.05989	6.8
159.02827	5.2
159.08055	3.4
187.07544	5.7
273.11267	8.3
283.96289	3.7
325.54385	3.7
397.16470	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01851	0.7
55.05502	0.7
57.03418	0.8
57.32663	0.3
67.01842	0.4
67.05487	0.5
69.03410	27.9
71.01333	0.6
71.04974	0.6
73.06523	0.6
76.68388	0.3
81.03396	9.0
81.07034	0.5
83.04962	2.0
85.02878	3.0
85.06538	0.8
87.00785	0.5
90.29274	0.4
95.04934	0.4
95.08561	0.9
97.02869	2.6
99.04429	5.2
105.01836	0.4
107.08562	0.4
109.02857	3.3
109.10138	0.5
111.04427	2.8
113.09591	3.4
114.09968	1.3
121.10134	0.5
127.03885	4.7
133.06378	0.4
137.02316	100.0
137.03381	7.5
139.11182	0.7
147.53967	0.3
155.03384	2.1
197.81561	0.3
201.09338	0.3
222.08524	0.4
281.06650	1.7
299.07547	2.7
397.18237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
54.68682	0.4
54.82069	0.5
55.01863	8.4
55.05505	0.5
57.03429	7.9
57.07067	1.0
59.16345	0.5
61.02916	8.1
61.78157	0.4
68.99775	2.7
69.03418	38.0
71.04980	4.8
71.08615	0.7
72.33415	0.5
73.02904	5.9
75.91766	0.5
78.75583	0.5
81.03404	27.4
85.02892	100.0
87.00816	55.5
87.04443	0.7
91.03952	2.2
97.02875	32.5
99.00834	0.6
99.04434	12.7
101.02373	0.7
103.03939	0.5
105.01854	48.8
108.04461	0.9
109.02867	26.7
115.03947	0.8
117.01861	2.6
126.05510	0.6
127.03898	53.6
129.01828	4.2
134.98302	0.5
145.04944	18.0
147.02882	0.6
150.51265	0.5
159.02856	9.6
189.03960	3.2
213.03889	2.8
231.04936	12.3
249.06064	6.8
284.48734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40619	1.1
54.08386	1.2
54.43491	1.1
54.61446	1.2
55.05495	2.6
56.37939	1.3
57.07069	42.9
58.38531	1.2
69.07042	1.7
71.08618	38.3
73.06543	7.2
80.50275	1.2
82.44187	1.4
82.81460	1.3
83.08608	3.3
85.10175	28.8
89.06018	100.0
103.23154	1.6
107.07097	6.8
133.08585	25.8
151.09651	2.2
177.11217	9.0
229.21651	5.7
232.23912	1.6
239.14842	15.8
242.61746	1.4
289.89951	1.6
379.30505	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	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57566	0.8
52.61517	0.8
53.03762	0.7
53.03938	11.4
53.50907	0.8
55.01866	12.3
55.02101	1.5
55.05487	1.8
55.29673	0.8
57.03412	7.0
57.03653	0.9
58.81973	0.8
59.04980	1.8
60.04502	1.7
61.02921	8.8
67.26264	0.8
68.99767	4.3
69.03071	1.9
69.03415	36.7
69.04742	1.0
70.31406	1.1
71.04977	7.4
73.02894	11.9
81.03399	39.2
85.02891	100.0
87.00813	47.9
87.01241	1.3
91.03931	2.1
97.02869	53.0
99.04416	15.3
105.01847	33.0
108.04454	7.2
109.02861	35.8
114.82090	1.0
115.03899	1.4
117.01817	6.7
126.05462	5.2
127.03888	59.7
129.01807	4.4
140.56354	1.2
141.01884	1.2
145.04924	26.0
147.02818	3.5
159.02861	22.3
209.00589	1.1
213.03871	2.1
230.06535	2.0
231.04985	10.7
248.07655	6.0
361.15158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88444	0.8
53.03930	5.6
55.01873	7.8
57.03423	6.0
57.07061	0.9
61.02908	5.9
68.99773	1.9
69.03420	42.4
71.04974	4.3
73.02883	5.3
81.02934	1.2
81.03402	24.5
81.03861	1.4
85.02893	100.0
87.00813	46.2
87.01346	1.6
92.09295	2.1
97.02266	1.3
97.02876	30.9
99.04432	12.1
105.01853	44.5
105.65013	0.9
108.04453	1.2
109.02864	23.6
115.03928	1.0
127.03900	48.3
129.01836	2.3
137.02307	1.3
145.04924	13.0
159.02838	8.9
173.78281	1.2
189.03799	1.3
189.94476	1.0
213.03998	1.8
231.05003	13.3
241.95950	1.2
249.05920	4.6
304.21945	1.2
396.35458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.38646	0.3
54.89997	0.4
55.01866	3.2
55.05500	0.5
57.03420	2.6
61.02912	3.0
67.05505	0.6
68.13190	0.5
68.99784	0.6
69.03416	11.4
71.04977	100.0
73.02890	3.3
81.03397	11.4
83.04955	0.5
85.02893	27.0
86.03744	0.5
87.00811	14.4
91.03968	0.7
91.05457	0.6
92.63697	0.4
92.99158	0.4
93.07024	0.5
95.04955	0.7
97.02870	17.2
99.04412	5.9
105.01839	9.7
107.08586	0.7
108.04487	0.8
109.02865	12.1
111.04426	0.5
113.06001	6.1
117.01865	1.9
117.78600	0.5
121.10122	0.7
121.55196	0.5
125.09653	0.5
126.05505	0.8
127.03896	15.7
129.01823	0.7
131.07021	54.6
131.23691	0.4
135.07996	0.5
145.04950	5.1
145.65938	0.4
147.04398	0.9
153.09117	0.9
153.52393	0.5
159.02873	5.0
163.03877	1.0
181.08600	0.9
181.12303	0.6
199.09679	2.3
199.13377	0.7
201.43181	0.5
231.05023	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.72357	0.7
55.01864	7.1
55.05489	1.2
55.19307	0.8
56.96543	0.9
57.03432	7.0
58.43973	0.8
59.04976	1.5
61.02916	11.3
67.01852	1.1
67.70220	0.8
69.03417	26.8
71.04977	26.0
71.05367	1.0
73.02892	5.1
79.05492	1.4
81.03397	15.3
81.07040	1.5
83.04948	1.8
85.02892	100.0
87.00809	7.3
87.04423	1.4
90.05525	1.6
91.03934	4.2
95.04926	1.1
97.02870	27.6
97.06493	7.4
99.04459	8.4
105.01843	6.3
107.04926	1.2
109.02861	11.7
113.05979	5.7
115.03915	1.2
121.10091	6.5
123.04436	8.1
125.01539	1.5
125.05933	1.2
127.03893	21.2
129.05415	1.8
130.06505	1.3
131.07040	10.6
134.43434	0.9
135.04385	1.6
137.02359	1.2
145.04950	25.2
147.04424	1.5
153.09058	1.1
159.02850	2.0
160.57051	1.0
163.05983	3.6
168.63712	1.0
171.02052	14.4
180.08635	6.1
181.08577	1.1
181.12247	1.7
186.05394	8.0
198.05470	9.6
199.01576	9.7
199.09630	5.8
216.06491	5.6
217.02505	7.8
231.04956	1.8
234.05312	1.4
234.07568	3.8
234.13258	2.1
283.03650	1.2
313.08090	1.2
396.10446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05508	15.0
57.03423	3.0
57.07059	1.0
59.04982	0.9
61.02907	1.1
67.05469	1.3
68.99774	1.0
69.03422	16.8
69.07059	100.0
71.04962	1.5
73.02908	1.8
81.03416	7.5
81.07043	1.2
83.08589	1.0
85.02892	32.6
87.00321	1.2
87.00821	20.0
91.05474	1.2
95.08587	1.3
97.02866	9.2
99.04430	2.9
105.01849	12.0
107.08566	0.9
109.02868	7.6
111.11710	28.6
111.12476	0.9
119.04899	1.0
127.03884	11.4
129.12740	18.5
131.04860	1.1
135.04453	1.0
145.04910	2.7
147.04379	2.7
147.13768	1.6
147.82141	0.8
159.02898	0.9
160.05225	1.2
161.05997	3.4
163.03897	1.3
175.31787	0.7
177.05475	1.0
189.05449	0.8
189.09111	0.9
191.07028	0.9
215.07076	1.6
231.04951	1.6
233.08180	0.9
259.09570	1.2
359.16299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66904	1.1
55.05501	1.3
57.07059	8.8
65.03922	1.7
66.33244	1.2
67.40621	1.2
69.03397	1.2
70.06570	14.7
71.08619	1.5
78.05022	1.3
88.07611	25.9
89.41970	1.3
102.09155	13.7
110.72935	1.3
137.82845	1.5
145.62248	1.6
149.02333	100.0
149.03410	5.2
150.02647	5.6
193.04935	79.5
228.23201	41.5
298.12305	1.4
394.20981	2.6
394.25830	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01847	1.0
55.05507	13.4
57.03416	3.3
57.07054	0.9
59.04985	1.2
60.25723	0.6
61.02900	2.4
61.35318	0.5
62.49539	0.6
67.05491	1.5
68.99769	0.8
69.03414	14.7
69.07055	100.0
71.04967	3.0
73.02887	0.9
81.03406	8.0
81.07019	1.2
85.02889	27.3
85.06528	1.0
87.00814	15.5
91.05476	0.9
93.07052	1.0
94.23798	0.5
97.02869	12.5
97.68326	0.6
99.04420	3.3
105.01855	12.3
107.08583	0.6
109.02881	7.0
109.06484	0.7
111.11700	32.4
120.01129	0.9
127.03889	14.0
129.12733	16.5
133.10071	0.7
137.02411	0.7
145.04953	3.2
147.04381	0.8
147.13745	2.5
159.02844	1.2
198.05487	4.9
222.20880	0.7
231.04926	2.4
283.61371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73522	1.4
53.03942	4.2
55.01868	7.7
55.05511	15.9
57.03428	7.5
61.02913	7.6
67.05492	2.9
68.99786	1.7
69.03421	46.5
69.07061	59.5
71.04974	2.8
73.02906	4.0
81.03397	25.1
81.07027	4.3
83.01361	1.6
85.02892	100.0
87.00816	59.0
91.36315	1.9
92.08767	2.4
95.08591	1.9
96.12586	1.7
97.02876	31.6
99.04446	13.1
105.01852	48.9
109.02857	24.2
111.11748	2.8
117.01849	2.5
127.03896	52.4
135.07941	1.6
145.04947	20.9
146.78963	1.9
154.58211	1.7
158.54102	1.7
159.02901	7.8
189.04002	2.5
231.04980	15.1
249.06082	7.0
274.03098	2.4
394.09183	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.249
Annotation	Cyenopyrafen
Peak:m/z	Relative Intensity
54.82049	1.8
57.06808	3.5
57.07068	52.4
71.08618	14.1
73.06548	2.5
79.05492	2.7
81.07056	2.8
82.05310	9.2
85.10208	6.3
89.06011	30.2
91.05469	2.4
93.07009	3.5
95.08595	2.1
98.52809	1.8
105.07005	2.5
107.07136	1.8
109.03992	12.2
109.07616	2.0
111.09239	2.3
127.05030	45.0
133.08591	7.7
137.07098	8.0
149.02339	3.1
160.12000	2.0
183.09167	3.0
184.07600	14.2
195.12306	16.2
199.08711	3.1
209.10829	1.7
226.09758	7.5
253.12151	3.0
254.12840	46.6
294.15909	23.0
309.18250	24.7
310.19107	64.4
377.32547	12.8
394.24844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
56.10882	0.2
57.05798	0.4
69.03419	0.3
70.06570	1.3
72.08141	100.0
78.07076	0.3
97.02888	0.6
115.03916	2.3
116.07077	1.5
118.08639	40.5
119.04929	1.1
125.75846	0.2
135.04469	0.4
137.05972	3.7
142.00220	0.2
147.04396	2.5
179.07030	1.6
202.38428	0.2
258.17697	0.2
291.49319	0.2
358.17813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71119	0.2
61.02913	0.2
61.96234	0.2
64.33575	0.3
65.03937	0.2
69.03416	0.3
70.04176	0.2
70.67032	0.2
73.02904	0.3
77.09322	0.2
79.05457	0.3
85.02888	2.1
91.05460	10.4
94.04132	0.4
102.49549	0.3
107.04931	0.5
109.02883	0.2
117.07776	0.3
119.04922	28.2
122.03619	2.9
135.04401	0.9
137.05959	100.0
141.83388	0.2
147.04395	53.0
149.05991	0.5
151.07530	3.0
163.03897	1.1
164.04674	0.4
167.06952	0.4
175.54126	0.3
179.07002	27.3
197.06342	0.4
197.08070	7.6
242.34927	0.2
254.05598	0.2
314.48666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
54.82278	0.6
54.87637	0.5
55.01860	1.4
55.05494	1.0
57.07063	0.7
57.47506	0.6
64.33926	0.7
67.05487	1.3
69.07025	1.3
79.05500	0.7
81.03398	0.7
81.07053	3.1
85.02875	1.6
89.03899	0.9
91.05465	10.0
93.07009	1.5
94.04113	0.7
95.04924	1.6
95.08595	2.8
95.21365	0.7
102.04674	1.5
103.05450	27.3
105.03380	0.9
105.07010	3.4
107.04912	3.1
107.08598	1.0
109.02856	0.7
109.06522	1.2
109.10149	1.3
111.04379	1.0
115.05495	1.1
117.03362	0.9
119.04918	13.1
119.08537	0.9
120.08121	2.5
121.06507	1.6
121.10129	3.4
122.03654	2.8
123.04435	0.9
123.11747	1.3
124.05197	6.4
125.05973	1.3
130.04106	5.6
131.04912	100.0
133.02821	12.8
133.06456	1.5
133.10092	4.0
135.04366	5.3
137.05963	61.1
139.03813	1.0
141.66920	0.7
145.02756	0.8
146.03607	0.9
147.03314	1.2
147.04408	19.2
149.02345	1.2
149.05965	5.4
150.02644	1.1
150.06754	15.4
151.03911	1.2
151.07552	0.8
151.11244	1.2
159.04395	15.2
161.02292	1.7
161.05972	4.4
162.06728	18.6
162.08014	0.8
163.03859	5.4
163.07513	31.4
171.04405	0.9
175.03954	0.8
175.71538	0.7
177.05440	2.7
177.06944	0.9
178.07733	0.9
179.03287	1.2
179.07011	1.4
179.08447	1.5
179.10692	1.0
180.07787	4.3
187.03871	60.6
189.06891	1.6
191.03378	8.1
197.11664	1.2
199.03923	2.7
205.04829	8.8
205.06602	6.7
207.08076	1.5
215.12685	1.2
216.42444	0.7
219.08044	1.7
222.06889	1.0
223.07486	3.9
233.05980	7.2
234.06653	3.2
235.07535	4.4
245.06058	1.5
250.06229	4.9
251.06964	3.9
261.05396	4.0
262.06293	1.4
263.06961	6.2
265.08548	4.2
268.07224	0.9
273.05469	1.1
277.08582	1.2
278.05698	1.7
279.06439	3.7
281.07886	0.9
283.09476	0.9
290.05731	1.3
291.06464	3.8
293.07968	11.5
305.08121	7.4
309.07678	3.1
311.09085	14.4
323.09265	6.6
329.10092	1.3
341.10159	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	394.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32852	1.7
55.01856	3.9
55.05489	2.0
64.44859	2.4
68.17689	2.0
69.03410	5.1
69.07072	3.9
70.06589	2.8
71.04982	2.1
72.08125	2.4
79.05461	3.8
81.03395	3.3
81.07047	5.1
83.04932	3.3
85.02887	16.4
86.09689	4.7
91.05461	14.1
93.07012	11.2
95.04905	4.3
95.08575	3.7
97.02851	4.5
97.06498	3.9
99.04453	2.2
105.01804	2.3
105.07052	15.9
107.04944	11.5
107.08553	9.3
109.06486	2.9
109.10133	8.7
115.03932	2.3
115.05460	5.1
119.04922	4.2
119.08548	18.3
121.06487	30.3
123.04405	10.8
125.05954	2.2
127.03905	2.5
128.00783	2.8
131.04890	5.2
133.10092	14.3
135.04395	39.1
137.05948	50.2
137.09547	10.7
141.06915	2.6
143.04884	10.7
146.03552	4.0
147.04393	21.7
149.02335	9.5
149.05942	14.8
150.02678	9.0
150.06717	12.1
151.07497	3.5
151.11125	4.3
153.07016	23.6
155.08557	10.8
161.05956	50.7
161.09561	4.4
162.06720	38.7
163.03885	16.1
165.06973	28.4
166.07712	3.1
169.08525	2.2
175.03992	2.7
179.08537	8.5
179.10677	19.9
181.06444	32.4
183.08046	26.5
187.03793	4.7
190.07683	2.4
191.08577	10.0
191.49310	2.1
193.06418	18.7
194.07262	9.3
195.08081	3.2
197.05974	2.7
197.11723	18.6
199.07539	29.3
205.06453	2.9
207.08037	8.7
209.05951	9.2
209.09535	9.7
210.06708	5.2
211.07495	100.0
213.09087	3.6
215.12762	2.8
219.08049	5.2
221.05986	21.0
222.06746	2.2
223.07555	8.3
225.09099	15.9
227.06979	22.5
233.05911	3.0
235.07509	5.4
237.09103	14.5
239.06993	57.5
241.08536	5.4
247.07449	2.9
253.08524	10.9
256.07373	2.8
259.09549	9.7
265.08688	4.6
267.06473	71.9
267.09479	3.6
269.07855	5.5
270.08801	3.1
271.09601	35.0
281.07928	9.1
285.11102	31.1
287.09125	30.8
293.08014	16.6
296.10300	2.7
297.10959	2.8
299.09015	42.3
309.07480	45.0
311.09097	15.8
329.06384	3.1
329.10135	68.5
340.66718	2.2
341.10141	98.8
359.11124	21.5
394.34766	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.05494	23.0
55.72741	3.6
57.07049	21.9
66.38314	3.7
67.05486	27.0
69.07057	8.3
70.53208	4.1
71.08613	7.7
79.05476	41.9
79.55533	4.3
81.07037	46.9
87.40547	3.9
91.05466	52.6
92.09298	5.8
93.07035	54.1
95.04941	35.2
95.08580	34.3
97.06510	5.4
99.98700	4.2
103.05417	4.1
105.07013	100.0
107.08583	37.7
109.06462	6.5
109.10119	27.7
117.07005	22.4
119.08550	87.0
119.34348	4.3
121.06468	16.2
121.10115	32.6
129.06967	9.9
131.08553	47.3
133.10101	39.2
135.11632	8.7
142.07782	19.0
143.08530	19.8
145.10104	51.0
147.11632	7.8
149.02359	32.3
150.02658	22.2
151.02818	8.5
156.09344	6.3
157.10115	29.0
159.11617	23.3
161.09532	5.2
167.08543	5.7
169.10062	18.2
171.11629	9.8
173.73077	4.0
175.11124	4.7
175.14835	6.0
183.11679	7.5
185.13210	5.8
195.11710	5.7
209.13205	6.9
248.74847	4.1
251.23447	3.9
263.54181	5.3
265.48532	4.3
405.01083	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	394.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	20.1
55.01870	19.4
55.05495	5.5
57.03426	9.8
59.04991	5.5
61.02907	9.1
61.52448	1.3
61.52808	1.2
68.99776	2.8
69.03416	29.8
71.04974	26.7
73.02899	6.5
75.04471	10.2
81.03404	77.6
83.01317	5.4
83.04970	23.3
84.86384	1.7
85.02891	86.0
85.06536	10.6
87.00817	29.6
87.04458	28.4
92.02843	1.4
95.04953	11.4
97.02876	39.0
98.03651	1.8
99.04438	100.0
105.01854	7.4
109.02868	60.6
111.04443	19.4
113.05991	35.8
115.03920	19.2
117.01825	5.8
127.03892	53.0
129.01805	6.5
129.05415	2.8
141.05446	65.8
147.02844	1.9
159.02869	22.3
159.06487	43.6
161.04442	1.7
172.17480	1.4
189.03850	1.4
196.36209	1.6
213.03754	1.5
227.05499	8.6
231.05014	9.1
245.06531	30.2
263.07574	20.7
339.82950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.8
57.07069	100.0
57.63032	2.0
59.99111	27.0
69.61453	2.0
72.08154	2.8
89.04234	3.4
116.05309	42.8
128.14349	3.3
149.02322	16.8
150.02684	7.9
172.11516	54.0
204.08780	11.6
209.77820	2.2
376.25983	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	393.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38448	1.0
53.03927	2.1
55.01860	5.6
55.05494	6.7
56.52217	0.9
56.60848	0.9
57.03417	7.4
57.07059	6.9
61.02912	4.7
65.03914	2.0
67.05491	100.0
68.30423	1.0
68.99789	1.6
69.03414	39.1
69.07059	7.7
70.06567	1.1
71.04961	7.0
71.08584	3.9
73.02888	2.2
74.41114	1.0
79.05469	2.6
81.03401	17.5
81.07034	17.0
83.04969	1.6
83.08601	4.2
84.04481	2.7
85.02889	73.7
85.06526	16.5
87.00812	44.7
87.04471	1.2
91.03979	1.7
91.05448	7.3
92.09338	2.2
92.17645	1.1
93.07010	7.0
95.04947	1.5
95.08590	14.8
97.02870	27.8
97.10149	2.3
99.04411	6.0
99.08067	1.7
105.01849	37.7
105.06990	2.3
107.08579	10.7
109.02881	12.5
109.10143	65.4
109.12101	1.1
117.06989	2.0
119.08523	1.8
121.02870	2.1
121.10120	18.1
123.08089	1.2
123.11697	1.3
125.09659	1.1
127.03890	30.7
127.11192	11.7
131.08528	4.5
133.10147	1.2
135.11652	5.9
137.05966	2.2
139.11182	5.1
141.06956	10.4
145.04974	9.3
149.02309	38.2
149.05910	1.4
149.13200	2.0
150.02663	21.4
151.02797	5.7
151.03888	2.2
159.02875	4.6
160.86143	1.2
169.06436	6.5
177.16350	18.9
180.12418	1.3
195.17366	8.5
213.18481	1.3
215.06995	34.8
216.09041	1.3
220.26747	1.2
230.53052	1.1
231.04913	6.1
235.13319	1.2
248.53178	1.3
249.06030	1.4
350.69339	1.3
399.68179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0968
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
51.66722	0.5
54.78518	0.5
57.07060	2.1
65.03917	1.3
66.71293	0.5
67.05487	0.5
71.08623	2.8
72.08927	0.5
79.05438	0.5
91.05467	19.8
95.04929	3.7
107.04949	9.5
117.03376	2.2
119.04927	44.7
121.02869	2.3
121.06463	0.7
123.04424	4.0
145.02837	1.0
147.04399	76.0
149.02339	20.8
150.02650	12.2
151.02823	2.3
157.02846	2.2
162.03087	0.8
173.02330	10.6
174.03131	0.7
175.03856	0.6
177.05466	6.4
185.02235	3.8
185.85805	0.5
189.05418	0.6
197.02310	0.6
198.02521	0.5
202.02635	8.5
205.04750	0.5
213.01788	13.6
217.01379	0.7
217.04973	4.8
220.03601	0.7
230.02072	22.4
239.03371	0.8
241.01285	100.0
242.01909	3.1
245.00780	7.9
245.04436	20.5
258.01474	6.5
259.02332	42.7
267.02966	0.7
272.03098	1.0
273.03894	48.4
279.86908	0.6
291.04977	2.3
315.06750	0.7
333.19049	0.7
344.79517	0.5
361.06998	4.0
393.09619	93.2
394.09830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98874	0.5
57.07050	1.8
67.05470	1.2
68.05000	1.1
71.08612	0.8
81.03369	0.5
93.07026	0.6
109.10156	0.6
119.82394	0.6
121.10110	0.5
124.04994	0.6
131.08470	0.5
137.05922	0.7
149.02328	9.5
149.04567	0.8
150.02641	5.4
151.03894	0.8
151.72069	0.5
163.03871	0.5
166.07236	0.9
178.04585	0.5
189.06427	1.1
201.06429	0.9
202.07216	2.5
203.07991	2.1
204.08842	5.9
215.07959	0.9
216.08774	100.0
217.09442	3.1
218.10327	5.8
225.06400	11.8
226.07126	3.9
227.07858	0.7
228.08788	0.8
229.09492	0.8
230.10359	9.2
240.08746	60.2
241.09467	2.3
246.09816	8.2
249.43192	0.5
258.09872	1.9
268.08228	4.9
272.11423	3.2
283.09225	0.7
286.57602	0.7
300.10855	36.0
333.12900	0.7
343.11386	1.1
361.12524	3.0
375.14111	3.1
393.15079	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2688
Annotation	bhos#24
Peak:m/z	Relative Intensity
53.03929	0.7
55.01858	0.4
55.05505	8.6
57.03423	0.6
57.07070	10.8
65.03922	0.8
67.01331	0.5
67.05493	7.3
67.68890	0.4
69.03413	2.5
69.07053	8.3
71.04971	2.4
71.08617	8.3
73.92849	0.5
79.05480	6.0
81.07041	15.5
83.04976	3.9
83.08588	1.9
85.06535	1.0
91.05460	6.7
92.09395	0.8
93.07027	13.0
94.70722	0.4
95.04942	3.4
95.08588	14.0
97.06511	6.0
97.10152	8.3
105.07010	11.5
107.04946	0.6
107.08587	11.4
109.06509	3.1
109.10146	9.7
111.08057	2.3
113.06036	0.6
113.09614	0.7
113.32002	0.4
114.08395	0.5
117.07014	2.1
119.08564	11.1
121.02866	4.8
121.10138	7.8
123.08009	2.5
123.11678	2.4
125.05965	1.8
125.09623	3.2
129.06981	1.9
131.08551	3.1
133.10109	10.3
135.08020	2.0
135.11647	4.4
137.09598	2.7
139.11166	2.1
143.08546	2.0
145.10078	4.6
147.11688	6.5
149.02328	100.0
149.09599	1.9
149.13307	0.6
151.11188	2.4
153.12769	0.6
155.10635	0.8
157.10086	2.9
159.11664	3.1
161.09592	0.8
161.13243	0.9
163.11194	1.9
167.03400	5.6
171.11699	0.7
173.13211	0.6
175.11162	2.3
175.14804	5.1
177.12759	0.5
181.05141	0.5
181.12242	0.5
185.11807	0.5
185.13272	2.7
187.14720	0.6
191.14261	0.5
193.15869	2.2
203.14287	2.6
221.15390	2.3
235.16908	0.5
251.15372	0.6
283.20465	0.6
301.21555	5.0
309.72205	0.4
319.22714	3.4
337.23590	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
56.96555	0.7
57.03432	0.7
57.07063	5.7
61.02912	3.8
61.80648	0.6
61.95627	0.6
64.33640	0.6
65.03919	3.9
69.03420	4.9
71.08614	6.7
71.26727	0.7
73.02879	0.9
79.05479	3.8
81.03391	2.9
85.02892	20.9
85.30562	0.8
91.03923	0.9
91.05459	6.0
92.08738	0.8
93.03397	9.9
95.04961	0.8
97.02872	7.6
99.04469	0.7
107.04948	8.1
109.02838	1.0
110.03639	1.0
111.04427	17.5
117.40799	0.7
119.04918	7.1
121.02843	1.7
121.06484	3.0
125.05975	41.9
127.03869	1.6
135.04405	8.9
137.05966	0.9
145.04926	2.7
147.04401	3.5
149.02327	67.6
149.05963	62.8
149.07225	0.8
150.02669	12.0
151.03874	1.3
151.07556	0.9
153.05452	100.0
163.03900	1.1
165.05382	0.8
167.03357	3.1
167.07018	18.6
177.05418	6.5
180.08632	3.1
195.06505	77.2
213.07538	6.7
230.10251	1.4
270.40073	0.6
319.80020	0.8
341.43109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.2
56.86835	0.2
57.07069	10.1
65.03909	1.0
67.57347	0.2
70.06578	1.8
71.08617	9.8
81.07031	0.3
85.48910	0.2
88.07601	0.8
93.03364	0.3
93.07083	0.2
102.09161	0.3
113.13275	0.3
121.02850	4.3
121.03839	0.3
131.33519	0.2
132.10202	0.4
144.13812	0.2
146.11758	0.5
149.02325	100.0
167.02002	0.2
167.03381	6.2
167.46352	0.2
284.29501	1.0
285.29938	0.2
328.32147	2.0
329.32404	1.1
390.35681	4.0
391.24478	23.1
391.35748	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	391.2324
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.03918	1.1
54.35646	0.6
54.82347	0.7
55.01850	0.8
55.05505	6.7
57.03428	1.0
57.06857	0.6
57.07069	10.5
61.02905	1.3
65.03889	0.6
66.90968	0.7
67.05490	9.4
69.03426	6.9
69.07048	7.4
69.48217	0.7
70.43252	0.6
70.44998	0.7
71.04964	3.2
71.08617	8.6
73.02898	0.8
79.05464	5.2
81.03403	2.8
81.07036	20.5
81.64998	0.7
83.04972	3.5
83.08605	2.7
85.02896	15.2
85.06528	13.0
86.06069	1.0
91.05458	4.6
92.08679	1.1
93.07021	27.8
95.04951	1.8
95.08585	27.1
97.02870	3.3
97.06533	0.8
99.08087	11.2
105.07014	12.7
107.08582	37.9
109.02888	0.8
109.06480	1.4
109.10120	12.3
111.08070	1.8
117.06976	0.7
118.78178	0.7
119.08569	26.7
121.02836	5.4
121.10117	13.1
123.07999	1.0
123.11686	9.2
125.09624	5.2
127.03928	1.3
133.10115	22.2
135.11667	28.6
135.63820	0.7
137.09598	3.3
137.28897	0.7
139.11284	0.6
147.11696	4.4
149.02322	100.0
149.13223	4.0
151.11157	2.7
155.10516	0.8
163.14792	44.8
167.03337	4.8
173.02618	1.5
175.14798	25.2
179.03299	0.8
181.15858	7.0
193.15846	11.9
211.16905	41.7
229.17896	9.3
230.38797	0.7
261.09109	1.0
267.35037	0.8
316.29840	0.8
350.01376	0.8
410.33469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52715	0.4
54.24008	0.4
55.05511	1.1
57.06813	0.7
57.07070	13.5
58.06585	3.5
62.43405	0.5
65.30134	0.4
67.83544	0.5
68.05016	1.3
68.24562	0.5
69.07067	1.0
70.06580	38.2
71.08621	6.5
72.08139	3.5
72.41537	0.4
80.16227	0.5
82.85956	0.5
84.08131	3.3
85.10181	0.8
86.09697	6.3
88.07617	11.7
102.09179	6.6
121.02863	0.6
132.10184	14.6
146.11739	13.4
149.01134	0.9
149.02328	21.1
149.03453	0.9
167.03444	0.9
170.68315	0.5
207.14540	0.5
240.26901	2.8
266.28387	1.1
284.29419	19.7
298.62549	0.7
328.28046	0.8
328.32065	61.0
390.35721	100.0
391.36145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82763	0.2
55.05506	0.3
57.06817	0.4
57.07068	9.1
61.32824	0.3
65.03909	0.6
67.05492	1.0
68.99788	0.3
69.07034	0.3
69.75224	0.3
71.08245	0.3
71.08611	7.8
79.05457	1.2
80.32722	0.3
81.03387	1.2
81.07029	1.4
89.98468	0.3
91.05459	1.1
93.07001	0.3
95.04945	0.6
95.08566	0.5
98.97572	0.3
103.05459	0.4
105.06981	1.1
107.08515	0.3
113.13249	0.4
121.02844	4.7
121.03715	0.5
121.10097	0.4
131.04872	0.5
131.08563	0.6
133.10115	0.4
141.03337	1.1
147.04405	3.8
149.02321	97.4
159.04434	1.0
163.03856	1.5
167.03375	6.3
169.02847	0.4
171.04353	0.3
173.02310	0.4
175.03877	8.7
187.03831	5.6
187.05220	0.4
193.04974	0.5
199.03880	0.5
203.03351	5.6
213.05373	0.4
215.03313	3.0
227.03346	3.6
229.01277	0.5
243.02841	7.1
247.02321	0.7
267.13678	0.3
269.52649	0.3
271.02313	100.0
272.02667	1.2
284.46738	0.3
289.03381	3.9
289.14349	0.3
295.03729	0.3
311.12619	0.5
323.70041	0.3
349.07080	1.2
355.11246	0.3
355.15326	1.5
363.59097	0.4
391.08054	30.9
392.08380	0.4
400.19193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01847	0.3
55.05266	0.5
55.05505	7.2
55.05917	0.3
56.96548	0.3
57.07064	0.6
61.02866	0.3
67.05487	2.1
69.03429	2.4
69.07063	7.7
70.06554	0.4
71.04978	4.0
74.17756	0.3
76.56257	0.3
78.30535	0.4
79.05486	2.7
81.03429	0.7
81.07046	9.1
83.08614	3.2
83.29665	0.3
85.02892	5.5
85.06533	0.5
86.09669	0.4
91.05460	8.5
92.63639	0.4
93.07021	5.2
95.04894	0.4
95.08590	11.7
97.02863	0.8
97.06503	0.5
98.97562	0.4
99.04426	0.5
100.11234	0.3
103.05447	0.6
105.07018	23.3
105.91483	0.4
107.08577	17.3
109.02850	0.4
109.06516	0.8
109.10150	0.7
117.07010	4.0
119.08565	100.0
121.10122	3.2
123.11713	3.4
127.03869	1.7
131.08498	1.1
133.10104	21.9
135.11688	1.5
137.05981	0.5
145.04906	0.7
145.10077	1.4
147.11664	4.1
149.02328	3.5
159.11687	0.4
163.06042	0.5
175.14792	45.2
229.11305	0.4
233.10211	1.7
271.02338	0.6
308.15768	0.4
310.14157	0.3
320.09125	0.4
340.10626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88875	0.6
54.67749	0.6
54.88839	0.6
55.05515	4.9
57.03410	0.7
57.07074	5.0
58.06579	0.6
67.05503	9.2
67.50011	0.6
69.03429	1.1
69.07057	9.6
71.91531	0.6
74.58197	0.6
79.05479	3.2
81.07038	9.5
83.08612	1.2
85.02877	0.8
85.06519	1.4
91.05486	7.5
93.07030	8.8
95.04950	1.5
95.08590	31.4
104.56572	0.6
105.07027	19.3
106.07370	1.3
107.04928	0.9
107.08569	8.4
109.06473	1.4
109.10150	34.4
109.74284	0.7
110.32631	0.7
117.07024	1.1
119.08569	71.5
121.10155	5.3
123.11684	1.2
131.08559	3.2
133.10114	78.8
135.11699	9.2
137.06023	0.7
137.09613	11.4
145.10127	6.4
147.11671	21.3
148.04861	0.9
149.02315	5.5
149.13251	5.3
151.14819	4.4
159.11633	1.0
160.12463	4.5
173.13245	0.8
175.14799	100.0
186.09120	0.7
193.15862	25.0
205.86870	0.7
221.47501	0.7
236.14845	1.3
261.26013	0.7
307.98273	0.7
313.67792	0.7
408.72208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03124	0.6
55.05508	7.3
57.07063	1.5
65.45137	0.7
67.05477	1.8
69.03408	1.3
69.06779	0.6
69.07064	9.4
71.04971	4.3
79.05462	2.9
79.23128	0.7
81.07049	9.7
83.08615	2.9
85.02879	3.9
91.05456	12.5
93.07027	7.0
95.04957	1.2
95.08602	8.8
103.05435	0.8
105.06371	1.1
105.07021	20.7
107.08597	14.1
109.06518	1.0
109.10108	2.7
117.06968	3.9
119.08566	100.0
121.10062	1.8
121.70560	0.8
123.11688	3.4
130.05475	0.8
131.08521	1.2
133.10120	22.8
145.10072	1.0
147.11658	5.3
149.02330	4.2
159.11452	0.8
162.73070	0.7
163.81039	0.9
175.11089	0.9
175.14790	40.1
176.44882	0.8
177.99718	0.7
193.12154	1.8
195.37628	0.7
211.13298	1.3
215.09140	0.9
223.25754	0.8
233.10214	1.3
252.58823	0.7
355.15674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01867	3.1
55.05507	13.2
57.03425	2.0
59.05009	1.0
61.02916	2.0
67.05491	11.5
69.03412	7.0
69.07048	8.2
71.04984	8.3
73.02902	1.0
77.03912	1.0
78.74204	0.7
79.05476	27.4
81.03404	4.4
81.07031	13.9
83.04961	1.8
85.02892	13.0
85.06544	1.0
87.00836	0.7
87.04461	3.8
91.05464	88.4
93.07026	58.9
95.04943	12.7
95.08559	0.9
97.02887	3.1
97.06518	5.6
99.04465	1.7
99.69582	0.7
101.05998	1.1
105.04520	1.7
105.07016	97.8
107.08583	7.1
109.02842	1.5
109.06537	3.0
115.05435	1.7
116.06281	1.1
117.06994	4.8
118.07730	1.0
119.08562	83.2
124.07616	3.5
125.05997	9.1
126.25770	1.0
127.03935	3.4
128.06238	1.3
129.06985	36.0
131.08559	30.1
133.06479	3.1
133.10109	100.0
142.07716	5.0
142.08661	11.0
145.10156	3.5
147.08025	4.5
147.11665	39.6
157.10097	12.1
175.11162	61.8
193.12212	71.2
377.47925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03124	0.6
55.05508	7.3
57.07063	1.5
65.45137	0.7
67.05477	1.8
69.03408	1.3
69.06779	0.6
69.07064	9.4
71.04971	4.3
79.05462	2.9
79.23128	0.7
81.07049	9.7
83.08615	2.9
85.02879	3.9
91.05456	12.5
93.07027	7.0
95.04957	1.2
95.08602	8.8
103.05435	0.8
105.06371	1.1
105.07021	20.7
107.08597	14.1
109.06518	1.0
109.10108	2.7
117.06968	3.9
119.08566	100.0
121.10062	1.8
121.70560	0.8
123.11688	3.4
130.05475	0.8
131.08521	1.2
133.10120	22.8
145.10072	1.0
147.11658	5.3
149.02330	4.2
159.11452	0.8
162.73070	0.7
163.81039	0.9
175.11089	0.9
175.14790	40.1
176.44882	0.8
177.99718	0.7
193.12154	1.8
195.37628	0.7
211.13298	1.3
215.09140	0.9
223.25754	0.8
233.10214	1.3
252.58823	0.7
355.15674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01869	0.7
56.64679	0.4
57.03430	1.4
61.02928	4.4
69.03407	6.0
71.04985	0.9
73.02890	1.1
79.05473	0.7
81.03395	3.1
83.02221	0.6
83.04937	0.5
85.02896	25.3
87.04443	1.0
91.03901	0.6
91.05453	1.1
97.02870	7.8
99.04444	1.1
105.07001	3.4
107.04944	100.0
109.02881	2.2
119.08570	3.8
127.03891	2.5
131.04965	1.0
133.06473	77.3
145.04959	3.0
147.08029	41.0
175.07520	49.4
175.71255	0.6
193.08569	25.4
211.09631	21.5
312.73676	0.6
315.43546	0.6
320.08163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96282	1.1
56.96556	21.8
58.23519	0.4
63.56952	0.5
67.05495	0.5
69.20289	0.5
70.95578	0.4
71.95246	2.1
77.75482	0.4
79.05456	0.6
84.96006	0.5
86.11051	0.4
97.28107	0.5
97.96787	0.6
98.97549	2.6
110.97556	3.2
115.00686	0.6
116.98573	2.1
123.08149	0.5
128.98590	8.1
133.01691	0.6
134.99609	1.0
137.02643	0.8
142.21368	0.5
145.01712	0.8
146.99648	7.8
149.01184	1.9
149.02330	0.8
153.02072	0.6
157.01714	0.7
159.03296	0.5
161.01242	1.9
163.02882	0.6
165.00656	0.5
167.03654	0.6
171.03282	3.4
173.04793	1.1
175.02730	0.9
179.02274	0.6
183.03258	2.3
183.06926	0.7
184.00264	0.5
185.04790	4.8
187.02806	0.8
189.04317	2.8
193.03783	0.5
195.05412	0.6
199.06421	2.4
201.04367	2.5
201.07942	1.0
202.01364	0.5
202.05148	0.5
203.05876	8.8
205.07491	3.1
211.06415	0.8
213.07945	2.1
217.07408	3.8
223.02757	2.2
223.06378	1.6
223.08493	4.2
225.04121	0.6
225.07909	1.0
229.07451	3.1
231.09053	0.6
237.04317	5.0
237.08000	1.9
239.09500	2.9
241.07315	1.0
243.09052	0.8
247.08434	0.6
249.04340	0.5
255.05415	3.1
255.09044	6.0
257.10544	2.1
267.08972	0.7
269.06839	0.6
271.02359	0.8
273.10071	2.9
279.08945	0.8
280.09744	2.3
281.10489	0.9
285.09967	0.6
289.14612	0.7
293.06946	0.7
293.10513	1.0
298.11176	0.6
299.11679	1.1
307.15680	0.8
311.08151	0.8
311.11664	1.7
331.11874	1.0
331.15762	29.1
349.16791	100.0
350.16943	0.6
367.14011	2.0
367.17914	21.0
372.18420	1.2
385.15100	0.9
390.19525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.92547	1.5
53.00282	1.5
53.11795	1.5
55.01865	1.6
55.05509	15.2
57.03425	3.1
57.07063	3.9
61.02928	2.6
65.21479	1.3
67.05498	17.8
67.79290	2.0
69.03432	19.5
69.07056	17.8
71.04974	8.9
79.05464	12.5
81.03428	2.2
81.07041	33.6
83.04971	8.9
83.08593	3.1
85.02900	18.8
85.06527	11.6
87.29736	1.8
91.05453	15.3
93.07027	40.0
95.04954	11.2
95.08592	42.0
97.02902	3.5
97.06508	11.5
99.04447	4.0
99.08057	3.5
105.07010	28.4
107.08586	100.0
107.09296	3.8
109.06512	26.0
109.10142	36.6
111.08061	4.2
117.06963	2.4
119.08569	26.4
121.06527	9.9
121.10131	55.8
123.08050	20.9
123.11703	2.9
125.09593	3.0
127.03934	3.9
127.11175	2.5
127.60819	1.9
131.08545	27.9
133.10109	63.5
135.08026	17.7
135.11717	12.2
136.03947	4.2
137.09595	30.5
137.13271	4.1
139.11174	7.2
143.08595	2.0
145.10081	15.2
147.11679	19.6
149.09596	29.3
149.13258	45.5
151.11169	33.3
153.09096	1.7
158.10918	3.6
161.13266	3.7
163.14810	19.4
165.12714	2.8
167.10730	2.6
173.13231	49.0
177.05482	1.9
191.14287	81.4
192.10165	22.1
197.32774	1.9
209.15355	54.9
227.16379	42.7
245.47433	1.8
369.25314	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	389.2166
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03938	2.8
55.05504	11.6
57.03436	3.1
57.07055	9.7
61.02908	4.0
67.05482	11.5
69.03407	12.7
69.07068	20.0
69.07359	2.2
71.04988	9.2
78.16006	2.5
79.05461	5.7
80.04990	5.7
81.03387	4.5
81.07037	18.2
83.04928	3.2
83.08640	3.4
85.02891	31.6
85.21484	2.5
91.05434	6.0
92.19229	3.4
93.07027	20.5
95.08577	40.9
97.02887	4.6
97.06501	4.1
97.10128	3.1
99.08033	3.4
105.07008	15.7
107.08572	47.4
109.06564	3.4
109.10159	28.1
114.37703	3.5
119.08546	13.6
121.10119	52.5
122.09634	4.6
123.08040	6.8
123.11682	6.6
125.09636	2.8
127.03878	4.5
127.11162	26.2
131.08534	16.3
132.95822	2.8
133.10100	39.3
135.08003	18.0
135.11687	18.1
136.03871	3.8
137.09596	19.9
137.13222	17.8
138.05461	3.7
145.10103	5.3
147.11646	11.0
148.27873	2.6
148.69519	2.9
149.09604	95.3
149.13261	28.0
151.11125	19.6
158.10922	5.8
163.14803	25.2
164.10669	3.6
165.12697	13.7
167.14281	3.3
173.13235	33.3
190.23950	3.3
191.14272	56.6
192.10172	90.9
209.15317	38.6
227.16397	100.0
391.22745	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	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03945	1.5
55.05504	5.0
56.26318	0.9
57.03426	4.4
58.60884	0.9
59.04985	1.8
61.02928	2.0
67.05499	10.1
69.03423	9.7
69.07067	6.7
71.04979	13.7
71.30687	0.9
73.02916	1.1
79.05454	3.1
81.03423	3.9
81.07043	10.3
83.04967	4.8
83.08598	2.2
85.02895	29.8
85.03395	1.0
85.06541	7.4
91.05433	7.1
93.07021	17.8
95.04947	100.0
95.08575	9.3
95.36980	1.0
96.05293	1.4
97.02880	9.5
97.06522	9.3
97.78192	0.9
99.03821	1.7
99.04431	22.2
99.08062	13.6
105.07009	11.5
107.08578	26.0
109.02891	3.6
109.06487	9.4
109.10142	44.4
109.10855	1.9
115.07572	5.9
117.07056	1.1
119.08570	8.0
121.10125	13.1
123.08065	1.6
123.11683	17.9
125.09605	3.9
127.03914	5.4
127.07528	4.0
128.70250	0.9
131.08548	14.6
133.10109	74.9
135.08046	3.9
135.11627	1.4
137.02332	1.7
139.11195	6.2
143.08543	1.5
145.04921	1.0
145.10141	5.0
147.04404	1.4
147.11673	4.1
149.09602	7.8
149.13266	8.5
151.11183	12.8
153.09074	26.2
153.12749	4.0
155.07027	1.2
158.10857	2.0
163.03902	1.1
163.14771	3.8
165.85562	1.0
169.12251	6.2
173.13214	23.6
181.04898	1.5
182.08183	1.1
183.08534	1.4
191.14267	29.3
204.70627	1.2
209.15329	59.1
227.09166	2.0
227.12665	1.3
227.16312	9.0
298.70944	0.9
319.97546	1.2
346.87073	1.1
389.17932	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.43962	1.5
55.05498	14.0
57.03424	4.2
57.07053	3.5
61.02905	3.4
61.89486	1.4
64.30349	1.5
65.03890	1.4
67.05252	1.4
67.05492	22.7
69.03419	27.4
69.07056	18.1
71.04981	16.2
79.05473	13.6
81.03406	3.3
81.07036	39.0
81.22992	1.9
83.04958	10.3
83.08612	3.9
85.02898	25.3
85.06525	11.6
91.05465	14.6
93.07024	57.9
95.04949	7.4
95.08592	50.4
97.02873	4.0
97.06525	16.7
99.04435	8.0
99.08073	3.8
103.05492	1.7
105.03432	1.9
105.07013	43.2
107.04909	2.5
107.08581	100.0
107.09299	4.2
109.02878	3.4
109.06505	35.0
109.10139	53.6
111.08076	2.8
117.06976	2.5
119.08554	29.8
121.06461	13.7
121.10127	64.6
123.08047	29.9
123.11680	8.8
125.09592	3.4
126.17426	1.6
127.03931	2.5
131.08549	36.2
133.09175	3.3
133.10110	67.9
135.08017	22.5
135.11632	13.3
137.09601	30.0
137.13213	3.0
139.07529	2.2
139.11154	9.2
143.08586	3.1
145.10144	14.9
147.11678	21.0
149.09602	33.4
149.13243	52.4
151.11165	41.7
153.09120	3.5
158.10905	2.6
161.13246	3.5
163.11124	3.5
163.14781	25.9
167.10687	1.9
169.12280	1.9
173.13225	52.7
179.03423	2.5
191.14273	94.6
192.10136	15.7
209.15340	59.2
227.16394	33.6
356.19601	2.0
390.11380	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01860	1.5
55.05497	5.1
57.03444	1.1
57.07067	4.4
67.05476	6.3
69.03415	14.2
69.07064	8.6
71.04980	1.4
71.23222	0.9
79.05485	12.5
81.03407	2.1
81.07040	9.4
83.04980	2.1
83.08608	6.0
85.02890	13.8
91.05450	29.3
93.07026	19.0
95.04938	5.4
95.08580	9.0
97.02883	1.7
103.05418	1.7
105.07017	31.6
107.04951	4.5
107.08580	51.2
108.05250	1.0
109.02919	1.0
109.06507	4.8
109.10152	3.5
114.37312	0.8
115.05427	3.8
116.06236	1.5
117.07002	12.3
119.08556	39.2
121.06478	10.7
121.10120	28.8
121.10965	1.1
123.08060	5.9
127.03902	1.5
128.06192	1.7
129.07008	11.5
130.07773	1.8
131.08543	100.0
133.10107	26.9
135.08032	3.9
135.11670	16.1
137.05971	1.6
142.07773	1.1
143.08543	28.3
143.09596	1.6
144.09328	7.2
145.08969	1.6
145.10100	33.7
147.11668	20.8
149.09621	1.3
149.13243	17.0
156.09320	3.9
157.10094	1.3
158.10875	42.1
161.09673	1.3
161.29597	1.0
163.11070	1.4
163.14806	11.4
171.11687	2.0
173.13225	83.4
175.14793	6.9
191.14273	33.0
191.15894	1.7
193.15831	0.9
199.85744	0.8
335.18457	1.5
353.19708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05497	0.2
57.03421	0.2
63.07425	0.1
69.03416	1.2
70.06573	0.4
71.17723	0.1
71.18169	0.2
78.03465	0.2
80.04996	5.9
81.03411	0.4
81.10205	0.2
83.04950	0.2
85.02890	0.4
85.06559	0.2
85.66881	0.2
87.04447	0.2
96.04464	2.0
97.02868	1.1
98.97561	0.3
99.04435	0.3
106.02926	0.3
108.08101	2.0
116.98662	0.2
120.57678	0.2
122.05939	0.2
123.05531	100.0
124.03919	0.7
124.05920	0.2
124.07516	0.2
129.05458	1.3
134.06010	0.8
136.07538	0.3
140.07018	0.2
151.08665	0.8
152.07037	2.2
166.05121	0.2
171.38283	0.2
176.85309	0.2
176.97290	0.2
209.09178	0.2
227.10205	0.7
245.00749	0.2
389.15341	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
53.61207	1.1
55.01862	6.3
55.05519	10.3
57.03418	5.2
57.35408	1.1
58.99574	20.7
61.02906	3.2
64.33811	1.4
64.81036	1.4
65.52911	1.2
67.05492	20.0
68.99774	1.4
69.03423	18.8
69.07041	3.5
71.04985	17.6
73.02879	5.2
76.02209	100.0
76.03993	3.6
79.05471	25.1
79.26366	1.4
79.79142	1.2
81.03409	24.0
81.07040	24.3
82.03723	3.4
82.47541	1.3
83.04963	8.2
85.02885	34.4
85.06519	1.9
86.03218	3.5
86.09645	1.5
86.99028	8.2
87.00813	15.8
87.04427	1.6
91.05465	53.9
93.07026	33.5
95.04945	11.4
95.08582	8.0
97.02871	22.6
97.06500	7.9
98.03211	6.3
99.04434	38.9
100.04680	1.4
105.01878	12.1
105.07015	86.7
106.02229	1.7
107.08588	24.5
108.04428	1.4
109.02859	9.8
109.06511	12.1
109.10161	2.5
110.03183	2.1
116.01664	34.1
117.06995	3.4
119.04931	17.0
119.08562	35.7
121.06552	1.7
121.10121	27.3
123.08012	3.1
124.48000	1.6
127.03875	14.3
128.04198	5.9
129.06987	15.9
131.08546	71.4
133.06490	2.9
133.10110	45.8
135.07977	2.1
135.11650	10.7
142.07744	5.3
143.08551	1.9
144.01141	19.7
145.04936	8.3
145.10068	10.9
147.04401	57.6
147.11664	21.9
149.09570	7.0
149.13263	1.9
151.03880	3.1
151.11165	3.5
153.06944	1.4
157.10100	8.5
159.02858	6.5
160.03249	1.6
162.02174	62.7
163.11162	6.4
173.13234	1.8
175.11150	26.6
179.04822	79.1
181.12199	2.4
183.13739	3.5
191.14288	2.7
193.12227	12.5
209.15297	6.2
227.16460	13.0
389.12469	2.3
389.17194	11.0
411.20297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01871	6.3
57.03424	4.4
61.02906	5.7
61.03188	0.7
68.99786	1.9
69.03416	27.5
69.35579	0.7
71.04977	2.0
72.90411	0.7
73.02903	6.1
79.05464	1.2
81.03403	21.6
85.02892	74.3
87.00813	32.0
91.03937	1.8
91.05454	0.9
92.48415	0.8
93.07069	1.1
97.02873	20.6
99.04425	11.9
103.05466	1.1
105.01846	27.9
105.07014	100.0
107.08597	1.1
108.04472	1.4
109.02865	19.0
111.87859	0.8
117.01833	3.9
119.08591	3.3
126.05473	0.8
127.03896	33.1
129.01819	1.9
131.08530	1.0
133.10123	1.0
137.05948	1.1
145.04938	13.0
147.02849	1.2
159.02858	10.5
173.13159	1.0
179.45871	0.9
189.03931	1.2
213.03926	1.5
213.09033	1.0
231.04988	11.3
249.06058	4.9
388.15961	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.7
53.03930	1.0
55.01860	0.6
55.05507	1.5
56.96545	0.6
57.03425	0.9
57.07065	0.6
61.02893	0.8
67.05497	4.9
69.03416	23.2
69.07050	7.0
70.06567	0.8
71.04973	1.5
71.09192	0.6
79.05470	3.4
79.38536	0.6
81.03391	1.1
81.07030	7.4
83.04974	4.5
83.08579	1.3
85.02892	9.6
86.09689	1.3
91.01165	0.6
91.05460	3.5
93.07027	8.3
95.04938	1.4
95.08009	1.2
95.08588	23.1
97.02854	2.3
97.06518	16.0
98.97553	0.6
99.04462	0.6
105.07019	8.2
107.08577	24.5
109.02855	1.0
109.06508	17.7
109.10152	9.0
111.04414	0.9
111.08067	0.8
114.06872	0.6
117.06991	1.2
119.08552	9.4
121.06483	7.5
121.10128	15.4
123.08050	6.2
123.11700	5.7
127.03896	2.4
129.06999	0.7
131.08540	13.9
133.10123	12.7
135.08031	22.0
135.11656	10.4
137.09676	2.4
139.03911	6.0
140.04216	3.8
143.08525	3.8
144.09267	1.0
145.10085	11.3
147.11661	5.0
148.08792	0.8
149.09595	13.1
149.13239	8.8
155.95683	0.6
158.10899	10.2
161.09628	1.0
163.11162	0.7
163.14771	5.8
171.11681	1.0
173.13232	53.4
176.11948	2.6
191.14285	100.0
209.15346	50.4
224.37675	0.6
264.05420	0.6
272.99210	0.6
282.49057	0.7
352.07547	0.7
395.18893	0.6
403.27582	0.6
414.32724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.81932	0.1
55.01849	0.3
55.05485	0.2
55.63153	0.2
57.03428	0.3
61.02911	0.4
63.66616	0.2
68.70099	0.2
69.03417	3.9
69.03768	0.3
70.59334	0.1
71.04977	0.3
73.02901	0.4
77.03905	0.2
79.05475	3.2
81.03401	1.9
85.02891	7.0
87.00814	3.4
91.05460	0.7
93.07021	0.3
95.04953	1.0
97.02866	3.4
99.04440	1.2
103.05454	2.6
105.01857	4.5
105.07017	100.0
106.07356	0.6
109.02886	1.8
112.94002	0.2
117.07019	0.2
119.08598	0.4
122.09614	0.3
123.71855	0.2
127.03901	5.5
129.01752	0.2
129.06946	0.2
131.08557	0.8
133.10107	0.2
143.08543	0.3
145.04942	2.7
145.10089	0.3
147.08093	0.2
149.13133	0.2
159.02885	0.7
159.08003	0.2
165.09120	1.6
166.09465	1.0
173.13359	0.3
191.10606	0.3
191.14258	0.4
210.17992	0.2
213.03844	0.2
213.09076	0.2
231.04999	1.6
241.33554	0.2
249.06056	2.1
257.34216	0.2
320.58701	0.2
332.62598	0.2
334.77612	0.2
397.99319	0.2
409.71878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	1.3
55.05480	0.7
57.03426	0.9
58.49879	0.5
61.02934	0.6
67.05496	0.6
68.99752	0.6
69.03413	5.9
69.07039	0.8
71.04967	0.7
73.02898	0.9
79.05470	3.1
81.03407	4.6
81.03838	0.5
81.07048	0.8
83.04867	0.5
85.02888	12.8
87.00829	6.3
91.05456	1.1
91.52678	0.5
93.06987	2.0
95.04947	1.0
97.02861	5.1
99.04441	1.3
103.05463	1.1
105.01850	3.3
105.07015	100.0
106.06570	1.1
107.08588	1.0
109.02873	3.4
119.08578	5.5
121.56262	0.5
122.06035	0.8
127.03899	5.9
131.08556	1.1
133.10107	2.4
135.08110	0.8
138.09134	0.8
139.03937	0.7
143.08539	1.4
145.04938	2.2
147.08049	1.1
147.11681	2.8
157.10115	0.9
159.02879	2.3
159.08089	1.1
164.07097	1.0
173.13264	1.3
174.24649	0.6
175.14906	0.7
185.09760	0.7
189.03960	0.8
189.09074	0.8
191.10600	1.0
195.07930	0.6
209.11644	0.7
213.09122	2.3
226.11780	0.6
231.04950	0.8
231.10081	0.9
347.53030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.11870	0.3
53.38611	0.2
55.05268	0.4
55.05505	7.4
63.78692	0.3
67.05473	2.1
69.03432	0.4
76.26371	0.3
79.05496	0.3
80.79520	0.3
81.07047	0.8
83.04968	0.5
84.06064	0.3
85.02867	2.8
91.05458	1.3
93.07018	0.6
95.08588	3.7
97.02853	0.4
105.06989	0.6
107.08533	0.7
109.02794	0.5
109.06535	0.4
109.10149	4.1
119.08593	2.9
121.10079	0.4
122.07261	1.3
123.08033	1.7
123.11665	2.2
127.05257	0.3
135.08025	3.5
137.09584	11.2
138.06760	0.5
147.11690	1.5
149.09567	1.3
150.23935	0.4
151.07503	7.3
152.08330	2.3
153.09067	10.8
161.13184	0.5
161.74576	0.4
165.09074	100.0
179.14331	0.4
184.82199	0.3
189.12749	1.6
192.11449	0.6
207.11867	0.7
207.13760	12.9
225.14816	30.4
310.06436	0.4
337.86493	0.3
340.76273	0.4
387.09845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1056
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
50.95920	0.3
53.28315	0.4
55.05496	2.1
57.07065	0.4
57.94392	0.4
65.03921	0.5
66.04717	0.6
67.05483	2.0
69.03429	0.4
69.07059	2.1
71.08611	4.7
75.04463	0.6
78.66657	0.3
79.05470	2.7
81.07039	3.5
83.08588	0.7
91.05447	4.7
92.08657	1.2
93.07017	2.3
94.04193	0.6
95.04959	1.9
95.08582	3.1
97.06471	0.6
97.10100	0.7
99.08080	2.8
104.04974	11.0
105.03407	0.4
105.05757	27.7
105.06911	0.8
106.06548	5.2
107.04982	0.6
107.07333	2.3
107.08555	2.3
108.04487	0.6
109.06507	3.2
109.10125	0.8
116.04958	1.6
117.05741	2.5
118.06545	4.3
119.03664	12.5
119.08553	0.7
120.04452	16.5
121.06481	3.7
121.10143	0.7
123.06785	6.5
123.11614	0.5
128.04950	0.7
129.01054	0.5
130.02875	3.3
131.09837	0.4
132.04428	23.3
133.05212	50.4
134.02406	1.0
134.05998	9.6
135.06804	0.7
145.07739	0.4
146.06010	5.1
148.03891	2.2
149.04706	52.3
149.13171	0.6
153.12714	0.4
161.04582	0.5
162.05482	20.4
163.06258	100.0
164.07043	30.6
164.08119	0.7
165.12729	2.2
179.05737	1.7
193.15828	0.7
194.08110	26.0
201.40704	0.4
204.08043	0.7
215.34100	0.4
216.06764	0.5
218.08405	0.9
219.09042	0.5
234.07965	0.4
235.16910	0.5
243.07790	0.9
253.05217	2.3
261.08899	1.9
291.22998	4.7
296.05783	13.0
309.24203	6.6
324.05307	1.8
353.26804	12.0
356.07770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.7
54.81823	0.7
55.01864	13.8
57.03429	7.7
60.04511	1.7
61.02917	9.2
68.99778	4.7
69.03417	43.2
71.04974	6.3
73.02895	14.0
73.75267	0.8
81.02923	1.9
81.03399	44.4
83.01336	0.9
85.02892	100.0
87.00815	54.3
87.01355	1.3
87.04467	1.2
91.03940	3.9
97.02872	62.9
99.00738	0.8
99.04433	17.8
105.01855	35.3
105.07037	0.8
108.04459	9.0
109.02864	32.3
117.01835	7.1
119.08494	1.2
126.05493	4.4
127.03899	58.5
128.81627	0.9
129.01828	5.8
144.89597	0.9
145.04947	30.8
147.02896	2.0
159.02872	23.1
213.03976	1.5
231.04955	8.8
248.07553	3.6
249.06114	1.5
312.73111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.0
53.03946	13.9
53.26902	0.9
55.01865	5.5
55.05502	5.0
57.03425	13.2
57.07058	1.1
58.02948	1.1
61.02914	9.8
63.30533	1.1
65.03936	1.9
65.59606	1.3
67.05499	26.3
68.99773	6.7
69.03066	2.2
69.03419	50.9
69.07048	1.9
70.06563	2.0
71.04981	5.5
73.02895	6.3
79.05473	13.7
81.03402	48.3
81.07033	17.6
82.03732	1.2
85.02892	95.3
85.06533	1.6
86.03212	2.2
86.09682	6.4
87.00815	29.2
91.05463	7.9
91.22453	1.3
92.08695	2.6
93.07009	7.1
95.04951	12.1
95.08591	22.1
96.04524	1.8
96.08906	5.3
97.02876	19.9
97.06512	4.6
98.06011	1.8
99.04437	5.2
103.03915	7.9
105.01837	14.3
105.07005	14.2
106.07343	2.3
107.08569	10.8
108.08115	22.9
109.02864	24.2
109.06510	6.5
109.10156	3.1
110.06041	1.7
119.08569	20.3
120.08897	5.2
121.06496	2.0
121.10123	10.6
122.06010	6.8
122.09605	1.7
122.10421	1.4
123.08050	6.2
123.11678	2.0
124.07568	1.3
125.05965	16.2
126.05482	15.3
126.09120	7.9
127.03885	26.7
129.01819	5.0
131.08546	6.4
133.06490	3.1
133.10115	10.7
134.10429	1.8
135.08034	5.7
135.11673	16.0
136.07541	33.7
136.11989	6.7
137.09639	2.3
140.07054	16.0
145.04919	2.3
145.10101	6.2
146.09595	1.8
147.04333	2.0
147.08060	2.4
147.11676	9.5
148.11978	2.2
149.09592	18.3
150.09056	5.9
150.10045	2.8
151.07497	2.1
152.07042	100.0
154.08623	9.3
161.13232	21.7
162.13586	8.4
163.11128	1.5
164.07036	40.5
164.10657	1.9
171.02870	5.1
171.11694	1.6
178.08603	25.5
182.08095	86.8
189.03941	10.8
189.12674	15.7
190.13094	7.1
192.10156	16.7
198.64642	1.3
202.08655	3.0
206.08101	16.7
207.13770	15.5
208.14145	9.0
220.09706	15.7
225.14742	2.3
231.05026	2.7
248.09125	83.2
266.10165	1.7
285.17331	1.4
308.11285	2.4
334.09247	7.6
388.20383	1.6
388.78931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.32419	1.9
53.03940	9.4
55.01867	4.7
55.05501	10.0
57.03430	14.0
57.07063	2.8
61.02923	14.5
67.05500	12.6
69.03417	58.4
69.07054	10.7
70.06547	2.3
71.04972	12.3
73.02914	8.7
73.50426	2.0
79.05486	10.0
81.03408	25.9
81.07033	19.8
83.01304	2.3
83.05001	6.9
84.05392	1.8
84.08127	2.6
85.02890	100.0
86.03217	2.0
86.09714	2.9
87.00806	3.1
87.04449	3.5
90.79534	1.9
91.05469	18.8
93.07016	18.0
95.04970	8.9
95.08588	66.6
97.02882	34.1
97.06525	4.9
99.04430	8.0
104.03772	1.9
105.07025	42.9
107.04948	2.3
107.08581	34.0
109.02885	11.0
109.06499	4.8
109.10142	19.6
114.37683	2.4
117.07026	4.0
119.04919	3.8
119.08564	63.6
121.06490	2.5
121.10130	38.8
123.08074	25.8
123.11697	11.9
125.05978	13.3
127.03918	15.1
131.08540	16.0
133.06483	8.5
133.10132	32.5
135.08006	8.8
135.11682	64.4
136.07582	8.0
137.09610	20.9
137.13292	10.2
143.08606	2.4
145.05009	4.2
145.10124	9.6
147.04396	2.5
147.08043	11.0
147.11684	38.7
149.09607	89.9
151.07516	11.2
152.07053	10.7
156.09334	5.0
159.08055	2.5
161.09612	2.6
161.13237	90.1
163.11134	4.7
164.07050	2.8
165.12762	3.9
171.11674	9.2
174.10411	11.5
179.14313	3.4
182.08138	9.9
189.12724	67.6
189.14430	2.8
207.13785	63.3
223.13281	5.0
224.13620	9.5
225.14975	14.9
248.09103	5.0
371.39746	2.1
387.19839	12.7
389.38510	2.1
403.04684	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	386.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49224	1.7
53.00300	2.0
53.03928	3.1
55.01865	4.4
55.05506	19.0
57.07063	3.2
59.04999	2.1
67.05502	43.8
69.07055	5.2
71.04985	51.3
71.08620	28.8
78.04705	2.1
79.05481	46.5
81.03399	3.4
81.07054	31.7
83.04971	12.8
85.06517	2.6
91.05469	100.0
92.08720	4.9
93.07029	47.9
95.04943	17.3
95.08585	12.2
97.06522	13.0
99.04482	3.5
99.08055	10.4
105.07018	52.8
107.04935	5.0
107.08601	17.4
109.06483	3.2
111.08089	4.6
115.05428	3.2
117.06226	4.6
117.07005	89.5
117.07832	3.1
119.08565	28.5
121.06489	10.6
121.10099	5.3
123.08073	9.2
128.06184	5.2
129.06978	36.4
131.08549	91.9
133.06519	5.4
133.10109	12.3
135.08012	19.9
141.06973	37.2
141.12746	3.9
142.07747	9.7
143.08549	21.3
145.06516	3.7
145.10101	33.6
147.08084	3.9
147.11763	3.4
149.09625	9.0
151.11136	3.9
155.08524	25.7
157.10114	42.9
159.08069	11.3
159.11671	57.4
161.09648	3.5
161.13217	3.8
162.71692	2.0
169.10123	20.3
171.10297	2.6
171.11664	8.9
173.13228	16.5
177.09093	10.0
181.10043	4.6
183.11711	30.4
185.13232	8.3
187.11143	16.1
201.12721	42.2
203.14160	3.5
205.12260	5.2
217.15936	2.9
219.13808	32.6
239.18050	3.0
251.16360	4.8
269.27814	2.3
283.20349	6.9
301.21564	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	386.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01867	2.8
57.03418	4.7
61.02903	2.3
69.03107	1.1
69.03421	16.0
70.06577	6.0
71.04971	2.6
73.02893	2.3
80.04980	1.0
81.03394	17.2
85.02891	40.3
85.37260	1.1
87.00813	14.2
87.04465	1.2
91.05461	4.4
93.07024	8.6
95.04955	2.1
97.02879	18.1
99.04435	8.2
103.05441	4.2
105.01835	7.7
107.04932	1.9
108.04487	1.7
109.02843	10.3
114.38210	1.1
114.59856	1.0
117.01821	1.7
121.06485	100.0
126.05489	1.6
127.03887	21.9
129.01859	1.5
129.06995	1.0
135.08020	2.0
139.03886	1.4
145.04936	11.0
145.10104	1.0
148.66476	1.1
159.02867	8.6
189.09174	1.2
189.12749	1.4
231.04944	2.4
307.33243	1.2
328.64423	1.4
383.81909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
57.03428	1.3
57.16879	0.5
58.06596	2.9
59.05004	0.6
61.02911	3.8
68.04997	0.6
69.03415	10.6
71.04968	0.6
73.02897	1.0
78.91596	0.5
79.05468	1.2
81.03402	5.2
83.70104	0.6
85.02887	20.5
85.03366	1.1
87.04458	0.7
91.03961	0.6
91.05462	3.7
92.08675	1.3
93.07056	0.6
97.02895	7.1
99.04434	1.2
99.06793	0.7
99.31667	0.6
103.05440	5.5
105.07014	26.9
107.04943	3.7
109.02873	2.8
118.06496	10.6
119.07307	0.7
120.08083	19.9
122.98586	0.5
127.03924	2.9
128.06200	3.8
130.06523	0.9
131.04921	3.5
131.07306	1.3
131.08488	0.9
132.08102	2.2
143.08542	2.9
145.05080	0.7
159.98666	0.6
160.11185	100.0
178.12234	71.6
180.91258	0.5
206.11739	12.0
224.12778	76.5
307.08701	0.6
331.71353	0.6
350.15961	0.6
386.17944	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01866	2.7
57.03431	37.2
59.04985	6.1
61.02915	16.8
69.03416	36.3
69.03802	0.9
71.01334	3.1
71.04971	2.4
73.02902	66.0
75.04461	0.5
75.41409	0.5
81.03413	5.9
81.07037	0.7
85.02893	100.0
87.04452	6.1
91.03951	4.8
95.04964	2.9
97.02875	46.1
99.04442	4.7
101.02406	0.6
103.03929	0.5
103.07531	0.6
109.02874	8.6
115.03144	1.1
115.03915	22.8
127.03902	24.5
131.07018	1.3
132.06558	0.9
133.04950	7.7
145.04944	36.7
148.07512	0.6
150.07631	2.4
163.05975	18.8
182.57368	0.5
205.05077	0.7
207.12260	0.7
223.05927	2.4
232.02849	0.5
237.13280	5.5
241.07043	2.2
250.03877	3.0
259.08145	2.7
295.10193	2.4
297.89352	0.6
351.79108	0.6
386.15033	0.7
387.20145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03937	1.4
55.01854	1.4
57.03434	30.6
59.04990	10.4
60.04519	15.8
60.75932	0.9
61.02911	6.0
65.10845	1.0
69.03418	80.7
71.01340	1.0
73.02908	16.2
75.04483	1.7
77.28532	1.0
78.48280	0.9
79.05450	1.0
81.03404	6.7
85.02894	100.0
87.04457	45.9
87.04987	2.3
90.35553	0.9
91.03940	5.3
92.09302	1.2
97.02879	56.7
99.04427	1.7
109.02881	5.8
115.03915	46.4
119.04902	1.3
127.03893	17.5
133.04948	47.9
135.04440	4.5
145.04951	23.9
147.04410	11.3
150.07620	4.1
153.05397	1.0
163.05998	11.9
171.78827	0.9
231.02806	1.2
237.13383	4.2
250.03740	1.5
259.08026	3.6
295.10321	4.3
333.05057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38417	0.5
53.03940	0.9
53.06167	0.4
55.01854	0.4
55.05499	1.0
55.09952	0.4
55.27332	0.4
55.90972	0.4
57.03425	3.0
57.20906	0.4
57.72301	0.5
59.05003	0.5
61.02916	5.2
62.10295	0.5
67.05499	1.3
69.03423	13.6
71.04981	0.9
73.02893	4.0
79.05461	1.0
81.03410	3.8
81.07037	1.3
83.04973	0.6
85.02895	54.9
85.65372	0.5
87.04456	3.1
91.05472	2.4
92.09383	0.7
92.50493	0.6
93.07021	8.8
95.04944	2.0
95.08572	2.4
97.02874	6.7
99.04464	1.3
105.07017	3.6
107.08589	9.3
109.02850	1.2
109.06509	2.8
109.10155	5.0
117.07007	0.8
119.08571	11.8
119.64365	0.6
121.06542	0.8
121.10132	13.3
123.07999	0.8
127.03863	2.2
135.08035	0.8
135.11659	0.6
137.09602	22.3
139.11156	0.7
145.10078	4.4
147.08020	2.0
159.11681	1.2
161.09569	2.5
163.11150	6.0
164.08310	0.7
175.11172	0.9
179.10622	8.3
184.00041	0.5
205.12224	32.0
222.12294	0.6
223.13271	100.0
255.62526	0.7
385.18478	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	385.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30670	5.4
55.01854	25.6
55.05505	100.0
56.96550	16.4
57.03425	32.6
67.05504	71.2
69.07041	29.2
69.70012	5.5
71.08604	14.3
79.05482	62.3
80.62596	5.8
81.03402	40.1
81.07030	64.5
83.04958	35.0
83.08594	41.8
85.02866	9.7
90.07166	9.2
91.05453	38.3
93.07018	52.2
95.04932	46.5
95.08574	37.7
97.02861	10.9
97.06519	13.6
97.10139	35.7
99.08055	8.4
101.69112	7.1
105.07008	16.5
107.04918	9.8
107.08572	40.7
109.10139	16.2
111.04448	16.9
116.30664	6.9
117.05737	6.7
117.06956	9.1
119.08599	13.5
121.10146	26.5
125.09599	27.6
126.75670	6.2
131.08553	32.0
133.10081	9.7
135.08002	10.2
137.02322	14.5
142.80496	6.7
145.10165	9.7
147.11665	11.7
151.11153	6.4
153.01816	12.1
163.03897	8.7
176.58426	6.4
187.78166	6.5
189.11115	13.5
203.05991	6.9
214.52478	7.2
227.12590	8.5
267.09073	28.2
275.19937	30.4
275.58060	7.1
285.09988	29.1
293.21045	56.6
385.25763	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	384.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
53.03943	6.1
55.01865	9.2
56.02556	0.7
57.03440	8.3
57.07061	1.2
57.20958	0.7
61.02919	10.1
68.99780	3.1
69.03417	41.7
71.04994	5.7
73.02898	11.9
77.67105	0.8
81.03399	28.7
85.02892	100.0
87.00813	52.5
87.01345	1.9
87.04465	1.2
91.03934	1.4
97.02872	29.8
99.04432	15.9
101.02402	0.8
105.01849	48.7
109.02865	27.5
117.01844	4.2
119.10703	3.7
127.02961	1.7
127.03899	50.2
129.01817	4.6
132.78745	0.8
145.04945	17.7
147.02890	1.9
153.05453	1.3
155.26781	0.8
159.02859	14.0
189.03923	1.0
190.54863	0.8
213.03941	4.4
231.04895	13.3
249.06032	5.1
249.31734	0.8
249.99193	0.8
257.35495	0.9
277.70776	1.0
393.63120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.2
55.57460	0.2
56.96543	0.5
57.34826	0.2
73.50218	0.2
98.97562	6.0
99.97884	0.2
101.00846	0.5
116.98595	6.5
119.01891	7.9
121.09559	0.3
134.99648	4.2
137.02914	2.8
153.00803	1.2
158.99886	0.3
165.46550	0.2
177.00911	20.3
178.00977	0.4
182.99928	0.3
184.30998	0.2
201.00874	1.7
217.04051	4.4
219.01968	32.4
220.02046	1.7
220.49657	0.3
225.00684	1.6
234.99834	0.9
235.99916	0.3
236.99731	0.2
242.03503	0.3
243.01891	5.5
258.99759	2.7
260.00040	1.5
260.04706	0.3
261.03000	100.0
262.03134	4.2
263.03091	0.5
277.00821	3.9
278.01035	2.5
279.00595	2.6
282.99890	2.9
284.00082	2.5
284.04535	1.9
284.99744	0.4
301.00992	7.4
302.01114	6.1
303.00665	1.7
319.02002	0.3
320.02338	0.4
343.02127	1.2
344.02206	1.7
361.03381	0.3
362.03082	1.1
367.02167	1.1
385.03043	7.5
403.04224	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18417	0.8
52.57167	0.7
55.01849	1.1
56.64148	0.8
61.02905	1.7
65.60912	0.8
69.03410	4.3
73.65189	0.8
75.49250	0.8
81.03371	1.5
85.02889	11.3
92.08646	1.0
97.02866	5.6
109.02871	1.1
117.07023	1.9
118.06515	61.4
120.04350	1.1
127.03935	2.0
130.06508	41.8
131.07280	2.3
132.08051	17.4
142.06496	4.7
143.07297	2.0
144.08058	12.3
146.05981	41.9
156.07991	1.7
160.07550	48.8
160.18945	1.0
170.05968	22.1
188.07045	53.5
206.08095	100.0
207.08377	1.4
249.30086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3307
Annotation	Dendronesterone A
Peak:m/z	Relative Intensity
55.05511	4.3
67.05496	9.8
69.07063	14.5
79.05465	3.5
81.07040	28.8
83.08629	4.0
87.13766	2.7
92.09275	5.2
93.07017	10.5
95.08604	41.3
97.10152	4.8
105.07015	5.6
107.08574	14.3
109.06509	14.7
109.10139	25.6
111.05943	2.6
119.08558	4.1
121.10136	15.9
123.08060	32.8
123.11697	16.7
133.10095	3.5
135.11671	4.9
137.13222	16.0
145.10170	3.4
147.11682	3.8
149.13281	12.8
151.11189	11.2
159.11684	4.8
161.13269	2.8
163.14827	6.0
171.08316	2.7
185.60591	3.2
198.06863	2.6
249.07263	2.6
274.72791	2.9
281.06284	2.7
289.16196	2.7
383.33044	100.0
388.40176	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	384.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	15.2
55.01855	15.4
55.05501	4.3
57.03419	10.4
57.27950	2.0
61.02925	16.8
66.42629	2.4
68.99791	2.5
69.03130	2.6
69.03423	46.5
69.97739	2.3
71.04975	11.3
73.02917	18.7
77.04047	2.2
77.64629	2.2
81.03403	40.3
81.07035	21.6
83.04969	3.8
83.08617	3.7
85.02892	100.0
87.00819	48.9
87.04443	3.1
91.03937	3.2
93.07045	2.8
95.04946	2.5
97.02879	56.8
97.06512	5.1
99.04455	17.5
105.01862	37.7
108.04463	11.5
109.02869	42.1
117.01807	10.0
120.08085	3.6
123.11697	10.5
126.05464	4.6
127.03907	64.2
129.01819	2.8
130.06523	51.7
132.04422	4.7
133.10136	2.7
133.92563	2.4
145.04938	30.8
146.49666	2.3
147.66751	2.4
148.07555	18.7
151.11153	3.8
158.05988	15.1
159.02876	21.2
169.12228	9.5
176.07053	43.8
187.13338	3.7
208.49043	2.2
222.07587	13.8
231.04980	15.5
233.08817	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.73945	1.6
53.03922	2.9
55.01859	2.1
55.05504	21.5
57.07054	10.6
58.57993	1.8
59.04973	2.5
62.31682	1.7
67.05494	41.1
69.03424	16.8
69.07048	10.9
71.04967	4.9
74.89802	2.3
76.55548	1.7
79.05470	35.0
81.07036	43.8
83.04963	10.8
83.08608	9.3
85.06527	4.6
91.05462	65.2
92.08618	3.9
93.07019	96.0
95.04945	35.8
95.08589	35.7
97.06499	14.5
99.23861	1.9
103.05450	2.6
105.07013	100.0
106.07723	2.2
107.05000	2.1
107.08582	42.5
109.06483	28.2
109.10129	28.4
111.08084	3.6
113.67308	2.1
115.05470	3.5
117.06974	16.3
119.08562	62.9
121.06475	19.2
121.10122	41.1
121.43031	2.2
122.07240	2.2
123.08057	27.5
123.11683	2.3
125.06023	2.3
125.09511	1.9
128.06195	13.7
129.06969	20.6
130.07718	3.1
131.08524	32.4
133.06522	7.5
133.10109	25.4
135.08046	16.4
135.11665	3.8
137.05916	2.2
137.09578	11.6
139.11182	2.5
141.06979	5.1
142.07773	30.5
143.08546	40.7
144.09354	9.8
145.06473	4.1
145.10117	44.7
146.07314	3.5
147.08061	21.1
147.11661	17.4
148.08755	3.8
149.09583	18.0
151.07527	26.4
154.80475	1.9
155.08562	14.9
156.09331	11.6
157.10124	38.2
159.08054	7.8
159.11658	16.0
160.08766	2.1
161.09570	18.3
161.13217	3.7
165.09105	24.1
167.08481	5.1
169.10136	12.1
170.10876	8.9
171.11661	13.5
173.09604	11.7
173.13240	9.4
175.11168	11.9
175.14749	3.2
177.09109	5.1
179.08519	8.2
180.09421	3.2
181.10193	2.4
181.12215	3.4
182.10852	3.6
183.11714	5.1
185.09686	3.9
185.13266	16.9
187.11116	4.0
188.35805	2.2
189.12700	8.4
193.10019	3.3
195.11670	8.2
197.13271	3.4
198.10411	2.5
199.11116	2.9
201.12729	4.5
203.14334	14.1
207.11766	2.5
207.13744	8.1
213.12737	3.3
215.14293	3.5
219.13690	2.5
221.13252	4.2
221.15269	33.4
223.14848	2.9
227.14252	8.1
233.13168	2.1
234.16072	3.6
256.18256	2.5
271.17001	3.0
286.19223	3.8
287.20053	4.2
289.49857	2.1
293.89731	2.7
299.19934	2.8
303.19492	3.1
349.99118	2.1
365.24545	13.3
383.25775	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43537	2.7
53.03927	5.6
55.01860	3.5
55.05507	31.2
57.07062	5.4
60.36442	2.6
61.37674	2.7
67.05489	40.2
69.03416	14.7
69.07049	22.0
71.04938	3.9
79.05479	45.1
81.07036	36.1
81.19063	2.8
83.04986	23.4
83.08585	5.4
84.88659	3.2
85.06561	2.9
91.05464	78.8
92.08653	8.0
93.07021	71.9
95.04943	54.7
95.08588	26.4
97.06516	7.2
102.03376	3.0
103.05433	3.9
105.07014	100.0
107.08577	56.4
109.06533	19.4
109.10139	29.8
113.76151	3.7
115.05451	7.7
115.27269	3.0
117.07014	30.0
119.08572	62.2
121.06484	13.8
121.10114	43.3
123.04436	3.7
123.08048	4.9
128.06218	24.6
129.06966	29.7
130.07762	12.1
131.08548	35.0
133.06476	5.8
133.10123	32.6
135.08052	20.9
135.51396	3.3
141.06964	11.9
142.07799	27.8
143.08527	53.6
144.09322	4.6
145.10121	33.7
146.07242	5.3
147.08057	15.4
147.11656	6.0
149.09595	7.9
153.06998	4.7
155.08527	19.8
156.09317	23.4
157.10144	42.2
158.10840	7.0
159.08022	18.9
159.11682	15.5
161.09584	28.6
165.06982	15.2
167.08534	24.9
167.10657	4.7
168.09341	12.4
169.10081	25.5
170.10880	5.6
171.11665	27.4
173.09586	4.1
173.13252	19.3
175.11215	5.6
178.07809	3.8
179.08556	18.1
180.09308	7.2
181.10095	20.1
182.04865	3.3
182.10915	18.0
183.11726	27.0
185.09691	5.0
191.08582	3.7
192.09402	5.0
193.10030	22.2
194.10899	7.6
195.11671	24.0
196.12346	4.4
197.13269	18.8
199.14777	5.5
204.09219	3.7
205.10115	6.3
206.10927	15.0
207.11542	22.1
208.12486	7.5
209.13242	15.2
210.13899	3.6
211.14920	4.1
219.11577	5.9
221.13248	17.2
223.14803	6.1
225.12788	4.9
227.91216	4.0
233.13234	5.5
234.14043	5.3
237.16400	7.0
243.11610	5.2
249.16397	13.4
263.17944	5.0
264.18729	3.9
347.23825	5.8
365.24792	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56277	1.5
53.03934	4.7
55.01874	2.1
55.05502	19.2
57.07063	13.5
58.37512	1.6
59.04996	3.0
65.03913	1.8
66.51363	1.6
67.05495	30.4
69.03416	18.3
69.07054	8.8
71.04963	8.2
76.56738	1.8
79.05476	38.0
81.07036	28.5
83.04957	4.0
85.06532	4.1
90.39550	1.5
91.05463	50.6
93.07025	100.0
95.04955	38.1
95.08579	40.4
97.06506	7.2
103.05473	2.4
105.04491	2.5
105.07014	95.3
106.07864	2.2
107.04955	3.3
107.08584	44.0
109.06507	22.8
109.10154	16.1
111.08047	3.1
115.05428	4.1
116.06174	2.1
117.06969	18.2
118.66232	2.0
119.08570	55.4
120.09363	2.2
121.06498	11.9
121.10116	39.5
123.08038	27.5
128.06197	10.4
129.06985	19.4
130.07755	7.1
131.08540	29.8
133.06461	11.4
133.10103	25.5
135.08029	16.2
135.11641	2.3
137.09589	9.6
141.06961	4.2
142.07773	22.7
143.08536	27.4
144.09305	9.3
145.10071	34.3
146.07257	2.1
147.08032	21.5
147.11731	7.2
148.08838	2.6
149.09612	15.4
151.07516	25.1
155.08537	9.1
156.09317	10.6
157.10109	35.2
158.10860	2.8
159.07997	10.8
159.11626	14.4
161.09604	14.9
161.13239	3.4
161.17471	1.9
163.11148	2.9
165.09122	24.5
167.08583	2.8
169.10081	8.0
170.10857	4.4
171.11694	9.2
173.09608	10.3
173.13197	4.0
175.11145	14.3
175.14745	4.3
177.09106	7.8
179.08517	4.5
181.10117	3.2
183.11673	4.0
185.09561	2.4
185.13245	9.2
187.11115	3.1
189.12750	7.8
193.10191	7.1
195.11684	3.5
197.13289	4.1
199.11095	2.2
201.12813	7.1
203.14279	12.6
207.11873	2.4
207.13788	9.6
209.13393	3.5
215.14331	4.1
217.12242	2.5
221.13303	4.4
221.15323	42.7
227.14211	3.8
281.18765	2.4
303.19644	4.5
347.23798	2.5
365.24759	9.9
383.25653	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.159
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
56.84267	1.7
57.07061	9.3
58.70826	1.6
59.04990	25.2
63.72207	1.7
67.05493	4.8
79.05519	2.5
81.07039	4.6
85.02869	1.9
91.05472	2.0
93.07026	3.9
93.55742	2.3
103.87270	1.9
105.07045	3.5
107.08564	2.5
109.10122	4.4
119.08540	1.9
295.45175	1.9
347.18512	16.6
362.25098	2.0
383.15900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
53.29641	5.2
55.01005	4.5
55.01849	11.3
55.05505	86.5
56.96525	7.3
57.03429	35.7
64.78436	5.0
67.05504	56.7
69.03435	5.7
69.07053	37.5
69.55853	4.6
79.05469	62.7
81.03390	24.1
81.07037	100.0
83.04957	35.0
83.08604	49.6
85.02859	6.2
91.05447	43.6
93.07039	69.0
95.04949	21.9
95.08577	54.2
97.02895	6.2
97.06493	10.6
97.10161	36.8
100.11237	40.9
101.31234	6.3
105.07021	37.3
107.08566	38.1
109.10146	13.7
111.04421	38.5
111.08054	10.1
117.00205	6.6
117.07008	10.6
119.08579	21.3
121.10131	11.5
123.08022	47.6
124.57946	5.6
125.09601	34.3
131.08554	7.2
133.10040	6.9
135.11682	7.7
137.09489	7.6
145.10075	9.4
147.08028	8.0
149.13235	8.2
155.11240	6.9
163.11134	8.9
165.09128	11.3
182.15323	22.0
184.16992	10.1
189.11226	12.9
193.12173	6.7
210.14922	12.5
222.41859	5.7
273.18259	6.9
291.19501	26.8
309.20450	6.3
383.24051	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96813	3.8
53.00285	4.3
53.03925	4.7
55.01858	27.4
55.05274	5.2
55.05512	72.1
57.03423	26.0
57.18036	3.5
57.28577	3.3
60.89506	4.0
62.38919	3.7
64.33544	3.9
67.05505	68.9
69.03432	7.9
69.07071	37.9
70.22573	3.8
71.04955	4.6
79.05477	73.9
81.03391	20.8
81.07047	100.0
83.04984	32.7
83.08597	32.0
85.02900	6.2
91.05475	50.1
93.07042	57.2
95.04944	24.9
95.08598	38.9
97.06513	19.6
97.10148	41.0
105.07025	28.0
107.08575	42.5
109.06474	7.1
109.10156	21.2
111.04436	22.2
111.08076	8.4
117.06985	6.0
119.08544	23.2
121.06399	5.7
121.10110	21.7
123.08067	44.1
125.09609	32.6
129.06969	6.6
130.85071	5.2
131.08543	11.2
135.11668	8.9
138.78250	4.7
145.10107	24.7
147.11731	4.7
149.09560	6.1
153.12752	5.8
157.10095	4.9
159.11691	4.7
162.15726	4.3
163.11205	18.1
170.02727	4.2
171.11751	6.8
181.12248	6.4
189.11179	29.7
191.10765	5.6
215.06941	6.3
227.12746	7.2
234.99007	7.0
273.18423	15.8
291.19519	43.4
302.53256	5.6
365.23169	24.7
383.24252	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.0
55.05497	4.2
57.03431	23.9
59.13725	0.8
61.02925	1.9
61.44433	0.8
64.34423	0.9
67.05505	11.7
69.03421	6.4
69.07050	11.7
71.04977	21.2
72.13667	0.9
72.78262	1.1
73.02906	1.2
79.05482	41.0
81.03407	1.9
81.07038	18.1
83.04970	6.9
83.08606	1.1
85.02897	20.2
85.06535	9.0
85.94164	1.0
87.04460	2.3
91.05463	6.8
93.07026	46.6
94.19839	1.0
95.04958	9.8
95.08588	8.9
97.02875	6.8
97.06518	28.7
99.04443	5.3
99.08078	2.2
99.59562	0.9
105.07024	20.8
106.02918	1.1
107.04959	1.2
107.08582	100.0
108.08972	1.2
109.02898	1.9
109.06503	9.0
109.10144	1.0
111.04441	1.5
111.08103	2.0
112.79887	1.1
113.06010	3.8
115.07568	1.0
117.09081	1.0
119.08573	1.1
121.10133	54.8
123.08044	7.0
123.11639	1.0
125.05994	7.0
125.09612	6.8
127.03909	4.0
127.07532	6.2
131.08545	15.8
131.36108	1.0
133.06487	5.1
134.06847	2.1
139.11148	10.0
142.28801	0.9
145.05048	1.7
147.04288	1.0
149.09598	79.7
163.03777	1.0
167.10652	78.3
185.11700	43.1
203.12764	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01866	5.7
55.05507	6.3
57.03432	38.7
57.07069	2.4
58.34251	1.2
59.04985	3.4
61.02905	2.8
64.46760	1.2
67.05491	8.6
69.03412	13.5
69.07060	12.5
71.04984	20.3
75.66065	1.2
79.05480	28.3
81.03391	9.6
81.07034	29.6
83.04980	16.1
83.08592	1.8
85.02895	30.2
85.06541	17.2
91.05460	7.4
93.07034	34.9
95.04951	37.7
95.08585	11.8
97.02874	9.1
97.06522	15.1
97.10191	2.2
99.04440	2.7
99.08080	20.6
101.06013	6.2
105.01857	1.9
105.07016	17.5
107.04948	1.7
107.08582	80.3
109.02882	7.3
109.06499	11.5
109.10176	2.4
111.04433	3.4
111.08047	5.5
112.99149	1.3
113.05988	2.7
117.09142	2.5
118.43895	1.3
121.06497	5.5
121.10125	70.8
123.08039	8.3
123.11705	10.2
125.05977	14.7
125.09624	8.5
127.03909	7.2
127.07547	1.9
131.08565	8.8
137.02353	2.9
137.09612	2.7
139.07507	2.6
139.11189	23.5
141.09062	2.4
142.00145	1.5
143.07051	8.5
145.04927	2.1
148.59262	1.3
149.05978	7.0
149.09615	69.1
153.12759	2.9
155.10658	1.5
167.07060	2.6
167.10643	100.0
185.08128	8.0
185.11707	83.6
203.09100	2.6
203.12752	25.9
211.09714	2.8
253.67671	1.4
323.14380	1.6
323.60760	1.5
358.92575	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	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
54.97712	1.0
55.01858	7.7
55.05499	8.4
56.96544	5.4
57.03422	5.0
57.11145	1.0
59.04992	1.5
61.02912	5.3
67.05499	6.5
69.01595	1.2
69.03428	8.9
69.07063	23.8
71.04975	7.1
71.60704	1.0
73.02906	2.4
77.15936	1.0
79.05476	20.2
79.12529	1.4
81.03372	2.6
81.07030	11.1
83.04976	19.1
85.02897	33.9
85.06529	1.9
87.04449	2.3
89.03889	2.2
91.05463	2.4
92.08733	2.6
93.07023	21.3
95.04961	1.8
95.08584	12.2
97.02880	6.9
97.06510	8.1
97.10167	2.1
98.97540	2.2
99.04438	17.5
99.08061	2.0
99.69401	1.3
101.02348	9.4
101.06002	8.3
105.07014	10.7
107.08583	72.2
109.02854	2.5
109.06521	2.8
109.10173	1.7
111.04434	60.9
113.05964	4.9
115.03896	1.9
116.98566	2.2
117.03339	2.4
121.10133	33.5
123.08084	2.9
123.11652	2.2
125.05950	6.8
125.09629	6.0
127.03871	5.3
127.07523	1.5
129.05452	5.7
131.08556	6.8
133.10123	2.0
135.04372	8.5
137.09584	1.3
138.80083	1.2
139.11177	42.8
145.02870	2.7
145.04984	1.4
149.09612	42.2
149.13211	1.3
157.12225	9.8
163.03896	17.3
167.10652	47.1
185.11703	100.0
203.12733	6.1
209.97212	1.4
225.49966	1.3
231.01735	1.7
237.00635	2.9
255.01749	6.4
273.02719	5.2
283.11987	1.4
285.02335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.01860	3.7
57.03418	1.6
57.07073	6.2
59.04979	5.9
61.02916	1.0
67.05486	6.0
69.03403	4.7
69.07048	7.1
70.02931	4.1
71.04984	1.4
72.04495	16.3
72.89117	0.8
73.02887	5.5
74.02420	0.8
79.05479	1.0
81.03385	4.2
81.79762	0.7
83.04960	4.2
85.02906	10.5
85.06519	13.0
86.09697	1.8
87.00813	1.1
87.08103	1.8
90.05534	100.0
91.05456	1.1
92.08795	1.0
95.04939	11.2
96.08088	1.4
97.02860	6.8
98.02389	16.4
98.97567	1.1
99.04394	1.7
100.03947	1.9
103.07564	6.1
109.02844	4.2
111.04432	1.9
113.05968	4.5
115.03966	1.2
115.76068	0.9
116.03436	16.1
117.05470	1.1
120.08074	1.5
121.06417	0.9
121.37329	0.8
124.07561	23.8
127.03876	4.8
129.05486	6.9
135.04338	1.1
139.07483	1.1
141.05429	1.0
142.08620	10.0
145.04970	3.2
149.05969	0.9
160.09633	2.1
163.03880	3.2
164.04318	1.0
166.08601	2.0
167.06995	2.0
174.11195	1.2
184.09671	18.4
185.08038	1.8
199.19186	1.0
202.10724	31.6
219.04648	1.4
220.05009	1.5
220.11763	99.1
226.39378	0.9
237.02811	1.0
280.01318	1.0
341.46683	1.0
364.15771	2.1
382.08176	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	382.1705
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
52.94595	0.8
55.01861	1.3
55.05503	1.1
55.17443	0.7
57.03427	1.6
57.07071	6.9
59.04991	4.3
61.02916	1.7
61.62104	0.7
67.05490	5.6
69.03418	5.1
69.07056	5.9
70.02935	4.0
70.53419	0.7
71.04985	1.6
72.04497	15.5
73.02898	4.3
74.02416	1.0
77.05785	0.9
77.51509	0.9
81.03403	2.1
83.04919	1.1
85.02882	12.4
85.06518	10.8
86.09684	1.0
86.30607	0.8
87.08109	1.4
90.05535	94.0
90.09803	0.8
93.07011	1.2
95.04930	7.0
97.02870	5.1
97.06525	0.9
98.02399	15.5
99.04456	1.5
100.03966	1.5
103.07545	7.7
109.02870	1.7
113.05968	3.4
115.03918	1.2
116.03429	14.5
124.07579	19.6
127.03921	1.9
136.27844	0.9
142.08624	10.2
147.04414	1.6
154.36240	1.0
160.09698	1.3
163.03934	1.2
166.08609	1.7
167.10765	1.0
184.09653	20.1
190.84158	0.9
202.10706	28.0
202.12396	1.2
203.09117	1.1
216.78732	0.9
220.11769	100.0
227.63722	0.8
250.73744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03423	1.2
50.53334	1.1
51.36124	1.1
51.48940	1.1
53.03928	8.7
55.01875	13.0
55.05494	8.5
56.96556	1.4
57.03428	20.0
59.04958	2.4
61.02901	8.4
67.05492	3.0
67.11595	1.3
68.99763	1.9
69.03413	41.6
69.07050	8.9
71.04977	16.3
71.33713	1.4
73.02890	10.6
75.04449	1.7
79.05472	18.6
81.03395	33.6
81.07036	29.3
83.08605	2.5
85.02890	100.0
85.06535	1.9
87.00804	48.2
87.24220	1.4
91.03937	2.8
91.05437	3.3
93.07011	12.0
95.04933	2.8
95.08596	5.5
96.20600	1.4
97.02874	43.2
97.06516	7.0
99.04430	15.8
99.08073	30.1
105.01839	37.5
105.06999	3.5
105.60080	1.5
107.08580	39.5
109.02863	33.3
109.06488	8.0
109.10182	1.9
111.04433	3.8
111.08053	2.0
113.05949	1.9
117.01836	2.8
117.09079	3.4
119.08583	1.6
121.06538	1.8
121.10117	16.6
123.08006	2.5
123.11707	6.2
125.05975	2.5
125.09599	1.9
127.03889	55.2
129.01804	2.2
131.08546	3.4
135.11670	2.9
139.11151	9.7
145.04932	20.9
149.09602	24.5
153.09030	2.1
153.12665	13.1
159.02846	15.7
163.03908	1.8
167.10667	27.4
185.11685	23.7
203.12805	5.9
231.04939	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	382.1705
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
55.01861	1.0
55.05502	0.7
55.12943	0.6
55.86966	0.6
57.07068	6.0
59.04996	5.2
61.02910	0.8
67.05493	4.1
69.03414	1.4
69.07063	4.8
70.02946	4.7
72.04502	14.2
73.02897	4.2
74.02431	1.4
79.05425	0.6
81.03415	0.7
83.04974	3.4
85.02890	6.1
85.06525	11.6
86.09694	1.5
87.08070	1.3
90.05539	100.0
93.07050	0.8
95.04955	8.5
96.08089	1.0
97.02872	2.7
98.02390	14.0
99.04451	1.2
100.03951	2.6
103.07556	7.1
109.02851	0.7
111.04425	3.3
112.07613	0.8
113.05999	3.8
116.03442	14.5
117.05515	0.9
124.07581	20.9
127.03866	1.1
129.05460	4.0
130.08565	0.7
131.07014	1.1
142.08606	11.7
160.09666	1.4
166.08624	2.7
174.11252	3.0
184.09662	19.9
185.08075	1.2
202.10718	29.5
219.04826	0.7
220.11774	92.7
222.44371	0.6
382.08145	1.5
383.09009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.6
55.01869	14.2
55.05498	1.1
57.03424	8.4
60.04511	1.2
61.02913	10.8
68.99780	5.4
69.03417	37.1
71.01370	0.8
71.04983	7.4
73.02897	13.6
80.05036	0.9
81.03403	46.4
83.01338	1.3
85.02892	100.0
87.00813	55.9
87.04459	1.6
91.03951	5.0
93.29941	0.8
97.02872	52.8
98.06062	1.4
99.04434	18.5
100.11222	3.0
101.02371	0.9
103.03949	1.1
105.01846	28.9
108.04458	12.0
109.02869	39.1
114.09173	1.4
117.01856	7.2
124.33688	0.8
126.05486	7.3
127.03895	59.9
127.37855	0.9
127.43620	0.8
129.01819	6.9
131.04184	0.8
136.65352	0.8
145.04936	28.4
147.02853	1.0
159.02858	20.7
169.33186	0.8
171.38358	0.7
213.03961	1.0
230.06555	3.1
231.04988	11.7
248.07602	5.2
249.06020	1.5
333.85907	0.8
338.18271	0.7
352.21713	0.8
368.17966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35089	0.5
53.03942	0.8
55.01851	1.3
65.03928	4.2
69.03423	1.0
69.07066	0.7
71.04977	1.0
79.05479	4.0
81.03341	0.7
81.07064	0.8
85.02905	3.4
91.05466	19.4
92.08637	1.5
93.03340	2.2
93.07034	4.8
94.04169	1.7
94.06149	0.8
94.97440	0.7
95.04964	8.5
95.08578	0.9
97.02887	1.1
97.06561	0.9
102.04659	11.1
103.05456	6.3
105.04498	0.8
105.07013	14.7
107.04935	2.8
107.08611	1.7
108.48798	0.9
109.02853	0.7
109.06467	1.4
111.04440	4.4
115.05444	1.6
119.04924	27.5
121.02811	2.9
121.06488	33.9
121.10147	2.7
122.03650	7.7
124.05143	1.0
125.05971	2.9
130.04118	16.6
131.04948	2.9
133.06454	11.2
134.03633	3.9
135.04396	19.2
137.05959	100.0
139.11183	1.0
143.06017	1.4
147.04391	52.0
149.05962	23.3
149.09578	1.7
150.06743	27.0
150.07875	1.4
151.03902	6.7
151.04990	1.0
151.07512	5.0
152.04556	0.7
153.06981	2.6
161.05946	24.5
162.06735	57.7
163.03868	4.0
165.05472	3.0
165.06932	1.4
166.50357	0.7
167.03369	1.3
167.10667	3.7
168.05592	0.9
175.03897	3.1
177.05460	3.1
178.02588	5.0
179.07004	7.1
181.04953	2.4
181.06474	5.5
182.07245	1.4
185.11719	3.7
191.03473	0.9
193.04958	14.0
193.06558	1.3
196.05148	2.6
197.06009	0.7
198.06581	0.8
205.04973	1.4
209.05898	0.8
210.06728	1.0
210.13255	0.7
211.07581	3.7
213.05403	0.9
213.09103	3.2
223.05969	0.8
224.26190	0.7
225.08983	1.1
227.06976	0.9
237.05367	0.8
239.06851	1.4
240.07919	0.9
241.08603	1.3
256.07346	1.1
267.06393	0.8
269.08173	1.0
285.10495	1.0
297.07532	25.0
299.09073	21.1
317.10162	11.2
329.10129	18.2
347.11108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77264	1.2
53.03916	1.5
55.01864	3.4
57.03423	2.1
58.89339	1.4
61.02906	1.5
69.03416	17.9
71.04997	2.4
81.03391	9.3
82.03732	2.4
84.99959	1.5
85.02900	35.0
86.03223	7.5
87.00825	13.6
89.03873	3.3
91.05457	2.0
97.02876	25.6
97.37160	1.5
98.03211	7.3
99.04430	5.8
105.01856	13.2
107.04951	1.9
109.02863	13.2
110.03232	1.7
111.66596	1.4
115.03915	27.6
116.04261	6.7
117.01893	1.5
117.03357	5.7
119.04897	3.6
120.08083	7.5
122.49132	1.8
127.03895	19.6
128.04239	8.1
135.03532	1.7
135.04382	16.1
145.02838	9.1
145.04965	6.2
146.05341	1.6
147.04398	12.2
159.02966	1.8
160.04781	1.5
163.03888	51.0
185.02135	2.0
199.49074	1.5
219.04730	98.1
220.17073	1.6
224.86208	1.4
231.04942	3.1
232.05328	2.8
381.07867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20697	1.5
63.87424	1.4
92.08707	1.7
222.66747	1.5
349.94736	1.5
381.07861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2424
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
50.38008	2.3
51.24121	2.3
55.05507	5.8
59.04971	4.0
60.26798	2.9
60.38272	2.7
60.96709	2.6
63.50604	2.7
67.05487	7.7
69.03401	6.1
69.07049	4.1
79.05464	14.2
81.03381	3.1
81.07020	14.6
83.04967	5.0
84.56936	2.9
89.41076	2.8
91.05466	13.4
93.07005	15.0
95.04938	17.4
95.08578	5.8
105.07011	32.3
107.04962	5.1
107.08575	14.2
109.03094	3.6
109.06470	3.6
116.31944	3.5
119.08546	19.0
123.08072	3.4
131.08562	16.0
133.06508	4.3
133.10117	3.9
135.08023	4.7
143.08542	7.7
145.10149	13.3
147.08070	6.6
149.09650	3.6
151.07527	5.5
157.10106	6.7
159.08014	4.3
159.11699	5.7
161.09584	6.5
171.11664	4.6
173.09610	19.1
183.11702	6.0
189.12805	4.0
195.11620	3.7
207.11845	3.5
207.13779	3.7
250.71342	3.3
381.24167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
53.33906	1.2
55.01861	6.2
55.05494	6.8
57.03427	51.4
58.83266	1.3
59.04982	8.9
61.02909	2.7
67.05486	27.7
69.03416	18.5
69.07042	9.1
71.04965	18.2
71.08620	1.4
73.02869	1.5
79.05473	22.1
81.03394	15.2
81.07043	44.6
83.04967	7.1
85.02892	43.1
85.06530	15.0
88.11243	5.7
91.03905	1.9
91.05484	12.7
93.07034	16.1
95.04952	27.0
95.08590	29.1
97.02873	10.8
97.06498	34.8
99.04433	27.2
99.08084	2.9
101.02361	2.2
101.06001	1.9
105.07007	19.1
105.45480	1.4
107.08572	10.5
109.02870	2.9
109.06504	71.0
109.10133	15.0
111.04422	13.2
111.08038	3.0
113.02336	5.2
113.05982	9.7
119.08565	30.3
121.06457	7.5
121.10151	11.2
123.04417	6.9
123.08049	49.6
123.11674	2.0
125.09627	2.3
127.03889	3.5
127.07510	1.9
127.18576	1.4
137.02322	19.6
137.03333	2.5
137.09596	38.3
137.10582	2.3
137.11653	1.4
137.13231	1.8
138.02669	12.8
139.07507	11.4
141.09073	3.0
145.04932	2.7
147.08009	21.9
155.10631	13.6
163.01440	1.4
163.03923	2.1
165.09076	77.9
165.12694	9.1
172.13318	5.3
177.05264	1.5
183.10130	100.0
183.13660	15.5
199.37648	1.4
201.11169	51.0
201.14777	1.6
218.13821	2.8
255.57115	1.7
266.18332	5.4
335.05417	1.5
380.21326	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35054	1.5
54.36908	1.3
68.51077	1.5
69.03421	12.5
70.03737	1.9
81.03404	3.2
82.03720	2.0
82.30391	1.6
85.02888	22.4
86.03220	4.1
87.00807	7.7
89.03915	2.4
91.05466	7.3
97.02859	13.7
98.97581	2.0
99.04433	6.2
105.01844	3.5
109.02854	8.3
114.40313	1.6
115.03907	14.6
116.04255	3.6
117.03354	3.3
119.04926	14.2
127.03878	8.8
128.04256	2.6
135.04395	17.8
145.02847	11.3
145.04961	3.2
147.04398	31.1
159.02931	2.0
163.03889	42.5
185.02118	2.8
189.54330	1.7
211.92709	1.7
219.04729	79.2
234.99133	2.2
249.06024	2.5
284.91968	1.7
316.75558	1.7
381.07840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.1
55.01867	12.2
55.05486	0.8
57.03429	10.9
60.04515	1.0
61.02911	10.0
68.99770	4.5
69.03416	48.0
69.07040	0.9
71.04969	8.4
73.02902	17.9
81.03400	41.9
85.02891	100.0
87.00813	64.6
87.04449	1.7
91.03935	4.7
92.09290	1.6
97.02870	70.0
99.04437	18.7
101.02380	1.0
103.85021	0.8
105.01850	41.8
107.08581	0.9
108.04452	7.2
109.02142	1.5
109.02867	40.7
109.03612	1.5
117.01806	8.0
123.11652	1.4
126.05489	5.5
127.03897	57.7
129.01813	4.2
145.04945	31.0
147.02856	1.6
147.11592	0.9
159.01601	1.2
159.02869	21.9
170.99535	0.9
171.01108	1.0
189.03952	0.9
213.03909	3.6
230.06670	1.1
231.04974	11.8
248.07611	1.3
249.06013	1.6
262.36176	0.8
323.82407	1.0
355.24597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.3
55.01866	14.7
55.05494	1.9
57.03427	8.7
58.70691	0.7
61.02914	9.5
63.49310	0.7
67.05486	1.3
68.99779	3.4
69.03418	41.5
71.04968	7.5
73.02900	13.7
77.34319	0.9
80.05014	0.9
81.03400	46.7
81.07046	4.4
83.01324	1.4
84.04488	0.9
85.02892	100.0
85.06507	0.7
87.00813	47.3
87.04442	1.2
91.03931	4.3
92.08564	0.8
92.76060	0.7
93.06999	1.7
95.04996	1.0
95.08595	8.4
97.02875	57.6
99.04433	21.1
105.01856	38.2
108.04483	12.3
109.02863	38.6
109.10152	10.9
115.03811	1.1
117.01823	8.8
119.08581	1.7
121.10126	0.9
126.05495	6.9
127.03902	56.8
129.01825	4.3
137.09583	10.0
145.04947	26.9
147.02893	1.6
147.11728	0.9
155.10663	3.9
159.02846	21.7
165.09065	9.0
168.59810	0.8
174.37830	0.9
183.10107	3.5
201.11183	8.4
211.07458	0.9
212.05481	1.1
213.03922	1.5
230.06653	3.0
231.04987	11.4
248.07635	5.2
249.06075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34087	0.5
55.01869	1.1
63.30289	0.7
67.05503	0.9
69.03406	1.0
76.57001	0.5
79.05473	1.4
81.03413	1.0
81.07041	7.5
85.02896	4.5
90.58345	0.6
91.05464	0.8
97.02866	0.7
101.07086	0.6
105.07050	2.0
109.06513	8.1
119.04935	0.8
119.08549	1.2
121.10110	10.2
123.08060	1.1
123.11716	1.1
127.03899	0.9
127.07549	2.3
137.05960	100.0
147.04417	3.5
147.11656	3.9
155.03508	0.6
165.05426	0.7
165.09135	0.5
165.12680	1.1
183.06493	23.3
183.13791	3.9
257.35349	0.6
310.07086	0.7
380.09280	0.6
381.07355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79496	1.6
53.03937	4.0
53.09170	1.4
55.01860	9.4
55.05494	10.5
55.05727	1.5
57.03432	44.9
59.04981	9.5
61.02906	7.0
61.78233	1.6
67.05492	33.8
69.03413	22.8
69.07048	18.4
71.04978	19.6
71.08603	3.7
79.05473	27.3
81.03400	25.2
81.07038	52.9
83.04960	17.3
85.02888	64.0
85.06528	35.2
86.09659	2.8
88.11258	17.8
88.28060	1.7
91.05448	15.4
93.07024	25.3
95.04939	30.4
95.08582	38.6
97.02881	14.6
97.06499	31.0
99.04435	25.9
99.08061	20.3
101.05998	2.7
105.07012	30.0
107.04911	2.6
107.08589	23.6
109.02851	3.9
109.06503	70.6
109.10132	21.5
111.04436	17.0
111.08054	3.8
113.05984	12.9
119.08569	31.5
120.08091	2.3
121.06499	8.8
121.10133	22.9
123.04398	4.5
123.08043	55.2
123.11708	3.6
125.09543	5.6
127.03887	9.0
127.06527	1.7
127.07498	3.8
129.07072	2.1
137.02335	33.1
137.03308	3.5
137.09589	54.6
137.13210	2.9
138.02650	20.8
139.07515	30.8
139.11159	7.9
141.05524	1.9
141.09074	4.0
145.04929	2.3
147.08028	20.8
147.11650	4.3
155.10660	10.3
165.09081	76.6
165.12717	17.2
172.13260	16.4
175.97606	1.7
183.10146	100.0
183.13727	41.1
201.11182	49.7
201.14798	2.9
218.13828	10.0
227.75822	1.9
266.18298	4.3
380.21524	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	380.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60531	0.5
55.05492	0.7
62.94398	0.5
67.05491	0.7
69.03405	1.4
79.05470	0.8
81.06987	0.7
85.02873	1.2
85.06544	1.0
90.59976	0.5
91.05455	0.6
93.93182	0.6
95.08566	1.1
107.08559	0.8
108.38709	0.5
109.06507	0.7
109.10104	0.9
123.08031	0.8
138.09137	0.7
147.07999	0.7
147.11575	0.7
165.06996	3.4
178.07680	1.1
179.08521	8.8
183.08015	14.2
183.13805	0.8
189.06943	4.6
193.06328	1.4
201.11243	1.0
207.08026	69.3
211.07487	7.9
217.06439	8.2
218.07281	0.9
221.05865	4.8
223.07578	5.9
225.09077	2.3
234.06683	1.3
235.07500	100.0
237.09036	0.7
239.06995	20.9
253.08539	69.2
263.06924	3.0
268.51144	0.8
271.13184	0.7
281.08066	9.9
299.09088	30.7
299.12457	1.0
317.10355	0.9
317.13910	1.2
327.08752	1.4
345.09610	13.2
363.14359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
53.03931	5.1
55.01856	3.3
55.05508	24.6
55.97132	2.2
57.03426	5.0
57.07065	20.4
65.03897	2.8
67.05498	85.6
69.07057	24.5
71.08604	5.7
71.50870	2.1
79.05473	73.3
81.07035	70.1
83.04926	3.5
83.08601	14.2
85.06535	15.3
85.10210	3.1
91.05464	100.0
93.07024	82.0
95.04930	8.7
95.08579	53.3
97.06510	10.2
97.10165	4.1
105.07016	99.3
107.08575	36.0
109.06411	2.6
109.10135	18.1
115.05398	3.4
117.06995	37.4
119.08556	80.4
121.10133	54.7
123.11707	4.4
128.06186	4.0
129.06975	28.7
131.08546	56.6
133.10115	64.3
135.08087	10.5
135.11653	17.1
137.13234	3.9
142.07721	4.0
143.08565	33.7
145.10078	27.9
147.11655	27.5
149.09593	8.8
149.13295	3.3
157.10109	21.9
159.11644	15.4
161.09590	5.4
161.13252	16.7
163.14758	3.8
171.11661	35.3
173.13245	13.4
175.11157	9.4
175.14795	21.1
177.16391	4.4
185.13232	29.6
187.14746	4.7
189.12775	10.4
189.16374	20.3
191.17891	3.8
199.14757	10.1
201.16365	5.4
203.14474	2.6
203.17905	25.2
205.15973	2.9
208.41953	2.7
213.16298	8.5
243.21045	5.0
244.68857	2.8
245.22636	13.1
259.17963	2.5
259.20566	10.5
259.24197	14.4
269.22592	53.0
287.23633	94.3
361.27219	4.9
379.28400	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	380.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82925	0.8
52.54453	0.9
53.03715	0.9
53.03932	7.8
55.01868	12.5
57.03435	9.7
60.90977	0.8
61.02918	8.4
66.88697	0.9
68.99779	2.3
69.03414	46.3
71.01353	1.0
71.04958	7.5
73.02898	9.5
81.03403	34.2
85.02889	100.0
87.00812	52.9
87.01236	1.1
87.01353	1.5
87.04421	1.4
89.03883	1.5
91.03937	2.3
91.05466	1.0
97.02870	72.3
99.04436	20.4
105.01850	35.0
109.02862	34.9
115.03905	73.8
116.98601	1.1
117.01856	3.7
119.04903	1.9
120.08084	6.6
127.03891	57.8
129.01802	5.3
135.04359	5.4
136.04677	1.0
137.05968	4.0
145.02837	1.0
145.04951	21.1
147.02884	1.8
147.04393	4.5
149.04936	1.1
153.05449	1.4
159.02858	16.5
163.03920	10.1
171.02863	1.1
201.09351	1.1
213.03879	7.2
215.50584	1.0
219.04727	4.9
231.04990	20.6
242.05186	1.0
249.06096	8.7
345.08182	1.9
381.07928	4.9
388.17685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
54.32454	6.3
54.82047	6.1
55.01842	8.7
55.05497	36.7
57.03438	7.1
57.90995	7.6
67.05495	90.7
69.03413	8.1
69.07043	52.8
72.21133	6.3
77.92896	7.6
79.05478	75.5
81.03396	9.4
81.07042	97.6
82.94706	7.5
83.08614	11.1
87.89880	7.0
91.05455	50.9
93.07027	98.2
95.04946	11.5
95.08598	62.3
97.06482	10.2
105.07024	33.4
107.04942	16.0
107.08585	57.0
109.06478	14.0
117.06982	15.1
119.08546	41.4
121.10109	100.0
123.08067	18.5
131.08553	29.3
133.10130	16.2
147.07994	10.8
149.09598	34.4
167.10660	40.9
177.31485	9.0
235.39346	8.4
271.16913	9.9
289.17972	34.3
307.14688	10.8
325.15543	48.2
330.82739	9.7
343.16879	13.1
387.47119	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	379.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21603	2.2
59.83049	1.9
79.05445	3.7
79.90728	2.2
81.07040	3.1
98.97578	3.4
153.80013	2.2
172.96194	2.2
173.79941	2.7
189.93452	2.4
251.12422	2.6
330.64954	2.5
343.18710	3.0
347.18314	53.3
361.19714	11.4
374.98108	2.5
379.20743	100.0
379.24628	22.6
393.34183	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77925	2.8
56.07661	2.7
69.26875	3.1
116.98657	3.2
124.68601	3.0
265.60507	3.2
292.98407	4.2
379.24496	100.0
381.55908	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01858	0.3
57.03419	1.2
61.02902	1.0
65.03927	0.3
69.03426	2.7
71.08580	0.2
73.02907	0.3
74.09676	0.2
81.03407	3.7
81.07067	0.2
85.02895	10.8
89.82388	0.3
93.03374	0.3
93.07007	0.4
94.04138	0.2
95.04947	0.4
97.02868	3.5
99.04464	0.6
107.08611	0.3
109.02850	2.2
111.04437	1.7
113.05936	0.3
119.04920	1.0
121.06495	1.0
122.03603	1.4
123.08062	0.4
127.03895	1.9
131.04944	0.6
135.04378	0.3
137.02336	26.8
137.05963	100.0
139.07549	0.3
145.04944	1.0
151.07547	1.3
155.03366	2.1
158.58490	0.2
163.03896	1.0
163.07506	1.7
163.11217	0.4
167.07027	2.9
168.81636	0.3
170.07341	0.2
175.07506	0.3
176.89659	0.3
181.08574	9.4
187.07565	0.3
190.51222	0.2
199.09595	0.9
199.13242	0.3
200.93643	0.2
247.09665	0.3
281.06433	1.7
299.07523	2.5
378.08533	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	378.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69940	0.2
53.03936	0.3
55.01865	0.5
57.03423	1.4
61.02910	1.7
69.03421	3.8
71.04951	0.4
73.02898	0.8
79.05484	1.1
81.03395	1.8
82.90312	0.2
85.02888	15.3
91.03932	0.3
91.05466	0.2
93.03377	0.3
97.02872	4.3
99.04406	0.3
103.05425	0.3
105.91263	0.2
107.04941	3.7
109.02852	1.1
111.04417	1.8
119.04889	0.8
122.03628	2.1
127.03902	1.5
131.04903	1.0
135.03362	0.3
135.04398	8.2
137.05956	100.0
138.06299	0.2
139.03877	4.5
145.02840	0.2
145.04935	1.9
151.07458	0.7
153.05449	15.7
161.05797	0.2
163.03859	2.2
163.07504	1.5
164.04143	0.3
173.34503	0.2
173.56396	0.2
175.07475	1.0
181.04956	3.7
181.08543	7.2
199.06000	4.2
199.07668	0.3
200.70964	0.2
205.08560	0.4
206.89455	0.2
216.08630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	2.0
56.96562	2.3
57.03432	4.8
61.02909	8.3
62.65041	0.8
65.03928	1.1
69.03419	15.1
71.04981	1.4
73.02899	3.9
79.05477	4.8
81.03413	7.9
83.01366	1.2
85.02894	74.0
87.04482	1.9
88.11254	1.0
89.03893	7.2
91.03944	1.0
91.05480	7.5
92.08668	1.4
94.40283	0.9
97.02882	20.5
98.97581	4.8
99.04482	1.4
107.04941	18.0
109.02863	7.6
110.37881	0.9
111.04429	6.9
117.03378	8.5
119.04929	28.0
120.08067	1.2
121.00749	0.9
122.03604	1.6
127.03901	11.2
135.03357	1.8
135.04401	47.6
136.04788	1.1
137.05959	92.6
139.03896	24.2
143.69077	1.0
145.02864	7.3
145.04938	11.8
146.03207	1.3
147.04395	100.0
153.05450	68.3
155.04985	1.0
158.99594	2.1
163.03877	33.0
163.07556	1.7
164.04196	4.4
165.04414	1.6
175.07635	1.2
177.00755	3.6
180.08682	2.1
181.04938	17.3
181.08623	6.4
199.05992	23.8
216.08592	2.2
237.00685	1.4
255.01704	1.4
273.02737	1.7
286.53995	1.0
378.14032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53871	5.0
51.75206	4.1
52.77547	3.5
52.84945	4.4
54.84246	4.0
55.01864	6.5
55.05501	19.3
57.07063	8.5
66.64977	4.6
67.05488	57.3
69.07050	9.2
70.10978	4.6
72.01564	4.0
77.30036	4.7
79.05466	51.5
81.07033	39.9
83.04950	4.3
91.05462	88.0
93.07034	44.3
95.08591	24.1
103.05430	5.8
105.07006	51.2
107.08573	12.5
109.10161	6.8
117.06991	60.1
119.08567	26.6
121.10108	10.8
128.06204	11.4
129.06979	74.0
131.08542	100.0
133.10127	12.3
133.49626	4.8
135.08090	7.6
135.11662	5.1
141.06966	51.7
143.08533	34.2
145.10085	66.4
155.08536	32.0
157.10159	23.6
159.11649	31.3
169.10085	41.9
171.11705	22.7
173.13254	8.7
183.11661	22.6
187.11150	9.5
187.14784	8.3
189.16321	7.3
197.13225	10.8
199.15004	6.5
201.12721	9.4
201.16383	20.5
211.14886	7.5
213.16333	6.8
241.19324	6.1
243.21080	21.0
257.18936	5.5
257.22540	6.8
267.21106	48.6
285.22095	91.8
377.26718	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	378.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.03404	0.6
61.02908	0.5
65.03916	1.5
69.03419	3.4
73.02901	0.4
73.83741	0.3
74.78640	0.3
81.03387	1.7
85.02889	5.1
89.03880	0.8
91.05457	8.0
93.03372	2.4
97.02868	3.7
107.04922	0.8
109.02866	0.7
109.31565	0.4
111.04425	17.2
116.64265	0.4
117.03355	2.0
119.04916	27.2
123.04432	0.6
127.03890	1.6
135.04384	7.2
137.05940	7.3
139.03880	52.3
145.02841	4.7
145.04927	0.6
147.04388	100.0
147.12770	0.3
148.04747	0.4
153.01892	0.4
153.05478	1.8
163.03867	37.8
181.04924	21.1
181.08595	0.5
245.53506	0.4
250.35754	0.4
301.09085	0.7
303.97650	0.4
305.25360	0.5
306.06448	0.4
325.09161	8.2
343.10144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
50.99360	7.0
55.05511	10.4
55.82271	9.6
57.03403	12.2
57.07056	11.4
66.18594	7.5
67.05492	51.0
71.02792	8.3
71.89396	8.1
74.73729	9.7
75.64481	8.8
79.05449	32.7
81.07034	45.6
87.04437	10.4
89.84772	8.0
91.05476	85.1
93.07030	37.3
95.04978	12.8
95.08582	19.6
99.88733	8.6
105.07020	50.4
107.08553	16.8
117.06995	61.2
119.08547	16.9
121.10133	14.5
129.06963	50.2
131.08533	100.0
133.10112	38.2
141.06955	54.7
143.08536	46.6
145.10129	86.8
149.09544	11.3
155.08504	43.5
157.10063	14.8
159.11707	19.8
169.10069	48.7
171.11586	9.3
173.13208	20.5
183.11671	20.3
187.11090	15.1
197.13220	13.8
201.12775	13.1
201.16403	13.8
211.14856	10.1
225.16234	8.6
243.21072	13.5
267.21021	51.3
285.21970	83.6
377.26810	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2683
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.58490	1.3
55.01869	13.2
55.02090	1.6
55.05505	22.1
57.03427	17.4
57.07056	11.4
58.18013	1.7
65.03916	2.7
67.05496	59.5
69.07059	17.7
71.04960	8.7
71.08625	2.1
73.02885	4.0
79.05472	43.7
81.07040	48.5
83.04953	2.9
83.08595	7.1
85.06525	2.0
91.05460	100.0
93.06509	2.1
93.07039	51.6
95.04945	7.3
95.08585	27.0
105.06361	2.9
105.07021	63.8
107.08556	16.8
109.06494	2.5
109.10137	7.8
115.05426	6.8
116.06214	1.9
117.06996	70.2
119.08569	30.6
121.10145	14.0
128.06207	10.0
129.05507	12.9
129.06975	57.8
131.07639	3.3
131.08548	77.0
133.10114	19.3
135.08017	3.0
135.11720	2.6
137.13216	3.3
141.06976	42.4
142.07765	2.3
143.08537	31.0
144.85237	1.9
145.06555	2.2
145.10097	51.3
147.08031	3.4
147.11664	4.3
149.09598	4.3
149.13240	2.3
154.07732	2.4
155.07390	2.6
155.08548	28.0
157.10109	24.9
159.07985	2.1
159.11649	22.4
161.09589	12.3
161.13210	7.5
163.11273	2.2
169.10117	42.2
171.11665	15.8
173.09567	3.5
173.13232	10.7
175.14723	7.4
183.11644	19.7
185.13225	10.0
187.11128	10.1
187.14726	12.4
189.16338	3.0
197.13228	15.1
199.14771	3.0
201.12750	7.6
201.16385	10.6
211.14775	8.6
213.16345	3.6
215.14268	2.6
225.16243	6.5
239.18159	1.7
241.19440	9.6
243.17473	1.7
243.21080	18.5
257.18808	4.0
257.22607	8.6
267.21042	28.8
285.22049	45.0
303.23257	3.0
356.99179	1.8
359.25818	4.2
377.26794	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
55.05510	22.0
55.95815	2.4
57.03415	13.1
59.37806	2.2
62.21065	2.0
67.05495	86.7
68.79782	2.2
69.07057	20.1
79.05045	4.8
79.05472	80.0
81.06599	3.8
81.07043	77.4
82.31699	2.8
83.08588	4.5
85.06531	6.1
91.05464	100.0
92.09274	4.4
93.07033	73.5
95.04923	6.2
95.08582	66.5
105.07021	75.6
107.08570	41.5
109.06464	3.4
109.10156	20.4
109.19872	2.7
115.05454	3.2
117.06997	56.7
119.08557	75.7
119.98770	2.3
121.10116	35.0
122.57126	2.8
123.08114	3.3
123.11670	10.4
128.06172	6.2
129.05504	3.1
129.06999	33.6
131.07635	4.8
131.08548	87.6
133.10110	42.4
135.08012	5.7
135.11697	21.7
137.13139	3.3
141.06969	19.5
143.08543	23.4
145.10112	59.6
147.11661	29.6
149.09619	14.9
149.13255	12.6
152.19490	2.4
155.08501	16.3
157.10095	27.5
159.11664	42.4
161.13242	18.3
163.11137	4.7
163.14793	3.5
169.10052	22.7
171.11702	24.3
173.13213	34.7
175.11182	5.0
175.14793	15.8
183.11696	21.7
185.13211	20.3
187.11246	3.0
187.14799	32.6
189.12683	4.0
189.16338	3.4
190.78549	3.2
197.13232	16.5
199.14783	11.9
201.12679	3.7
201.16406	31.0
211.14807	19.4
215.14288	4.7
225.16374	11.3
239.17952	3.1
243.20985	10.6
257.18912	12.0
257.22699	4.1
267.21011	51.4
285.22089	57.4
285.37378	4.1
359.26056	3.4
377.26791	84.7
394.98267	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	377.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84126	0.2
53.03928	0.6
55.05496	1.4
57.03423	0.4
59.04994	2.6
67.05507	0.4
69.03406	0.4
69.07047	1.2
73.06537	0.5
79.05466	0.4
80.05007	32.4
82.06557	0.3
82.26397	0.2
85.02877	0.6
91.05457	0.3
93.05769	0.3
93.06989	0.4
94.06535	0.4
98.75078	0.3
105.07030	0.3
106.19437	0.3
107.08578	0.6
109.02862	0.3
109.05283	0.6
110.06054	0.7
124.11243	1.1
134.09726	0.3
137.05959	0.7
137.08260	0.5
138.05508	5.7
152.10698	17.1
176.84315	0.3
180.10182	100.0
181.10541	0.4
198.29907	0.3
217.16887	0.3
226.01480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06997	1.2
84.68169	1.3
92.63806	1.3
103.60795	1.3
111.49382	1.2
126.50119	1.5
126.52435	1.7
128.60291	1.4
219.17412	1.5
237.64467	1.4
240.35043	1.3
245.85133	1.3
252.65970	1.6
314.33170	1.9
315.33508	1.7
345.20160	12.2
376.37018	2.0
377.22891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
53.11019	2.0
55.01858	10.0
55.05509	29.5
57.03416	14.3
57.07052	4.7
65.03921	2.5
67.05143	3.2
67.05489	74.9
69.07054	19.2
71.04962	3.8
79.05475	62.7
81.07036	66.7
83.04958	3.1
83.08605	4.0
85.06501	4.5
91.05458	100.0
93.07023	67.1
95.04946	4.1
95.08581	48.8
97.06480	3.2
97.10162	3.4
99.08044	2.2
103.05437	2.3
105.07008	60.3
107.08574	30.3
109.06480	2.6
109.10129	13.5
115.05415	2.7
117.07002	54.3
119.08564	66.5
121.10127	28.9
123.08035	3.3
123.11671	4.6
128.06165	4.1
129.05429	3.7
129.06972	31.7
130.07776	3.6
131.08531	73.3
133.10109	38.1
135.08008	4.4
135.11659	19.3
141.06926	17.8
142.07700	3.5
143.08540	22.5
145.10089	57.6
147.08038	4.2
147.11656	16.7
149.09593	8.8
149.13261	4.6
155.08530	19.1
157.10107	20.1
159.08035	3.5
159.11676	27.8
161.09590	3.1
161.13217	17.9
163.11130	2.6
163.14803	2.8
169.10112	16.1
171.11662	14.6
173.13190	23.5
175.14799	12.0
183.11632	19.8
185.13223	11.6
187.14838	15.5
189.16383	5.3
197.13232	13.6
199.14838	4.8
201.12758	5.2
201.16359	22.7
211.14813	10.9
213.16212	3.3
225.16394	3.7
241.19337	3.1
243.21062	11.4
257.22470	4.6
264.37280	2.5
267.21014	40.0
285.22104	42.3
303.23169	3.7
359.25705	5.6
377.26819	61.2
395.13565	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.00292	0.7
53.03942	5.1
55.01860	1.0
57.03177	0.8
57.03431	16.2
59.04987	1.2
61.02921	6.5
69.03416	23.5
71.01316	3.5
71.04975	5.5
73.02905	4.0
73.03239	0.5
75.04453	4.1
76.25532	0.5
81.03394	6.6
85.02888	2.7
91.05464	0.9
91.86830	0.5
95.12657	0.5
99.04426	8.1
104.84424	0.5
105.13498	0.5
108.56706	0.5
117.05495	1.1
118.06529	0.5
133.10178	0.9
137.05974	5.4
138.06303	1.2
145.07532	4.3
157.07655	0.9
157.41182	0.6
159.09198	0.9
161.09586	0.6
170.07108	3.2
172.08661	64.6
174.10214	2.2
179.10657	0.8
190.09778	2.7
197.09604	0.6
197.11674	1.3
198.06584	13.2
198.10265	0.7
198.12076	0.6
200.08188	8.0
214.09715	1.0
214.14212	0.6
216.07648	37.4
218.09229	1.4
243.08725	100.0
244.07045	1.2
357.26691	0.7
359.13406	3.2
377.14481	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10505	0.8
54.81808	1.0
56.96550	1.3
68.94640	1.0
68.99780	6.9
79.05472	1.5
81.07016	2.4
92.08658	3.1
95.08610	1.1
105.03400	1.4
107.04952	2.3
107.08569	1.4
133.02872	2.4
140.07022	1.2
145.02805	1.6
159.00751	1.5
161.02319	5.8
171.76926	1.1
187.00229	9.4
189.01787	4.5
201.01794	8.4
205.01283	4.7
208.76735	1.1
215.42197	1.0
229.01279	60.5
247.02287	23.5
257.00751	100.0
258.00839	1.9
275.01807	88.3
283.02347	2.1
377.06461	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	377.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	23.7
54.32041	1.6
54.81231	1.9
55.01868	25.4
55.05501	3.4
55.10552	1.6
56.96557	1.5
57.03424	11.5
59.04985	9.0
61.02908	10.5
64.74982	1.5
65.82887	1.6
67.01123	1.4
67.01840	1.9
68.99772	11.2
69.03418	46.1
70.57143	1.9
70.82722	1.6
71.01287	1.6
71.04980	32.7
73.02898	7.0
75.04477	12.3
81.03403	83.6
83.01346	5.9
83.04979	24.7
85.02895	84.6
85.06529	9.0
87.00817	31.2
87.04453	31.3
91.03960	1.8
95.04952	8.4
97.02869	39.6
98.03633	3.6
98.97542	4.1
99.04434	100.0
101.02331	1.7
105.01823	3.1
109.02872	51.6
111.04426	22.0
113.06002	32.5
115.03908	16.1
116.98576	2.5
117.01839	3.8
119.04948	1.8
120.24403	1.6
121.02931	1.7
127.03908	49.7
129.01837	3.1
129.05515	2.9
137.06006	2.9
141.05447	55.7
147.02829	1.9
159.02850	12.6
159.06502	27.4
161.04520	2.1
163.03792	2.1
189.03978	3.9
221.30811	2.2
227.05542	3.1
231.04982	4.0
245.06529	13.8
263.07791	2.0
377.08536	7.0
377.14023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01867	0.7
60.63215	0.6
64.33622	0.6
65.03922	6.0
67.05490	1.5
67.65878	0.6
68.18600	0.6
69.03399	0.8
79.05483	2.8
81.03407	1.5
81.07030	0.9
82.04176	1.2
83.04958	0.8
84.12415	0.6
91.05464	2.9
92.02606	1.0
93.03385	4.7
94.04163	3.8
95.04945	8.9
97.06522	0.9
105.03405	5.5
105.04482	0.7
107.04931	2.5
108.02082	1.5
109.02857	3.5
109.06487	2.8
110.03651	5.1
111.04425	4.6
118.04173	1.1
121.02844	3.3
121.06480	1.4
122.03627	9.0
122.64262	0.7
123.04409	4.1
125.05972	16.5
126.03091	4.5
127.84177	0.9
133.02809	9.9
134.03627	6.9
135.04419	2.7
137.02348	6.8
137.05952	100.0
138.03114	4.2
139.03931	0.9
141.05437	24.7
141.07019	2.2
148.05183	3.4
149.02365	3.5
149.05957	3.9
150.03137	1.1
151.03870	2.8
152.04660	6.1
153.05457	9.9
155.03387	1.7
163.03899	4.5
164.04628	4.4
165.05455	1.5
166.02621	1.6
167.06999	12.2
168.58350	0.7
169.04945	11.7
169.06461	4.2
171.04352	0.8
175.03943	1.0
177.05367	6.3
179.03368	8.5
181.04922	49.4
183.04366	0.9
184.03618	2.7
185.05981	1.5
191.03427	0.7
193.04913	3.4
194.05727	25.1
195.06544	5.6
195.08154	0.7
197.05952	5.3
198.06732	3.0
199.03905	3.6
213.05415	1.5
214.06169	4.7
221.04382	2.6
225.05420	3.8
225.07607	4.6
226.06219	0.9
227.03406	4.0
229.08621	3.2
238.02560	0.7
241.05013	2.6
241.08412	1.0
242.05653	12.2
243.06485	0.9
253.04906	1.6
253.07062	4.8
255.02863	4.4
256.07205	0.9
257.08023	30.8
261.05292	0.7
269.04352	1.5
270.05185	8.2
271.05878	1.6
281.04431	1.0
284.06738	4.5
285.07513	40.1
286.08383	8.1
287.05536	1.4
295.05954	1.0
302.07874	1.3
313.07025	16.0
317.10147	19.7
327.08514	1.1
330.07257	0.9
345.09628	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81374	0.7
55.05497	0.6
57.03431	1.0
59.04981	0.9
61.02917	1.4
67.05486	0.8
69.03410	4.1
79.05463	1.6
81.03403	2.6
81.07038	1.3
81.53106	0.6
85.02892	16.2
91.05481	4.8
92.08694	1.3
93.07024	11.0
95.04963	2.7
95.08560	1.5
97.02868	3.9
105.07028	7.1
107.04891	0.6
107.08582	25.3
109.06499	1.4
109.10141	1.6
119.04940	1.0
119.08553	4.3
121.06526	1.6
121.10122	0.6
123.11646	1.2
127.03900	1.6
131.08583	0.8
133.10107	27.6
135.11664	26.8
137.05984	6.0
137.09615	1.5
151.11179	3.0
161.09573	15.9
178.23070	0.6
179.07098	1.3
179.10646	50.9
184.21982	0.8
197.11710	100.0
243.53741	0.8
320.20142	0.8
351.42926	0.7
359.16837	3.5
371.97525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.1
55.05496	25.8
57.03424	3.5
57.07056	5.5
67.05484	31.7
69.07050	28.9
76.56658	4.2
79.05470	53.2
80.58766	3.6
81.03385	7.1
81.07048	62.9
83.04975	5.4
83.08592	6.9
85.02887	4.8
91.05465	38.5
93.07024	35.1
95.04922	24.8
95.08578	19.7
97.10173	6.2
105.07003	29.6
107.04912	9.3
107.08578	9.8
109.06535	3.9
109.10127	7.8
111.08078	3.7
117.06985	21.9
119.08545	35.4
121.06458	9.1
121.10110	16.5
123.08087	31.7
125.09595	9.2
129.06923	9.4
131.08542	15.8
133.10092	6.3
135.11668	5.1
137.06038	4.2
143.08513	7.5
145.10158	29.8
147.08032	19.0
157.10065	7.2
163.11240	6.0
171.11627	4.6
185.13324	5.1
273.18430	24.4
291.19449	100.0
305.20978	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
55.01862	4.8
55.05507	36.5
56.96555	9.5
57.03420	7.6
64.47057	4.1
66.80724	4.1
67.05495	56.2
67.05788	5.9
69.03400	10.2
69.07060	49.5
72.62285	4.1
79.05482	53.4
81.03408	4.9
81.07045	100.0
81.36786	4.4
83.04964	8.4
91.05459	33.9
93.07019	27.2
95.04939	22.0
95.08616	5.4
105.06976	24.3
107.08586	12.5
109.06558	4.6
109.10092	7.9
111.08010	7.6
119.08522	7.2
121.10126	8.0
123.08065	5.5
137.09624	7.3
139.45782	4.8
143.08481	5.1
151.11101	5.4
160.20323	5.1
201.17894	5.7
274.11285	5.9
343.05273	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	376.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
56.17996	0.2
56.18632	0.2
56.96530	0.2
57.03421	0.3
60.02214	0.2
63.02371	0.3
64.59022	0.2
67.98107	0.2
68.12134	0.2
69.03404	0.8
70.72633	0.2
71.78197	0.2
73.02893	1.4
77.02197	0.2
78.54684	0.2
79.05469	1.6
85.02877	0.5
89.03901	7.2
95.04926	0.2
96.09286	0.2
97.02855	0.4
107.04948	3.9
115.03922	2.5
117.03366	12.6
121.02812	0.7
123.04414	0.4
133.02849	0.3
133.04950	1.3
135.04402	28.3
140.67950	0.3
145.02835	19.5
163.03882	100.0
164.04158	0.3
175.17543	0.2
179.03355	0.4
179.05498	1.4
257.03201	0.3
287.17578	0.2
311.76978	0.3
342.09024	0.2
368.69156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01850	0.4
55.05499	0.5
57.03419	0.9
61.02903	3.5
68.41137	0.5
69.03424	4.1
71.04974	0.6
73.02900	0.9
74.24953	0.5
78.22626	0.5
79.05473	0.8
80.04988	0.6
81.03392	3.2
81.07050	0.6
85.02896	19.8
86.97707	0.5
87.04440	1.0
91.03923	0.8
91.05430	0.6
92.09278	1.0
93.07002	0.6
97.02859	6.9
105.07014	0.8
109.02882	2.0
122.03603	0.6
127.03890	2.4
133.10168	0.7
137.05956	100.0
145.04948	3.1
148.09680	0.5
151.07516	2.2
165.01804	1.0
179.07001	15.3
180.08698	3.7
197.08073	3.2
214.10730	1.0
286.87408	0.7
302.28085	0.5
358.21729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85955	1.6
51.51926	1.7
51.66010	1.7
53.01318	1.9
53.03940	2.0
53.06796	1.6
54.35266	1.6
54.36508	1.7
55.05508	43.6
56.96550	1.9
57.03423	4.8
57.07061	4.7
63.00966	2.1
67.05501	34.8
69.03397	2.0
69.07059	49.2
71.04974	3.3
79.05490	22.4
81.03378	2.7
81.07043	100.0
83.04962	13.2
83.08619	23.2
91.05472	28.5
93.07025	59.0
95.04941	11.0
95.08588	75.5
97.06488	13.6
97.10158	17.8
98.97572	2.3
99.08120	2.6
105.07021	47.4
107.08588	43.9
109.06501	12.4
109.10152	33.9
111.08074	4.8
111.11688	3.6
117.07047	3.6
119.08556	35.9
121.10118	33.5
123.08043	3.2
123.11716	24.8
125.09615	4.5
131.08530	8.5
133.10106	24.1
133.84471	2.2
135.07930	2.7
135.11687	20.5
137.13200	2.3
139.11139	3.7
141.12753	2.5
143.08485	2.5
145.10118	11.4
147.11656	24.7
149.09543	2.8
149.13248	11.3
151.11145	2.4
159.11678	14.3
161.13216	7.8
163.11156	4.6
173.13232	3.6
175.14790	4.8
177.16353	3.9
178.12260	2.5
187.13278	3.2
187.14775	3.5
195.17503	5.0
201.16299	2.7
209.15338	3.7
257.22397	2.5
275.23624	4.1
285.22113	2.5
291.23126	4.0
293.24597	2.5
303.23160	38.6
321.24228	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	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.2
67.05495	29.4
69.07058	12.2
79.05479	42.1
81.07060	57.1
81.29954	5.0
88.07611	9.0
91.05465	53.6
93.07043	77.4
95.04966	46.6
95.08597	39.0
105.07020	100.0
107.08616	41.0
109.06529	9.6
109.10133	10.7
117.07009	22.0
119.08583	92.8
121.06487	23.0
121.10107	48.0
128.06181	9.4
129.06963	11.0
131.08533	46.6
133.10130	26.4
135.11710	6.1
136.94316	5.1
142.07828	19.5
143.08568	35.6
144.09297	9.8
145.10124	40.4
147.11682	9.3
153.62839	4.9
157.10123	33.8
158.79550	5.6
159.11687	13.1
169.10199	6.1
179.08469	10.0
181.10208	6.6
183.11542	6.1
211.14694	5.9
220.12390	6.2
294.85962	5.4
374.36337	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	375.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	8.0
53.03930	3.1
55.01865	15.7
55.05511	17.0
57.03432	20.4
57.07054	3.0
66.46856	2.0
67.05495	42.7
69.07056	10.4
71.04949	1.9
71.08619	100.0
73.02912	2.5
79.05477	46.5
81.03387	7.4
81.07035	19.8
82.49667	1.6
83.04969	15.8
83.08577	2.2
85.06521	2.6
91.05463	68.1
93.07026	27.7
95.04927	13.4
95.08599	15.2
97.06526	14.6
99.08070	45.6
103.05449	2.6
105.07011	27.0
107.04959	2.1
107.08566	10.0
109.06499	3.0
109.10143	2.0
115.05451	8.6
117.07004	41.7
119.08572	31.1
121.06477	3.9
123.08018	6.6
123.53100	1.6
127.11145	2.8
128.06184	11.6
129.05457	6.1
129.06982	23.6
131.08549	15.3
133.10153	3.8
135.07986	3.7
137.09610	2.3
141.06949	13.1
142.07791	2.3
143.08549	18.7
143.76724	1.7
145.06459	2.2
145.10106	8.5
147.08020	3.5
151.11150	34.2
153.12794	2.6
154.07738	2.3
155.08585	2.1
157.10086	9.6
159.11678	2.6
161.09602	8.8
167.08528	3.1
169.10130	11.2
177.12619	1.8
181.10127	2.0
185.13275	7.2
187.11143	9.5
199.10930	2.0
203.14337	7.2
205.12187	2.0
205.51324	1.9
217.15846	11.3
235.16890	2.7
301.02350	2.0
375.25256	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	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.01864	1.8
55.05511	10.4
57.03444	1.2
57.07077	3.4
59.15941	0.8
61.02921	1.1
66.55569	0.6
67.05503	5.9
69.03425	4.4
69.07059	19.0
70.96790	0.8
71.04989	1.9
72.34193	0.7
76.00614	0.7
79.05490	5.9
81.07040	20.7
83.08610	11.5
85.02895	12.1
85.06532	4.3
91.05471	3.9
93.07029	17.0
95.08588	39.9
97.02900	1.5
97.10147	6.8
98.85596	0.7
99.04449	0.8
99.08084	11.6
99.78362	0.7
105.07026	5.2
107.08582	46.0
109.02941	1.0
109.10134	12.7
109.28386	0.8
111.08061	9.6
113.09624	2.6
119.08572	1.0
121.10130	80.6
123.08059	1.7
123.11671	1.3
125.09610	8.5
127.03954	1.0
133.10135	1.1
135.11693	16.2
137.05980	1.3
137.13261	7.9
139.11198	1.4
149.13269	3.5
177.16359	100.0
195.17406	14.4
206.56273	0.8
213.18469	16.8
261.53519	0.9
301.47247	0.9
312.08826	0.8
334.77982	0.9
359.70502	0.9
396.40591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
54.81793	0.9
55.01863	2.9
55.05503	9.9
57.03424	0.7
57.07066	3.0
61.02890	0.8
67.05490	5.3
69.03419	5.0
69.07059	19.8
71.04990	2.7
74.93928	0.7
79.05463	5.9
81.03390	1.3
81.07037	18.8
83.08601	10.5
83.77900	0.7
85.02895	8.9
85.06522	4.5
91.05471	2.9
93.07029	18.9
95.08586	36.1
97.02861	1.5
97.10139	6.3
99.08082	14.5
105.07030	3.9
107.08579	40.2
109.02867	1.3
109.06485	0.9
109.10139	12.0
111.08070	9.6
113.09612	2.8
119.08538	1.6
121.10120	69.2
123.08066	0.8
123.11648	1.0
125.09613	8.8
127.03873	1.2
135.11659	12.5
137.05936	1.8
137.13258	7.9
139.11154	0.9
145.04976	0.8
149.13225	6.4
161.05939	0.9
177.16348	100.0
195.17442	13.6
213.18448	21.6
253.08418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
56.96537	1.2
57.03423	1.1
61.02929	1.0
67.05451	1.1
69.03399	5.2
73.02911	1.8
77.09348	1.2
81.03394	4.0
83.04956	2.0
84.87621	1.0
85.02890	7.2
91.05468	7.4
94.04180	2.4
97.02879	4.7
102.76989	1.1
103.05418	1.5
105.03275	1.0
105.07015	2.5
105.80399	1.3
107.04946	2.5
107.08567	2.8
109.06546	1.1
111.04396	1.4
115.03909	1.6
115.05426	1.2
116.98621	1.8
117.03313	1.4
119.04948	5.4
119.08545	4.6
121.06506	1.7
121.10175	1.6
122.03619	9.1
123.04416	6.8
124.04683	1.2
125.02381	1.3
127.03905	32.0
131.04892	2.4
131.08594	1.5
133.02853	2.6
135.04395	4.9
137.05960	100.0
143.04927	1.3
145.02809	1.3
145.06506	1.3
147.04381	5.0
147.08031	4.8
149.05942	2.5
149.60777	1.2
151.07440	1.3
160.05165	1.9
161.05936	32.6
162.06827	1.4
163.03857	4.6
165.06924	1.3
172.05185	4.5
175.07520	10.7
177.05511	2.2
177.09079	2.2
181.06454	1.4
188.04669	1.8
191.07047	2.5
203.07005	21.7
213.11163	9.8
221.05821	1.4
221.08093	6.1
235.07408	1.3
253.08720	1.5
297.11191	1.5
309.11179	1.8
336.89090	1.3
345.13406	1.5
375.16248	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	375.1284
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
50.71888	1.5
54.77596	1.5
55.01876	2.0
56.96566	1.9
57.03439	3.2
61.02909	10.0
65.03915	3.8
69.03402	9.3
79.05483	13.4
80.22300	1.6
81.03353	1.7
85.02895	18.8
91.05452	10.4
93.03429	2.4
93.07011	2.8
94.04202	2.8
97.02869	8.7
99.80910	1.6
103.05415	2.6
107.04929	33.0
108.02023	2.0
110.03638	21.6
111.04407	15.2
119.04927	2.3
121.06499	15.0
122.03628	11.1
123.04413	3.0
125.02367	2.0
125.05969	64.8
127.03896	21.2
131.04875	1.8
133.02849	15.5
135.04410	31.2
137.05971	65.5
141.05388	2.4
145.59183	2.0
146.08972	1.6
147.04390	3.6
148.54309	1.9
149.05963	23.9
150.03116	12.9
150.05557	2.5
151.03886	100.0
151.05019	6.5
153.05429	12.3
161.06004	18.4
163.03845	15.8
165.05452	41.6
167.06998	11.8
175.07538	7.1
177.05441	23.7
178.04967	3.4
195.06502	16.4
196.05960	6.1
203.07053	9.0
213.07556	63.6
221.08070	3.0
227.95909	1.8
231.05403	4.3
258.94043	2.1
265.08624	2.8
297.28494	1.9
375.10339	2.5
375.16013	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
56.96590	0.7
59.82665	0.6
60.44527	0.6
69.69686	0.7
79.05470	1.3
79.80120	0.7
91.05458	6.2
94.04160	3.4
95.04965	1.0
103.05406	0.9
104.43433	0.7
105.07056	1.1
107.04945	1.3
109.06509	0.8
111.04466	1.1
115.05463	2.5
117.06966	0.9
119.04946	4.3
121.06490	3.0
122.03641	10.5
125.05954	1.1
131.04930	2.6
133.02844	1.0
135.04413	3.1
137.05962	100.0
143.04913	0.7
144.05670	1.1
145.06470	1.2
147.04408	4.3
147.08009	1.1
149.06012	2.9
150.06726	1.7
155.04910	0.9
160.05183	3.5
161.05963	37.3
162.06706	0.8
163.03850	2.6
163.07529	1.5
172.05142	4.9
175.07520	11.7
177.05423	2.7
178.07796	0.8
179.08566	1.4
188.04684	1.0
191.07008	4.3
194.07246	1.3
194.88484	0.8
203.07010	20.2
207.07977	1.1
210.06834	1.1
213.07388	0.9
219.08067	1.0
221.06044	2.2
221.08104	7.4
224.08292	0.8
225.09116	1.7
234.06604	0.7
235.07442	0.8
237.09122	1.5
246.72925	0.7
249.09261	0.7
251.07034	1.0
252.07684	0.8
253.08554	2.9
263.85138	0.7
265.08521	3.3
267.10074	2.4
269.08020	1.4
277.08511	3.0
285.11215	0.9
295.09424	1.2
297.11221	2.6
309.11194	1.6
325.10776	0.9
327.12390	1.1
345.13303	1.7
351.06165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
52.58066	1.0
53.03919	1.4
56.04621	1.1
57.03432	1.2
60.88099	1.0
61.02918	8.6
65.03924	6.0
69.03405	2.0
75.33035	1.0
79.05479	11.9
81.59097	1.2
85.02901	10.7
86.09668	1.4
91.05457	8.0
93.03387	1.6
94.04179	1.7
95.04938	2.3
97.02868	2.3
98.38560	1.3
103.05450	2.0
105.03392	1.4
107.04946	23.7
109.06523	1.5
110.03650	12.5
111.04448	12.2
115.05494	1.6
117.03338	2.1
119.04958	2.6
121.06523	10.1
122.03622	14.4
123.04475	2.5
124.05238	1.5
124.55199	1.4
125.05967	50.0
131.04938	3.0
133.02834	9.9
135.04401	19.5
137.05962	100.0
141.05428	1.9
141.54727	1.1
145.02863	1.8
145.06499	2.1
146.91573	1.3
147.04395	6.8
149.05956	21.3
150.03096	9.2
151.03893	73.6
151.04942	4.1
153.05467	8.9
159.71811	1.4
160.05170	1.7
161.05939	31.9
162.06746	2.1
163.03871	11.5
163.07507	1.5
164.04167	1.3
165.05460	26.9
166.08090	1.2
167.07056	10.9
172.05151	4.7
172.06575	1.5
175.07524	10.6
177.05440	20.6
187.07579	1.4
191.06972	2.6
195.06522	14.1
203.07001	18.5
210.06610	1.6
213.07565	46.1
221.06017	2.8
221.08081	8.4
222.06750	1.2
231.05452	2.6
236.08632	1.2
237.09131	2.4
241.36021	1.3
253.08685	2.3
258.57343	1.5
265.08453	2.5
277.08499	1.6
285.10858	1.6
297.11014	1.2
309.10947	1.5
399.54721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	17.1
57.03424	1.5
61.02896	0.8
69.03415	13.9
70.06579	1.2
72.08152	0.9
73.02909	0.7
81.03391	1.6
84.08131	1.2
84.96014	12.0
85.02898	9.0
86.09696	1.6
87.04440	0.9
97.02875	28.2
98.97563	49.4
98.98488	1.5
99.04446	0.9
103.97414	0.7
109.02849	1.0
110.97556	13.9
111.04441	1.2
112.99111	1.2
115.03914	39.9
116.98608	30.4
116.99444	0.9
119.01900	5.8
123.04373	1.1
124.99088	0.7
127.03922	2.7
128.98590	22.0
131.00151	2.5
131.01874	4.0
133.03491	1.1
133.05298	1.0
134.99644	13.5
136.06187	7.2
140.98587	4.3
143.00157	5.5
143.01863	0.9
144.98056	2.5
145.03409	2.7
145.05022	0.9
146.98465	0.7
146.99626	17.1
148.07547	10.1
149.01221	1.6
149.05966	0.8
149.07933	3.1
152.07045	0.7
152.98589	7.3
153.00668	1.1
155.01862	1.5
157.03441	1.4
158.99638	13.5
161.01237	6.3
161.02863	4.6
162.99091	1.4
163.04535	0.9
164.07080	5.3
165.00653	1.6
165.07433	1.4
166.08641	3.2
167.03413	1.5
167.09029	0.8
169.03433	1.1
170.99620	33.3
173.02940	3.7
176.07030	9.1
177.00690	15.4
177.07291	2.2
179.02269	1.4
185.01277	0.7
185.02859	0.8
186.99174	1.2
187.04440	1.1
189.00681	39.2
194.08078	9.1
195.01694	1.2
195.08440	3.1
198.42870	0.8
201.00653	3.1
201.02502	0.7
203.04120	1.1
207.01741	4.9
212.09195	4.0
213.00681	4.4
219.01724	37.1
221.05092	7.8
231.01729	3.4
237.02777	100.0
243.01659	0.7
249.00609	2.1
255.01619	0.9
255.03862	8.2
259.06595	3.3
267.01682	1.3
271.06674	0.9
297.02539	1.3
315.03809	19.1
333.04837	43.4
356.06430	1.0
365.19171	0.7
374.14526	6.4
375.05853	14.4
375.14835	5.1
384.23837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94128	0.4
56.59799	0.5
57.03407	0.4
57.06812	0.7
57.07073	15.1
58.06587	3.6
70.06583	31.1
71.08623	5.2
72.08121	1.0
74.06069	0.7
85.10162	1.0
88.07616	34.8
91.68718	0.5
96.39223	0.6
102.09166	22.5
132.10211	1.0
150.11256	0.7
218.76242	0.6
268.29974	1.1
312.32568	59.6
313.32843	0.7
318.03778	0.6
356.35239	4.9
374.36246	100.0
375.36438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01869	9.8
55.05508	39.1
55.20396	1.5
55.68211	1.7
57.03437	2.0
57.90375	1.6
59.04988	2.8
62.56910	1.4
67.05495	78.4
69.03433	2.1
69.07061	31.3
71.04977	100.0
79.05482	53.8
81.03428	2.9
81.07042	67.2
83.04966	4.1
83.08611	20.7
85.06547	9.2
91.05456	31.1
93.07028	59.2
95.04969	12.4
95.08584	31.7
97.06499	14.5
97.10149	21.9
99.08077	2.1
105.07019	31.1
107.04929	3.0
107.08589	51.2
109.06514	7.2
109.10143	42.9
111.08083	9.3
113.40443	1.8
117.07003	14.9
119.08549	21.1
121.06490	2.3
121.10122	16.0
123.08036	3.3
123.11717	2.0
125.09597	23.8
131.08551	16.5
133.10097	17.6
135.08035	7.3
135.11671	22.6
137.09579	3.2
143.08629	1.9
145.10110	13.9
146.66310	1.6
147.11703	10.2
149.09613	8.3
149.13242	7.7
151.11198	2.1
153.09108	1.9
153.12730	1.9
155.10648	2.7
157.10167	3.0
159.11713	21.6
161.13208	2.3
161.98958	2.0
163.11145	2.7
164.34708	1.6
173.11734	30.3
173.13138	3.1
177.12688	17.4
187.13252	16.7
203.12701	17.3
209.15408	9.7
216.10187	16.1
241.17944	45.5
257.19025	4.5
270.14890	4.0
275.19998	26.8
289.21613	9.8
291.19366	2.4
302.17477	7.3
307.22717	7.9
321.24307	3.0
352.72455	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.5
55.05267	3.6
55.05510	67.5
57.03423	4.1
57.98966	3.2
58.50694	2.9
59.04985	3.8
59.24555	2.6
66.08226	3.6
67.05495	96.9
69.03429	3.2
69.07059	54.1
71.04985	98.1
71.34444	3.0
73.78639	3.7
79.05479	77.2
81.07042	100.0
83.04962	15.4
83.08600	36.9
85.06522	6.7
91.05460	51.7
93.07025	80.3
94.75893	3.3
95.04935	19.4
95.08587	48.1
97.06507	22.1
97.10157	47.3
105.07021	48.3
107.04966	8.9
107.08574	70.5
109.02863	3.7
109.06486	17.1
109.10145	43.2
111.08076	15.6
117.06995	24.4
118.31394	3.2
119.08570	44.4
121.06475	7.4
121.10119	22.9
123.08006	3.7
125.09623	42.2
130.21458	4.4
131.08546	29.2
133.06419	4.6
133.10106	33.4
135.08040	9.0
135.11664	23.4
137.09538	6.8
138.35857	3.6
143.08546	5.6
145.10126	23.0
147.07988	4.5
147.11673	18.3
147.17384	4.0
149.09546	4.4
149.13231	8.4
153.09099	4.1
156.68747	3.4
157.10092	6.6
159.11685	27.7
161.13222	5.2
173.11725	32.3
173.13101	4.0
177.12749	16.7
185.06558	5.7
187.13300	20.9
195.13762	6.4
203.12727	15.0
216.10199	45.4
241.18007	22.1
243.14351	15.8
257.18982	8.4
270.14883	14.6
275.20029	32.2
289.21573	13.5
302.17584	15.6
307.22629	8.2
321.24207	17.5
330.20367	5.4
351.20065	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	374.196
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05463	1.5
105.07020	1.5
108.05297	1.1
110.23836	1.0
113.90395	1.5
117.07014	13.6
117.54179	1.1
119.08533	9.7
131.08490	1.6
143.08553	7.1
145.10095	14.3
155.08540	7.3
169.10143	2.0
173.05952	5.4
173.09569	2.4
181.10112	1.8
188.10735	2.3
197.13214	2.2
216.10168	100.0
225.12715	1.7
244.13235	19.3
253.12164	2.1
270.14856	26.4
298.18021	9.9
302.17465	33.7
330.20593	26.8
374.19470	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	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44349	1.9
56.96561	40.5
57.07051	2.3
67.05476	4.8
69.07063	2.4
71.95266	2.2
73.38853	2.7
79.05495	7.1
81.07034	3.8
84.96004	4.1
89.41243	2.0
91.05471	13.6
93.07002	5.2
94.07396	2.3
95.04941	10.7
95.08566	3.3
97.06523	2.7
105.07035	15.5
107.08574	2.2
109.10098	3.9
109.59246	2.2
110.97578	4.4
115.97840	3.3
116.98521	2.0
119.08534	9.3
121.06467	3.0
121.10138	2.8
128.98593	19.1
129.06967	3.1
131.08533	5.2
141.02251	2.7
143.08472	3.4
145.10141	4.7
146.99657	27.5
147.88690	2.1
155.08453	2.4
157.10114	2.7
161.01262	3.3
165.00717	4.9
167.08638	3.0
175.02785	2.2
189.04352	3.5
206.10741	2.5
216.10158	9.5
259.11935	3.5
262.32187	2.3
263.09558	4.4
303.12546	2.6
315.16248	35.4
331.15353	3.9
333.17316	100.0
351.18295	46.3
361.73691	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	374.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46271	2.9
51.59716	2.7
51.61926	2.4
53.03927	4.7
55.01869	20.7
55.05508	46.7
57.03416	13.6
57.07059	3.2
57.50523	2.6
59.00055	2.8
67.05494	93.9
68.05816	4.1
69.03448	5.7
69.07058	56.1
70.88258	3.0
71.04977	76.8
79.05479	68.2
81.03403	13.7
81.07043	100.0
83.04963	16.7
83.08617	25.9
85.06540	13.0
91.05465	76.1
93.07027	75.3
95.04930	29.1
95.08602	53.8
97.02893	3.8
97.06513	22.7
97.10166	32.2
105.07014	72.5
107.04954	14.2
107.08587	74.9
109.06507	16.8
109.10151	66.6
117.07016	31.3
119.08560	35.8
121.06467	7.5
121.10135	6.9
123.11707	6.0
125.09584	28.1
127.73930	3.4
129.06993	7.3
131.08537	29.8
133.10120	60.1
135.08034	12.7
135.11676	16.3
137.09583	5.6
139.07495	3.8
143.08557	8.2
145.10115	30.3
146.10452	3.7
147.11690	6.6
149.09592	14.1
149.13203	3.8
151.11163	17.1
153.09183	3.9
157.10052	4.2
159.11667	18.9
169.10051	6.4
169.12239	3.9
173.11722	14.1
173.13174	6.0
177.12698	13.9
179.10692	5.0
187.13329	12.2
197.13181	3.6
203.12752	13.0
205.12338	4.8
216.10188	48.8
219.13618	3.4
228.89520	3.7
241.17982	28.0
244.13306	5.1
270.14825	16.7
275.19974	24.6
275.90921	3.6
289.17953	32.2
289.21133	5.5
295.19089	7.0
302.17422	5.6
307.19016	36.2
321.24161	7.4
330.20685	13.2
374.23987	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	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03414	1.7
59.33089	0.3
61.02914	3.7
69.03413	4.4
71.04972	0.6
71.56971	0.4
73.02902	0.6
74.52059	0.4
81.03392	2.6
83.58974	0.4
83.61345	0.4
85.02888	17.8
89.03897	4.9
91.03928	0.5
91.05461	0.6
92.09256	0.7
97.02883	6.2
99.04467	0.6
109.02864	0.8
117.02510	0.9
117.03346	20.9
121.06484	0.5
124.05183	0.5
124.44445	0.5
127.03861	2.4
133.76546	0.4
134.03612	2.3
135.04391	2.7
145.02823	62.8
145.04874	2.5
149.05949	11.2
153.05443	0.8
162.03169	0.6
163.03868	5.1
163.66843	0.4
177.05428	100.0
180.08717	0.4
195.06490	30.4
209.48752	0.4
227.25645	0.5
335.88403	0.4
341.62982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
55.05480	1.4
57.03432	8.5
59.04990	7.1
61.02910	2.4
65.27933	1.1
67.05488	2.3
69.03419	59.8
70.06561	2.2
71.01340	6.3
71.04978	22.3
71.86274	1.0
73.02876	2.3
80.34058	1.0
81.03379	8.5
81.81996	1.1
82.03728	1.3
83.01347	1.4
85.02892	30.6
85.06557	1.5
86.09704	1.3
87.04464	17.5
87.25387	1.0
91.05443	1.1
95.60634	1.2
96.04452	1.3
97.02872	100.0
99.04439	7.5
101.02347	1.5
101.06002	4.8
102.27679	1.4
105.03436	1.7
107.04946	1.8
109.02880	1.6
110.02368	1.2
111.04424	11.8
112.05123	1.8
113.02345	5.3
115.03912	21.1
116.07011	1.1
119.04994	1.1
120.89980	1.3
123.04420	7.0
125.02315	2.2
126.11333	1.3
127.03904	19.4
129.05449	7.7
133.02795	8.9
135.04382	2.0
139.03899	6.3
143.03380	8.5
145.02931	1.3
145.04955	21.6
147.04381	9.4
148.07553	2.6
151.03908	6.3
157.04984	1.4
161.04414	12.3
163.03860	15.3
175.05994	4.6
176.06996	2.0
178.09683	7.0
179.03407	2.8
181.04903	1.3
194.08136	4.9
196.10793	16.3
197.45422	1.2
203.03368	2.0
211.06039	1.4
212.09167	2.1
219.95491	1.3
242.11258	13.2
257.06522	7.1
275.07553	10.9
297.30872	1.4
339.07156	2.7
374.14456	4.9
374.23621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02863	0.6
53.03944	1.3
55.01858	0.9
57.03429	4.4
69.03418	14.7
71.01331	1.6
73.02901	3.0
77.03922	6.4
81.03401	5.1
85.02899	6.2
87.04468	0.9
89.03894	1.7
91.05476	1.0
93.03385	0.8
95.01337	1.7
95.04952	4.1
97.02869	21.8
99.04466	1.4
105.03378	13.3
107.04926	3.1
111.04427	9.2
113.02374	1.2
115.03922	7.5
117.03375	3.3
123.04411	25.8
125.02326	5.0
129.05479	1.3
130.97626	0.9
131.04900	1.1
133.02838	34.2
133.04987	1.4
135.04384	19.5
139.03889	23.7
143.03380	1.0
145.02835	13.6
145.03864	1.0
147.04390	13.0
149.02316	2.9
151.03931	4.2
161.02315	6.1
161.04469	2.5
163.03879	100.0
175.03886	1.5
177.01808	3.6
177.05504	3.0
179.03337	11.9
181.04945	6.5
187.03889	3.2
189.05495	1.0
191.03459	0.8
201.05493	0.8
202.61887	0.7
203.03371	45.0
205.04930	4.3
215.03316	7.9
215.32121	0.8
219.02806	0.9
231.02827	5.9
233.04381	4.5
261.03903	4.8
275.05386	1.1
279.04962	7.3
291.05096	6.5
293.06689	1.8
303.05170	0.8
311.07196	1.0
321.06036	5.2
321.48132	0.8
339.07077	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01854	0.7
57.03425	1.8
61.02905	2.5
62.48420	0.3
69.03416	4.5
73.02888	0.7
80.02454	0.4
81.03398	2.8
85.02421	0.8
85.02897	17.8
88.40856	0.5
89.03880	4.5
91.03941	0.6
91.05459	0.7
91.41780	0.4
92.74424	0.5
97.02890	6.7
109.02872	1.7
109.75024	0.4
110.29862	0.4
117.03373	18.0
118.91062	0.4
127.03887	1.7
130.88777	0.5
134.03600	2.6
135.04362	3.4
137.05936	1.7
145.02841	62.6
145.04912	3.0
149.05966	12.5
153.05489	1.0
162.03065	1.1
163.03886	5.0
177.05447	100.0
178.05743	0.5
180.08553	0.7
195.06502	31.3
217.26515	0.5
222.06126	0.4
254.09119	0.5
288.22696	0.4
304.27545	0.5
330.83350	0.5
356.12143	0.7
374.12936	0.6
374.18881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
54.71873	6.0
55.01855	13.6
55.05490	32.0
57.03410	27.4
63.84569	6.0
67.05487	62.0
69.07053	15.3
77.03923	6.3
79.05478	100.0
81.07040	64.9
83.04961	11.7
91.05450	89.8
93.03993	6.6
93.07030	82.4
95.04923	25.4
95.08588	30.8
97.06538	7.9
98.97552	6.5
105.07002	60.4
107.08577	14.8
109.10126	7.6
109.34894	6.7
117.06950	29.6
117.79964	6.4
119.08570	29.1
121.06438	7.1
121.10092	14.8
124.65704	7.6
129.06972	15.4
131.08524	59.6
133.10068	15.6
141.06937	6.9
143.08562	12.6
145.10114	9.9
147.08064	11.7
147.11484	10.2
149.09573	13.7
150.94505	8.5
153.06979	6.5
155.08563	12.1
157.10117	15.3
159.11613	11.3
161.09709	7.5
164.17941	8.6
169.10062	14.8
169.24944	7.2
171.11679	10.4
173.13277	8.1
187.14836	8.1
208.09311	8.1
215.14244	26.5
251.82832	7.4
269.97531	6.8
297.07361	9.7
299.20001	12.1
343.07990	17.0
373.12704	28.8
373.19641	37.7
373.23621	39.1
374.06110	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	373.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01864	25.4
55.05510	26.2
57.03426	22.1
58.53654	3.1
67.05498	43.8
69.07057	19.0
76.77829	3.1
79.05479	100.0
81.07038	36.3
83.08586	7.0
85.65981	3.7
91.05461	88.0
93.07018	69.0
95.04948	20.0
95.08618	31.9
96.26589	4.7
97.06521	5.6
103.05403	4.9
105.07013	57.7
107.04938	9.0
107.08577	29.7
107.58279	3.7
109.10145	4.5
115.05472	4.2
117.06991	39.0
119.08569	29.7
121.06477	8.8
121.10143	17.6
121.46428	3.5
128.06166	4.8
129.06969	26.5
131.08563	52.8
133.06462	18.8
133.10123	24.7
135.08012	7.5
141.06964	17.0
142.07713	4.9
143.08568	18.2
145.06509	6.1
145.10139	24.6
147.08044	7.1
147.11711	5.8
149.09610	9.2
155.08586	16.8
157.10124	6.8
159.08139	10.2
159.11679	15.4
169.10037	13.7
171.11665	15.1
173.09653	5.7
183.11665	5.9
187.14761	5.4
197.13232	6.7
201.71091	3.6
215.14305	18.2
217.62454	4.2
280.87421	3.8
373.23517	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	374.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01864	11.9
56.96563	1.4
57.03438	13.1
58.86533	1.6
61.02908	4.3
64.07239	1.8
67.05495	2.9
69.03420	26.7
71.01341	4.1
73.02888	12.9
76.52309	1.6
77.03901	9.2
81.03403	7.9
83.04947	2.3
85.02892	29.5
86.09702	9.7
87.04433	7.1
89.03905	8.4
95.04948	4.2
96.05358	1.7
97.02872	29.9
98.97594	2.1
105.03381	24.9
107.04943	2.1
110.51767	2.0
115.03920	23.2
117.03350	19.3
119.96404	1.6
123.04407	100.0
125.02326	18.1
127.03876	3.1
133.02835	70.8
133.03914	2.5
133.04913	22.6
135.04442	13.9
137.05923	2.4
139.03827	3.0
145.02831	62.2
146.03206	3.1
147.04388	4.2
149.05949	12.0
151.03844	3.2
156.69579	2.2
161.02307	10.9
161.04443	8.7
163.03870	44.0
164.04140	17.9
165.04408	3.1
167.06949	2.1
177.05435	82.1
179.03348	20.6
195.06490	25.2
293.06451	8.3
321.06259	3.6
339.06943	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.42081	0.5
55.01866	2.2
55.05510	7.9
57.03422	4.5
57.07061	2.5
59.04997	0.5
61.02910	3.0
65.03898	0.5
67.05502	10.1
69.03417	6.5
69.07059	10.0
70.19303	0.6
71.04977	3.3
73.02919	0.8
75.14111	0.5
79.05481	3.3
81.03404	3.0
81.07040	15.1
83.04964	5.0
83.08595	5.6
85.02895	26.6
85.06529	2.9
87.04453	0.8
89.22125	0.5
91.05468	3.6
93.07022	12.9
95.04955	3.1
95.08588	28.4
97.02871	8.0
97.06496	5.0
97.10155	2.2
99.08083	2.2
103.03920	0.5
104.24182	0.5
105.07041	6.1
107.08575	18.3
109.02873	1.0
109.06510	7.0
109.10144	53.9
111.08076	20.6
115.05431	0.5
119.08563	26.8
119.09391	1.1
121.06512	2.6
121.10133	15.8
122.03630	3.2
122.06858	0.6
123.07159	1.0
123.08053	22.0
123.08920	1.0
123.11684	10.9
125.09607	2.3
127.03918	3.5
127.11111	0.7
131.08569	0.7
133.06519	0.9
133.09279	0.7
133.10109	26.6
135.11670	29.8
135.12671	1.2
137.02336	0.7
137.05962	27.4
137.09599	52.2
137.13222	3.9
138.09363	0.6
138.10349	4.0
139.11145	0.8
145.04965	2.7
145.06534	0.7
145.10179	0.6
147.04463	0.6
147.11652	8.3
148.12024	1.3
149.12262	0.8
149.13254	8.2
151.11183	4.0
151.14812	5.5
161.06006	0.6
165.12726	7.6
165.16376	2.9
173.05948	1.1
173.13263	1.0
175.07451	0.7
175.14796	35.3
177.06981	0.6
191.14311	3.5
192.14688	3.4
193.15912	24.2
201.05511	2.1
205.06491	2.6
207.06499	2.1
211.16908	100.0
221.05894	0.7
222.06790	2.8
233.05984	2.8
234.06732	1.2
237.09131	2.4
245.06151	0.6
250.06314	0.7
262.06348	0.6
263.06906	0.6
265.08621	3.3
278.05646	0.7
279.06610	0.7
292.07404	0.8
293.08121	1.3
307.09622	1.0
325.10690	5.7
326.87292	0.6
343.11523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26748	0.7
56.96571	1.3
67.01961	0.7
67.05502	1.6
79.05480	1.3
81.03387	0.8
81.07053	0.9
85.28993	0.8
91.05470	1.5
93.07029	1.0
95.08620	0.9
105.07008	1.1
117.06936	0.9
119.08591	1.2
137.02066	0.8
144.22493	0.8
163.03842	0.9
174.00258	0.8
194.38885	0.8
203.40515	1.0
206.09148	3.3
223.08357	0.8
373.19788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74937	0.9
53.03925	1.3
54.36720	0.9
54.81283	1.1
55.05504	18.5
57.03415	4.5
57.07076	2.3
59.04993	1.9
61.02923	2.1
67.05494	20.2
69.03427	9.7
69.07060	18.1
70.12208	1.0
71.04971	4.4
71.08644	1.5
72.61819	0.8
79.05464	9.3
81.03397	1.3
81.07047	23.5
83.04976	7.7
83.08618	8.3
85.02422	1.4
85.02898	26.3
85.06524	6.5
85.58228	1.0
85.67532	1.0
91.05454	10.2
92.08732	1.0
93.07026	27.1
93.07558	1.7
95.04944	4.6
95.08587	41.5
97.02853	6.2
97.06522	1.1
97.10166	1.3
99.08077	33.8
102.79165	1.3
105.07025	18.6
107.08583	43.0
109.02848	2.0
109.06507	5.9
109.10149	78.5
111.08073	1.8
113.09645	1.3
117.07029	1.1
119.08564	48.7
121.10123	20.5
123.08061	14.0
123.11683	9.5
127.03897	1.5
131.08537	1.3
133.10114	100.0
135.11681	64.2
137.05901	1.2
137.09599	27.6
145.10074	1.3
147.11702	4.9
149.13240	6.9
151.11189	7.0
151.14803	5.1
153.12738	1.6
165.16437	1.4
175.14807	64.5
175.16339	2.1
177.16339	5.8
193.15862	38.2
211.16911	12.7
271.04196	1.3
285.01477	1.1
291.36682	1.1
299.95792	1.2
373.10983	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	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01858	0.5
55.05503	7.9
55.06183	0.4
57.03418	0.6
57.07069	3.6
59.04984	1.0
61.02911	0.9
67.05137	0.7
67.05491	17.1
69.03413	8.2
69.07056	13.6
69.48318	0.5
71.04972	3.2
71.08628	0.6
73.02884	0.4
79.05460	3.5
81.03411	0.7
81.07041	19.2
83.01265	0.5
83.04974	9.6
83.08607	7.1
85.02892	10.1
85.06540	4.8
91.05467	2.8
91.09936	0.6
91.74284	0.5
93.07027	10.5
95.04944	1.2
95.08584	34.6
97.02868	0.8
97.06522	1.0
97.10143	2.2
99.08066	4.0
105.07031	4.5
107.08578	25.7
109.02862	0.5
109.06514	9.6
109.10143	100.0
111.08064	3.7
113.09664	0.7
119.07705	1.0
119.08562	28.5
121.10123	12.1
123.08046	11.8
123.11674	9.3
125.09607	0.9
127.03848	1.1
133.10115	20.5
135.11670	86.9
136.81099	0.5
137.09592	16.8
137.10571	0.9
139.11163	2.3
145.04994	0.5
147.11664	1.0
147.82011	0.5
149.13237	7.2
151.11168	8.9
151.14796	12.7
153.12729	3.1
165.16397	3.2
175.14787	32.0
193.15852	38.0
201.65141	0.4
203.08685	0.5
211.14865	1.2
211.16893	33.8
212.92487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
57.03424	1.8
59.04994	34.5
60.05315	2.5
64.33903	2.0
69.03415	2.9
72.08157	1.8
79.05475	3.2
80.53726	2.0
85.02912	3.9
91.05454	19.5
92.08608	3.0
94.04151	1.9
95.04959	4.0
98.97585	2.8
103.05458	7.1
105.07029	7.8
107.04982	2.3
108.80704	1.8
109.06499	2.4
115.05440	13.5
117.03384	2.9
117.07017	8.1
117.09106	2.8
119.04910	11.3
119.08574	3.2
121.06519	13.3
122.03652	7.0
125.05912	2.1
130.04088	2.9
131.04941	8.2
133.06467	3.4
134.03596	2.0
135.04387	3.4
137.05965	94.6
137.38774	1.9
143.04916	7.6
145.02931	2.3
145.06526	3.3
146.03598	12.3
147.04416	10.1
147.08052	2.2
149.05995	19.4
151.03943	3.5
151.07536	8.5
153.01855	3.5
153.06970	25.7
154.07707	2.7
160.05191	2.3
161.05954	47.0
162.06752	12.6
163.03845	3.1
163.07533	10.0
165.06935	37.5
169.06479	2.0
173.05988	2.3
173.13234	2.6
173.60927	2.0
175.07527	17.9
177.05429	7.1
177.06929	3.0
178.07787	8.0
179.07033	7.0
179.08565	7.7
181.06448	42.1
182.07310	9.3
189.07027	3.5
190.07814	3.1
191.08508	16.7
193.06485	41.0
193.14410	7.5
194.07271	9.7
195.08063	9.5
197.09674	4.0
198.06741	3.3
201.05476	2.9
203.05247	4.0
205.06502	6.9
206.07230	7.6
207.08125	13.3
208.08789	3.8
209.05975	10.6
210.06711	32.5
211.07686	3.5
213.09085	24.0
217.06419	2.8
218.07216	3.9
219.08040	15.8
220.08951	3.3
221.05988	48.0
221.09514	2.5
222.06703	12.9
223.07567	10.7
224.08377	7.3
225.05585	2.4
225.09074	55.3
226.06161	2.5
227.07050	7.9
233.05901	6.8
234.06693	4.0
235.07462	15.6
236.08344	7.8
237.05467	3.3
237.09172	4.2
238.06221	11.0
239.06984	7.4
239.10712	8.6
240.07796	2.5
241.08571	24.7
247.07544	9.0
249.09077	9.2
250.06097	2.4
251.07014	7.4
251.10603	3.6
252.07724	2.1
253.08549	78.3
254.09285	7.1
255.06512	2.7
255.10062	2.3
262.06265	3.5
263.06955	3.1
265.08627	8.9
265.64297	2.1
266.09451	2.7
267.10178	10.0
269.08041	10.5
270.08859	2.6
273.11145	2.5
277.08597	10.0
279.10150	8.9
281.08102	31.8
283.09671	8.6
285.11209	29.1
293.08090	2.9
294.08951	2.7
295.09583	19.3
297.72336	2.0
299.12741	16.1
301.10733	8.7
307.09537	4.1
309.11240	2.1
309.25296	2.2
310.11932	12.5
311.12723	3.8
313.10648	42.6
323.09113	16.5
325.10675	9.6
329.10242	2.5
331.11636	2.6
341.10196	8.8
343.11771	15.8
355.11716	48.5
373.12967	52.8
373.18289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	3,5,6,7,8-Pentamethoxyflavone
Peak:m/z	Relative Intensity
55.05489	0.7
56.96550	0.9
67.05477	1.4
69.03391	0.8
70.76437	0.8
80.75870	0.7
93.07040	1.1
99.04446	1.1
105.06981	0.9
109.06503	1.0
127.03870	1.0
131.08615	0.8
133.06468	1.5
135.04408	4.3
181.13402	0.8
183.02855	13.2
186.01491	0.8
197.60207	0.8
211.02353	7.9
214.06252	1.5
228.04114	1.8
229.03308	1.9
244.07230	1.0
269.08044	1.8
271.05869	9.0
272.59854	1.0
282.05203	1.8
282.17392	1.1
283.05917	3.5
285.03900	3.3
297.07556	12.6
299.05460	5.0
300.06216	10.2
314.07773	1.1
315.08545	4.4
325.06979	7.9
328.05597	7.8
329.10016	1.1
343.08078	100.0
358.10315	8.7
373.12759	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
58.30817	0.3
65.03920	0.5
79.05474	2.0
81.07041	0.6
84.72514	0.3
91.05474	4.3
91.31036	0.3
93.03290	0.3
93.07051	0.6
94.04173	3.6
95.04959	1.6
98.97530	0.3
103.05441	1.9
105.07021	2.9
107.04959	0.7
109.06489	1.5
111.04415	0.5
115.05446	4.6
117.06987	0.7
119.04927	1.7
121.02833	0.4
121.06493	1.7
122.03625	12.5
123.04400	0.5
123.08003	0.4
130.04091	0.4
131.04916	2.4
132.05667	0.4
133.06435	2.3
135.04401	1.8
137.02394	1.2
137.05959	100.0
143.04912	1.6
144.05670	0.4
145.02899	0.5
145.06479	3.9
146.03670	0.5
147.04407	2.0
147.07979	0.5
149.05974	1.7
150.06755	0.4
151.03922	1.4
151.07587	0.6
153.07037	0.4
158.03610	1.5
159.04416	1.5
160.05161	2.9
161.05966	3.9
163.03885	2.7
165.06972	0.7
166.07796	0.4
167.08493	1.3
167.09880	0.3
170.03629	0.4
171.04317	0.5
173.05966	4.2
175.03857	1.1
175.07474	2.3
176.06250	0.4
177.05435	1.3
177.06999	2.7
178.07741	1.5
179.08505	1.4
181.06413	0.6
184.28610	0.4
186.03128	1.6
187.03961	0.5
188.04648	0.7
189.05438	1.1
189.07028	1.5
191.06989	0.4
191.08510	0.4
193.06506	0.6
194.07201	2.2
195.08057	0.7
201.05385	5.7
203.07057	2.2
204.04089	0.3
204.05733	0.5
205.06456	8.6
206.07220	2.0
207.06438	5.5
207.08090	1.1
213.09091	0.4
217.06483	0.6
219.04588	0.4
219.06451	2.1
219.08238	0.7
221.06067	2.4
222.06776	6.5
223.07544	1.6
231.06436	1.2
232.05199	0.5
233.05916	7.2
233.08034	0.4
234.06705	4.2
235.07487	1.8
236.08209	0.4
237.09048	6.5
239.06981	1.3
240.07784	0.7
247.01234	0.6
247.07457	1.5
249.05397	2.1
249.09206	0.6
250.06201	7.0
251.06935	3.5
261.05417	0.7
262.06198	2.2
263.07065	0.5
264.07822	2.5
265.08545	11.3
266.09372	0.7
267.06473	2.1
268.07303	1.2
269.08179	0.4
276.07706	0.4
277.04770	0.5
277.08551	2.0
278.05649	2.8
279.06549	1.3
279.10068	0.7
282.08813	0.7
283.09583	4.2
290.05338	0.3
292.07245	4.3
293.08060	7.2
294.08798	0.4
295.05878	0.5
295.09262	0.5
297.11145	2.4
305.08035	1.2
307.06244	0.6
307.09546	8.4
309.07654	0.3
309.11163	0.5
310.08344	2.1
311.09219	1.2
324.16724	0.4
325.10645	15.1
337.10638	2.7
343.11725	4.9
355.11618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01864	4.3
63.90379	0.7
65.03922	1.3
67.05506	1.4
68.99769	0.9
77.60542	0.7
79.05497	1.3
81.07044	1.0
85.02875	1.2
86.09687	5.2
86.83959	0.9
89.03887	1.0
91.05451	19.3
93.07040	1.5
94.04159	1.8
95.04973	6.0
95.08579	1.6
99.08076	2.1
102.04675	1.0
103.05453	7.4
105.03377	4.3
105.07008	5.3
107.04950	3.4
107.08597	1.5
109.06491	1.7
115.05450	9.2
117.03323	2.0
117.07009	5.1
119.04913	19.0
119.08571	1.3
121.06493	4.5
122.03629	11.0
123.04416	4.0
124.05195	3.5
130.04124	4.9
131.04907	4.1
133.02792	1.4
133.06491	4.1
133.10114	3.3
135.04413	9.3
135.11694	1.2
137.05957	94.7
143.04881	3.4
145.02806	3.2
145.06451	12.2
146.03679	1.4
147.04404	18.1
147.07991	1.1
148.04802	1.4
149.05943	5.1
150.06786	9.2
151.03882	1.4
151.07600	2.8
153.05396	1.0
155.10670	1.1
158.03603	13.4
159.04396	1.7
160.05164	4.2
161.02307	1.1
161.05975	5.7
162.06758	5.0
163.03841	4.3
165.06967	1.4
173.05956	35.9
175.03862	5.0
175.07487	1.2
177.05447	3.9
177.06989	3.3
178.07742	0.9
179.06982	3.7
179.08441	1.0
181.06500	1.2
186.03078	10.9
189.05397	1.4
189.06935	1.8
191.07036	2.0
193.04910	1.2
193.06602	0.8
193.15851	4.2
194.07263	4.4
195.07928	1.1
201.05440	100.0
203.07071	2.0
204.04193	4.3
205.06473	14.5
206.07202	1.7
207.06462	5.8
207.08144	0.9
213.05318	1.0
218.07358	1.3
219.06450	14.6
219.08023	0.9
221.05983	4.1
222.06792	9.1
231.06360	1.7
233.05940	13.0
234.06734	8.6
235.07500	3.4
237.09056	9.9
239.07036	1.9
243.39452	0.9
247.07542	3.8
248.90086	1.0
249.05397	4.1
250.06223	11.0
251.06984	5.0
259.07285	0.8
261.05490	1.7
262.06146	4.1
264.07892	1.1
265.08557	16.5
266.09427	1.1
267.06638	2.0
277.05136	0.9
277.08536	4.5
278.05637	3.5
279.06595	1.8
279.09967	1.1
282.09048	1.3
283.09674	1.9
290.05582	1.4
292.07214	4.8
293.08038	12.9
294.08759	1.3
295.06125	1.7
295.09546	0.9
297.11206	5.3
305.08032	3.6
307.09583	9.8
310.08322	1.8
322.08340	1.2
324.07971	1.2
325.10663	31.6
337.10666	3.7
343.11716	4.5
355.11612	8.0
373.18268	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	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81987	2.6
55.05494	2.7
57.51667	2.1
57.87281	1.9
59.15602	2.5
69.07054	4.7
76.46851	2.0
76.47314	2.2
78.39767	2.1
79.05458	3.2
81.03416	3.3
81.07037	11.3
83.08569	2.8
91.05450	15.3
93.06991	8.8
94.04155	2.3
95.04929	5.2
95.08585	5.6
97.06522	4.1
103.05466	4.5
105.07002	15.3
107.08581	3.1
109.06471	2.9
109.10121	2.9
111.04427	3.4
115.05424	10.6
119.04908	4.3
119.08539	11.3
121.06467	10.9
121.10108	2.7
122.03649	9.5
130.04074	2.2
133.06442	2.8
133.10094	4.9
137.05951	68.6
138.56110	2.1
143.04926	5.6
145.06448	2.7
146.03601	14.2
147.04419	10.3
147.11638	2.6
149.05916	12.3
150.06694	3.2
153.06966	9.5
161.05931	51.8
162.06755	4.7
165.06969	41.1
166.07748	4.3
167.08427	4.1
173.05960	9.9
175.07529	4.5
177.06981	4.9
178.07715	5.0
179.08499	5.0
181.06459	29.8
182.07275	20.7
189.06921	3.3
190.07698	10.2
191.08496	19.7
193.06442	53.9
193.16077	3.0
194.07281	14.3
195.07936	3.9
197.09586	3.6
201.05414	25.1
202.07698	3.5
205.06477	14.0
205.89949	2.5
206.07321	3.9
207.08032	14.3
209.05865	2.9
210.06665	41.3
211.07631	3.0
213.09145	12.0
217.06477	3.1
218.07178	4.8
219.08098	18.4
220.08710	8.5
221.05920	56.3
221.09442	3.7
222.06718	14.0
223.07573	4.1
224.08278	5.5
225.09065	75.8
233.05937	3.7
234.06580	8.8
235.07472	12.9
237.09041	4.9
238.06264	13.9
239.06934	9.1
239.10823	2.5
241.08527	12.2
247.07455	10.9
249.09113	12.1
250.06317	4.6
250.09827	2.5
251.07085	2.7
251.10361	3.6
252.07774	2.9
253.08534	100.0
254.09401	5.5
255.06470	2.7
261.05441	3.3
262.06238	3.9
263.07047	4.2
264.07629	4.5
265.08527	10.2
267.10037	2.9
269.07928	13.1
270.08923	2.3
277.08444	8.6
279.10077	10.6
281.08057	34.1
284.10452	3.6
285.11148	37.1
293.07990	2.6
295.09488	32.1
297.11041	3.3
299.12674	4.9
307.09677	10.7
310.11835	16.6
311.12686	3.5
313.10718	47.5
323.09036	20.4
325.10635	17.6
343.11716	9.1
355.11652	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	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88914	0.2
51.02350	0.3
53.03940	0.3
53.87181	0.3
55.01857	1.4
55.05497	0.3
63.01497	0.2
63.99886	0.3
65.03932	0.3
66.70993	0.3
67.05485	0.3
68.99759	0.3
72.72147	0.3
79.05465	2.0
81.07023	1.4
85.02846	0.3
91.05466	5.4
93.07014	0.6
94.04166	3.6
95.04954	1.9
95.08581	0.5
98.93443	0.3
99.99062	0.3
103.05434	2.8
105.03381	0.4
105.07009	3.2
107.04931	0.7
109.06493	1.5
111.04405	0.3
115.05446	4.9
117.06989	1.5
119.04929	2.5
119.08530	0.4
121.02866	0.5
121.06480	1.7
121.10143	0.3
122.02799	0.5
122.03633	12.6
123.04423	0.4
129.06949	0.4
131.04929	1.8
131.08530	0.4
133.06450	2.0
133.10005	0.4
135.04385	0.8
137.02383	1.1
137.05960	100.0
143.04907	1.5
145.02888	0.5
145.06471	3.7
145.10089	1.7
146.03607	0.6
147.04395	2.1
147.08083	0.5
149.05960	1.8
150.06754	0.5
151.03918	1.6
151.07512	0.7
153.22433	0.3
154.07874	0.3
157.10037	0.4
158.03616	0.7
159.04373	1.8
160.05156	2.8
161.05942	3.5
162.99242	0.3
163.03864	2.3
165.06908	1.1
167.08533	0.7
171.04387	0.7
173.05960	4.5
175.03922	0.7
175.07474	2.7
176.06184	0.4
177.05504	1.1
177.06987	2.8
178.07719	1.4
179.08568	1.5
181.06532	0.3
186.03090	2.4
187.03806	0.7
188.04762	0.7
188.28740	0.3
189.05534	0.8
189.07034	1.2
191.07005	0.6
191.08585	0.7
193.06422	0.4
194.07213	3.2
195.08066	0.8
201.05417	5.4
203.07021	2.1
204.04118	0.7
204.05832	0.7
205.06476	10.0
206.07214	2.1
207.06503	4.7
207.08107	1.0
211.07646	0.4
213.05486	0.6
213.09018	0.4
217.06499	0.5
219.06508	1.8
219.08307	0.8
221.05984	3.0
221.09608	0.4
222.06714	6.8
223.07552	1.9
225.05292	0.5
229.00053	0.5
231.06532	0.7
233.05928	7.0
233.07957	0.3
234.06686	4.4
235.07440	1.4
237.09114	6.4
239.06972	0.6
240.07765	0.6
245.05975	0.5
247.01141	0.5
247.07555	1.3
249.05490	2.2
249.09135	0.5
250.06200	7.8
251.06989	3.1
253.04852	0.3
254.09459	0.3
261.05539	1.3
262.06219	1.7
263.06931	0.4
264.07748	2.3
265.08566	10.0
266.09235	0.6
267.06451	1.5
268.07324	1.3
273.05530	0.5
277.05057	1.3
277.08554	3.2
278.05624	3.7
279.06509	1.6
279.09991	0.7
281.08008	0.5
282.08810	1.4
283.09586	4.7
290.05722	0.7
292.07227	4.6
293.08072	7.0
294.08752	0.7
295.06152	0.6
295.09613	0.6
297.10968	2.7
305.07932	1.5
307.09634	7.1
309.11188	0.7
310.08368	2.0
311.09091	0.7
322.08221	0.4
323.09128	1.4
325.10666	14.8
325.14572	0.6
337.10556	2.8
343.11642	6.8
355.11777	1.7
379.70825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1101
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.61833	3.2
56.08809	3.5
61.29626	3.2
65.72646	3.6
67.05500	4.6
69.03427	3.6
71.04976	5.9
73.60992	3.4
76.65018	3.7
85.02875	7.3
86.09706	22.8
89.03912	6.0
91.05467	17.7
93.07015	6.3
105.07013	6.9
107.08566	6.0
108.45265	4.2
109.10141	5.3
117.03353	6.9
119.04951	6.9
119.08556	4.3
133.10126	16.8
134.10498	4.1
135.04472	6.4
137.06007	31.9
145.02821	26.0
147.04347	5.6
147.11646	5.3
158.03630	5.9
173.05994	15.3
177.05479	6.9
201.05457	59.6
202.58066	3.7
205.06497	4.5
219.06458	5.7
227.05324	6.1
263.54642	3.7
271.04187	40.3
274.09460	3.9
325.10822	9.0
326.97458	4.1
329.11954	5.9
360.14639	4.2
373.10977	100.0
373.18213	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	373.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
61.02906	0.9
62.55460	0.9
64.33051	0.8
65.57701	0.8
66.22484	0.7
69.03403	1.8
79.05460	1.1
79.32585	0.8
80.05028	0.8
81.03398	0.9
85.02876	12.8
87.04481	1.0
89.03907	13.4
91.05457	1.0
91.08029	1.1
93.12627	0.9
95.04942	1.6
97.02873	1.3
97.87411	1.0
98.97543	1.2
99.07713	1.0
102.10515	0.9
103.03892	1.1
107.04939	5.0
111.04443	1.1
115.05375	1.0
117.03352	21.1
121.02820	2.1
123.04410	4.0
124.03022	1.7
124.03925	39.6
125.02321	1.0
125.04263	18.1
125.07079	1.2
135.04391	29.7
135.05377	1.4
136.04704	2.0
137.02304	1.8
139.03934	7.6
145.02826	35.2
145.03926	1.9
146.03168	1.6
147.00392	1.0
147.04417	1.2
149.02391	1.0
149.05997	4.5
151.03889	8.6
153.01816	4.4
163.03874	100.0
164.04189	13.0
165.01801	7.6
177.01842	10.7
177.05421	18.5
181.04933	1.1
183.02846	6.3
189.05443	2.1
191.03343	9.4
193.04907	9.3
195.02858	27.0
203.03391	1.3
205.04938	17.4
206.05714	1.1
207.02887	1.3
211.09390	4.5
217.04889	7.8
219.02869	19.7
223.06001	7.0
231.02878	8.1
235.05952	16.8
238.87689	0.9
243.02605	1.1
249.03932	4.1
253.07043	5.6
259.05984	1.5
261.03818	5.4
277.07043	6.1
279.05164	1.6
289.06989	5.2
297.06024	1.0
301.06940	2.0
319.08234	2.0
337.09146	4.2
355.10257	1.3
373.10950	4.1
373.14774	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83895	0.9
51.40260	0.8
53.00305	1.6
53.03944	4.8
54.81437	1.0
55.01864	8.4
55.05504	18.6
57.03424	2.9
57.07066	1.8
67.05491	40.5
69.07047	12.5
71.04969	7.4
71.08617	25.0
79.05479	50.6
79.05949	1.6
81.03389	2.7
81.07041	31.2
83.04962	11.0
83.08588	8.2
85.02882	1.5
85.06560	4.1
91.05460	100.0
93.06496	1.6
93.07020	42.4
95.04953	11.9
95.08584	16.1
97.06503	11.2
99.04469	2.3
99.08069	10.9
103.05428	2.1
105.07018	53.7
107.04932	8.6
107.08579	21.4
109.06513	6.1
109.10137	1.5
111.08080	2.5
115.05437	8.3
116.06212	1.4
117.06997	95.5
119.08551	29.4
121.06485	9.9
121.10125	13.5
123.08054	7.8
128.06224	9.4
129.06995	32.5
130.07787	2.0
131.08545	60.4
133.06491	8.0
133.10098	23.6
133.94713	1.6
135.08011	20.5
135.11670	5.3
137.09630	2.1
139.07507	1.6
139.11182	2.1
141.06978	25.1
141.12726	7.4
142.07733	5.5
143.08539	23.5
145.06512	1.8
145.10106	25.8
147.08035	5.1
147.11641	5.1
149.09612	7.0
151.11206	1.8
155.08517	19.0
157.10098	25.2
159.08057	4.7
159.11656	10.7
161.09576	13.8
161.13264	2.0
163.11176	2.1
163.14671	1.2
165.12689	1.3
167.08537	2.8
169.10109	14.3
171.07933	1.2
171.11609	9.7
173.09592	4.8
173.13217	16.7
175.11143	7.3
175.14806	1.4
177.09061	2.2
179.10692	2.1
181.10106	2.7
183.11658	20.1
185.09615	1.7
185.13264	4.9
187.11154	13.1
189.12787	2.1
193.12204	1.2
195.11708	2.0
199.11154	5.0
201.12741	16.8
201.16245	1.5
203.14316	5.5
205.12196	5.7
217.15865	5.1
219.13707	10.5
227.17796	1.1
239.17874	2.4
241.19415	1.5
255.21040	1.9
265.19434	2.1
283.20517	7.6
301.21564	17.9
304.95615	1.4
311.92520	1.2
319.22678	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	371.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
54.93607	3.0
55.05494	26.2
56.69714	2.9
57.07055	4.3
67.05488	29.1
69.03401	4.4
69.07046	17.4
71.04955	6.1
72.16048	3.7
79.05466	24.1
81.07028	33.0
83.04974	4.7
88.80869	3.5
91.05468	44.2
93.07029	100.0
95.04950	15.7
95.08595	49.9
97.06511	17.1
103.05415	4.7
105.04507	3.3
105.07008	85.6
107.08578	40.6
109.10137	21.6
115.05469	5.4
117.06987	19.6
119.08569	89.8
121.06441	4.5
121.10094	39.6
122.00988	3.3
128.06186	5.7
129.06973	8.9
131.08534	34.4
133.10089	48.6
135.08028	3.8
135.11700	5.0
139.07521	48.8
141.06927	3.3
142.07736	17.3
143.08524	31.8
144.09358	6.3
145.10103	47.5
147.08011	8.1
147.11641	5.6
149.09572	5.4
155.08549	8.2
156.09312	6.3
157.10100	41.4
159.11661	28.6
161.09581	5.2
161.13260	4.7
167.08537	4.9
169.10060	17.1
170.10883	4.2
171.11618	6.7
172.12517	4.9
173.13193	14.6
175.14774	6.4
181.10307	4.9
183.11739	5.4
185.13240	12.7
187.14838	17.7
195.11676	6.5
197.13249	16.5
199.64320	3.5
209.13232	13.8
231.13962	4.4
237.16727	3.8
353.24484	4.8
358.77805	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66486	0.3
51.53416	0.4
52.29197	0.3
56.96555	9.1
57.03699	0.3
65.74901	0.3
67.05505	0.4
81.43761	0.4
82.44604	0.4
98.97572	0.8
110.97572	0.9
116.98566	0.9
128.98587	3.6
131.00121	0.4
139.00667	0.6
146.99670	3.5
149.01251	0.6
153.02217	0.6
157.01695	0.5
161.01239	1.0
161.17554	0.4
171.03282	2.4
175.02759	0.4
179.02321	0.4
183.03290	0.6
185.04834	3.7
189.04300	1.9
197.04840	0.6
199.06342	4.8
203.05894	8.1
205.07452	0.5
208.04016	0.4
211.06340	0.8
213.07967	0.6
217.07448	10.9
221.06860	0.9
223.02681	3.3
223.06493	1.2
223.08499	1.6
224.03604	0.6
225.04362	0.6
225.07983	0.5
226.05087	2.3
229.07590	0.5
231.08978	0.6
235.08556	0.6
237.04260	4.6
237.07860	0.6
239.09441	0.6
241.03740	0.7
244.05978	0.5
249.07899	0.7
250.60464	0.4
253.11023	0.8
255.05429	0.8
255.08971	0.7
262.08762	1.3
265.07379	0.5
267.08990	2.5
271.12097	1.7
279.08978	0.8
280.09814	3.2
281.10626	0.7
285.10196	2.2
296.60059	0.4
298.10800	1.9
299.11761	0.6
301.76224	0.4
305.14407	0.6
307.15790	2.4
325.17047	0.7
331.15680	15.2
331.19507	0.6
349.16815	100.0
350.17444	0.5
351.76813	0.4
367.17880	5.1
372.18246	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31772	0.3
54.81932	0.4
54.84594	0.3
55.05503	2.6
57.07056	0.6
61.02926	0.4
65.03917	0.3
67.05488	1.8
69.03419	4.7
69.07043	2.3
79.05477	3.5
81.03386	0.6
81.06595	0.4
81.07044	6.9
83.04983	0.4
83.08588	0.4
85.02892	3.3
91.05463	4.7
93.07028	3.3
95.08583	2.0
97.02911	0.5
97.06480	0.3
105.07003	6.4
107.04929	1.3
107.08583	19.2
109.06506	7.8
109.10143	6.9
115.05454	1.6
117.06985	2.5
119.06059	0.5
119.08553	3.0
121.06452	0.3
121.10123	13.7
122.06474	0.5
122.07274	5.2
123.08023	1.8
131.08562	1.9
133.10114	100.0
135.08041	13.3
135.11656	1.4
137.09599	62.1
143.08542	0.5
145.10132	1.4
147.11684	1.6
149.09633	0.4
149.13255	10.3
149.14464	0.5
151.11201	1.2
156.47916	0.3
158.10847	1.3
159.26843	0.3
163.14798	1.7
173.13240	5.5
187.54636	0.3
190.13130	0.3
191.14291	21.3
209.15341	5.8
265.57422	0.4
322.45575	0.4
331.83295	0.4
371.22214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.00289	0.4
53.03930	1.6
55.01869	5.0
55.05499	1.8
56.96541	0.4
57.03428	3.2
57.07060	1.4
57.50922	0.3
59.04984	0.8
61.02921	3.5
62.31414	0.3
64.54819	0.3
65.03902	0.3
67.05502	2.6
69.03413	9.9
69.07056	24.9
70.43444	0.3
71.04979	2.3
73.02892	0.5
77.14902	0.3
78.72679	0.3
79.05484	2.9
81.03406	3.7
81.07044	3.2
83.01310	0.6
83.04969	3.0
83.08581	0.6
83.39428	0.3
85.02892	15.9
87.04432	1.4
91.05452	7.6
93.07023	25.7
94.04150	0.4
95.04944	2.6
95.08582	4.7
97.02872	6.0
97.06521	3.4
98.97569	4.0
99.04404	0.8
105.04488	0.3
105.07001	5.0
107.08577	19.4
109.02841	1.6
109.06499	2.3
109.10120	3.4
111.08076	1.4
112.99107	0.5
115.05383	0.4
116.06220	0.4
116.98643	2.7
117.07013	2.0
119.08553	6.0
121.06483	23.6
121.10118	14.9
123.08013	3.3
127.03866	1.6
129.06946	0.4
131.00134	0.5
131.08539	8.0
133.06415	0.4
133.10110	10.7
134.99664	0.5
135.08026	11.4
135.11659	5.9
137.05948	1.7
137.09592	1.5
143.08536	1.6
144.09322	0.8
145.04936	0.8
145.10107	4.2
147.11668	48.4
148.08795	0.5
149.09593	8.1
149.13243	11.9
151.11098	0.5
158.10875	2.6
158.99615	0.7
161.09578	8.9
163.11153	0.7
163.14781	2.8
173.01146	0.4
173.13213	11.9
173.35980	0.3
176.11943	2.2
177.00668	1.5
191.02258	0.5
191.14278	100.0
201.05396	0.7
202.98587	0.4
205.06523	0.4
209.15228	0.4
217.64423	0.4
234.06660	0.5
244.99713	0.6
262.06134	0.5
263.00604	0.4
263.06879	0.4
272.04404	0.4
274.93179	0.4
277.08600	0.4
288.65894	0.3
290.30679	0.3
305.08044	1.4
337.10513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
54.82299	0.4
55.01861	0.5
55.05497	0.5
57.03428	1.6
57.07062	0.5
61.02918	0.7
67.05495	2.1
69.03413	4.6
69.07039	0.5
71.04980	5.4
73.02903	0.4
79.05434	0.4
81.03407	2.3
81.07053	3.3
85.02890	8.5
85.06534	0.7
87.04470	0.3
89.06013	2.5
91.05466	0.6
93.07005	2.2
95.04950	100.0
95.08572	1.8
97.02871	2.9
97.06531	0.5
99.04435	14.2
105.07014	1.8
107.08588	2.3
109.02878	0.7
109.06531	1.7
109.10157	1.5
111.08089	0.8
119.04945	0.6
119.08565	0.5
121.10152	1.7
123.08067	0.7
125.09607	0.5
127.03890	0.8
131.08545	1.6
133.08569	0.7
133.10114	6.1
135.08035	0.8
136.06181	0.6
137.09610	0.6
137.13252	0.5
139.03885	0.5
147.04396	0.6
149.09605	0.5
149.13219	0.5
151.11191	0.6
153.09090	16.8
173.13181	3.5
189.50316	0.4
191.14275	4.4
197.58405	0.4
209.15359	16.6
371.16660	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31598	0.3
53.00280	0.5
53.03931	1.8
55.01865	6.1
55.05495	1.8
55.91655	0.4
57.03415	2.8
57.07059	0.6
61.02891	2.7
67.05473	2.0
69.03065	0.6
69.03408	10.7
69.07051	25.8
71.04958	2.8
73.02895	0.7
79.05462	3.7
79.05859	0.4
81.03413	3.9
81.07040	4.2
83.04964	2.9
83.08585	2.0
85.02888	15.1
85.06510	0.5
87.04449	0.4
87.13844	0.4
91.05463	6.4
92.08682	0.6
93.07021	25.8
95.04935	2.5
95.08569	6.6
96.29669	0.4
97.02879	6.4
97.06500	2.8
97.10117	0.4
98.97574	4.3
99.04430	1.7
105.07015	5.5
107.08573	22.0
109.02835	1.0
109.06477	2.3
109.10126	2.8
111.08075	0.6
115.05401	0.5
116.98591	1.9
117.06998	2.1
119.08554	7.0
121.06478	25.9
121.10126	14.7
123.08018	3.9
127.03883	2.5
129.06989	0.9
131.00104	0.7
131.08540	7.5
132.92432	0.4
133.10114	12.7
135.07066	0.7
135.08023	13.9
135.11652	7.8
137.05983	0.9
137.09566	1.9
143.08551	0.6
144.09363	0.6
145.04950	0.8
145.10107	5.2
147.11664	53.4
149.09602	8.1
149.13235	12.2
158.10880	3.2
158.99580	0.8
161.09579	8.9
163.11154	2.1
163.14767	2.6
165.58981	0.5
173.01219	0.5
173.13231	13.3
173.73694	0.4
176.11890	3.1
177.00658	0.8
191.02153	0.5
191.14270	100.0
201.05391	0.7
209.15286	0.7
217.80885	0.4
244.99551	0.9
263.00656	0.4
277.08511	0.4
305.08023	1.6
308.65527	0.5
337.10721	1.0
371.16360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97263	0.3
55.01868	1.7
57.03432	0.5
59.04995	0.6
63.93012	0.3
67.05494	0.5
69.03416	1.7
69.07069	0.6
69.27422	0.4
70.06562	0.6
79.05466	3.0
81.03395	0.4
81.07056	0.6
85.02895	2.8
87.00853	0.5
89.03891	4.5
91.05452	0.5
95.01308	0.9
95.04935	0.6
97.02929	0.5
103.05448	0.5
105.07017	0.6
107.04947	4.5
107.07848	0.4
107.08659	0.4
109.10152	0.8
111.04462	0.8
117.03355	6.7
121.02861	0.8
123.04415	2.2
127.11150	0.5
131.04947	0.9
135.03360	0.9
135.04398	23.8
136.05170	0.5
137.02335	0.9
138.03102	3.3
139.03903	4.1
143.04961	0.5
145.02834	16.4
147.04390	9.3
149.02307	4.1
149.06000	0.8
151.03897	0.5
153.05449	91.1
159.04388	1.7
161.05966	1.0
163.03876	100.0
173.05966	0.5
175.03847	2.8
177.01784	3.6
177.04037	0.8
177.05312	3.0
181.04892	2.1
187.03899	3.3
189.05408	2.2
191.03351	1.0
195.06485	11.3
203.03372	33.0
205.04922	4.0
209.04453	2.9
213.05382	1.0
215.03412	6.0
217.04915	0.6
219.02824	0.5
221.04332	0.5
231.02762	4.2
233.04417	2.5
234.06087	0.9
261.03796	2.8
275.05484	0.7
279.04953	5.8
291.04974	3.4
303.04684	0.6
321.05945	1.7
339.07022	7.2
369.34467	0.4
371.12643	1.7
371.13867	0.8
371.16602	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	371.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
59.04990	0.9
67.05473	0.7
69.03415	1.5
70.06580	0.7
71.26343	0.5
73.88384	0.6
79.05460	2.7
83.04961	0.9
85.02881	1.3
87.00867	0.6
89.03888	5.6
95.01314	2.3
95.04954	0.7
95.08610	0.6
100.17786	0.6
103.05405	0.7
107.04939	3.8
109.10132	6.9
111.04438	2.5
113.09591	0.9
117.03364	7.4
119.04913	0.8
121.02862	0.7
123.04405	3.8
131.04881	2.5
133.10187	0.6
134.66580	0.6
135.04399	27.1
138.03105	3.4
139.03885	3.2
145.02835	15.5
147.04416	10.5
149.02312	3.5
153.05450	100.0
159.04463	1.1
161.05959	0.8
163.03877	97.0
173.11693	1.2
175.03889	2.4
177.01830	3.7
177.05478	2.8
181.04942	1.4
182.00424	0.6
187.03860	3.0
189.05360	1.1
191.03273	0.9
195.06482	12.0
203.03374	35.8
205.05011	4.8
209.04391	1.1
209.07895	0.6
213.05417	0.8
215.03346	6.1
221.04405	0.8
229.04973	1.0
231.02927	4.9
231.06557	0.8
233.04422	2.9
257.04443	0.7
261.03879	3.2
275.05579	0.7
279.04910	6.2
291.04962	3.7
321.06018	1.2
339.07077	7.8
371.12888	3.5
371.17172	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	370.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81761	2.5
55.01862	14.6
55.05507	21.3
57.03432	4.1
57.07083	2.2
67.05499	43.2
67.95852	2.2
69.07055	26.5
71.04979	3.3
79.05047	4.5
79.05476	77.1
79.47657	2.3
81.03383	4.7
81.07041	43.7
83.04978	11.0
83.08591	2.3
84.28629	2.3
84.52162	2.3
85.91599	2.4
91.05460	100.0
93.07023	46.5
94.02903	2.6
95.04932	15.4
95.08603	21.1
97.06493	12.9
97.50822	2.1
98.97545	2.9
99.04478	2.3
103.05482	2.9
105.07011	55.4
107.04948	14.2
107.08569	27.2
109.06530	4.6
109.10096	5.0
115.05430	10.9
115.36965	2.6
117.07004	85.4
119.08572	36.9
121.06454	5.0
121.10117	16.4
123.08071	3.9
123.58554	2.7
128.06195	10.4
129.06985	46.2
130.07758	3.4
131.08545	78.2
133.06435	6.0
133.10081	31.6
135.08060	14.8
137.09644	3.3
139.11143	2.8
141.06981	27.3
142.07762	10.4
143.08572	21.5
145.06503	4.2
145.10106	38.0
147.08041	3.9
147.11618	3.9
149.09613	12.5
153.06981	2.5
154.07849	3.3
155.08557	30.5
157.06584	2.9
157.10071	24.3
159.08009	10.7
159.11691	12.0
161.09589	14.2
167.08553	10.1
169.10072	17.8
171.11617	5.4
173.09680	5.7
173.13251	4.9
175.11110	5.9
178.07785	2.4
181.10071	3.5
183.11676	22.1
185.09631	3.7
185.13295	4.9
187.11118	10.0
187.19034	2.7
193.10074	3.6
195.11623	3.1
201.12674	20.6
205.12276	3.9
211.11171	3.2
213.82092	2.3
215.14204	3.2
219.13850	12.6
229.12173	5.0
234.64560	2.8
281.18982	4.1
299.19940	14.7
299.22961	2.7
317.21072	3.4
353.47610	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03931	4.6
54.63165	4.4
54.81546	6.9
55.05508	27.5
57.07068	9.6
59.05007	4.9
67.05505	46.8
68.92349	5.6
69.07053	10.9
71.04974	7.8
79.05479	39.1
81.07044	38.2
91.05470	73.6
93.07023	48.3
94.05450	6.5
94.69162	5.5
95.04964	33.9
95.08585	68.9
97.06556	7.1
100.70219	5.6
105.07032	82.0
107.08555	52.8
109.06503	11.4
109.10178	31.6
111.04437	6.7
111.08083	31.1
115.08719	6.4
117.07005	32.8
119.08562	100.0
121.10105	59.9
123.08094	10.8
123.11629	8.9
128.06189	7.9
129.06975	30.6
131.08536	45.8
133.10141	55.7
135.08032	25.8
135.11694	9.9
137.05984	86.1
142.07800	12.6
143.08554	40.6
144.09306	8.7
145.10130	60.0
147.07994	8.9
147.11662	13.7
149.09570	10.1
155.08517	23.2
156.09309	24.5
157.10104	64.1
159.08107	10.3
159.11668	40.8
163.11130	9.9
163.14847	7.1
167.08510	8.5
168.09233	8.8
169.10077	26.4
170.10860	6.7
171.11688	27.1
173.13226	11.8
175.14832	13.2
179.08600	8.1
181.10132	7.4
183.11729	30.5
184.12489	9.6
185.13242	12.8
187.14857	13.7
193.40767	6.1
195.11673	11.7
201.12833	10.2
203.17804	5.4
207.11687	10.0
209.13318	15.3
211.11353	6.5
211.14970	11.2
213.16463	6.3
222.51700	5.8
237.16354	6.5
265.19479	10.7
369.24158	10.8
369.42892	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	370.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.05504	7.0
55.32364	0.2
56.05032	4.7
56.75534	0.1
57.03418	0.9
57.05494	0.1
61.02924	0.2
69.00891	0.2
69.03399	0.9
69.99287	2.3
70.03735	0.2
70.06561	0.2
71.04959	1.1
72.08143	1.3
73.06525	1.1
79.05428	0.2
81.03396	0.8
82.03738	0.2
84.04465	0.2
84.08128	3.0
85.02889	1.7
86.03231	0.2
87.00790	0.9
87.01936	7.4
89.01226	0.2
90.69553	0.2
92.09264	0.4
97.02863	0.4
98.06034	8.5
99.01913	0.4
99.04437	1.8
105.01811	0.2
106.06548	4.5
115.08657	1.0
121.48030	0.2
127.03864	0.5
127.08656	9.7
128.04222	0.4
131.06036	2.3
141.06570	100.0
145.04965	0.3
148.11130	0.8
157.13329	3.4
169.13326	3.9
246.12331	3.0
288.16995	4.9
288.88620	0.2
328.09604	0.7
370.14258	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	368.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36218	7.6
55.01862	11.1
55.05510	21.8
57.07062	14.1
65.21617	9.6
67.05498	56.5
69.07059	13.2
71.04993	8.6
71.06320	9.0
71.08616	35.2
79.05483	46.0
81.07045	50.4
83.04961	13.2
88.16241	8.8
91.05466	100.0
93.07022	48.3
95.04971	10.8
99.08083	21.9
105.07030	62.7
107.08555	15.7
115.05424	11.4
117.07014	99.5
118.93149	8.6
119.08567	44.1
128.06209	11.5
129.07027	60.7
131.08557	58.9
141.06993	44.3
141.12730	13.7
143.08551	48.8
145.10167	33.3
154.50468	10.2
155.08545	50.9
157.10060	11.4
159.11678	13.0
161.09579	11.1
169.10072	14.8
171.11668	10.8
181.10043	10.4
187.11156	10.4
193.01457	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	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.5
53.03936	1.3
55.01871	3.7
55.05511	7.1
57.03436	13.8
57.07063	5.8
59.04996	5.6
61.02906	3.2
67.05500	7.6
69.03420	9.2
69.07059	37.3
71.03693	0.4
71.04979	33.1
73.02898	2.4
73.06547	6.1
79.05477	8.7
81.03404	4.8
81.07043	45.4
83.04964	2.4
83.08608	9.8
85.02895	34.5
85.06523	2.7
87.00798	2.1
87.04430	0.5
89.03938	0.5
91.03933	0.6
91.05473	4.6
92.08630	0.5
93.07027	27.2
94.04062	0.5
95.04947	2.2
95.08589	10.3
97.02878	12.1
97.06514	6.6
99.04416	2.9
99.08086	6.3
105.01825	0.6
105.07018	4.5
107.08580	27.4
109.02869	3.1
109.06516	1.0
109.10148	21.9
111.04409	0.7
111.08081	4.0
117.03364	0.6
117.06949	0.8
119.08562	6.7
121.10136	0.5
122.06033	0.9
123.08085	0.9
125.09615	3.0
125.13271	6.3
125.54086	0.5
127.03920	7.9
127.11163	11.4
131.08566	2.1
133.10120	0.9
135.04445	0.7
135.08034	1.0
135.11681	35.5
137.05969	0.7
137.13211	0.5
143.08549	0.7
145.02866	1.2
145.04953	5.2
145.10077	1.0
147.08067	1.0
147.11685	0.5
153.12732	100.0
161.09564	0.6
161.91698	0.5
163.03937	0.7
163.06038	0.8
164.06990	0.6
165.12753	2.5
171.10135	1.7
171.11522	0.6
171.13774	16.8
173.09665	0.9
177.05421	2.0
177.12708	0.6
189.11121	0.8
189.12720	0.7
189.14847	0.8
207.13857	0.6
208.80486	0.6
231.04916	0.8
261.14960	0.6
279.15875	0.6
297.16898	2.8
315.17941	3.3
368.10303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.3
53.03928	7.1
55.01622	2.1
55.01867	42.3
55.05506	23.1
57.03430	13.3
57.86755	1.3
65.03904	7.0
67.05491	62.7
69.03410	7.1
69.06723	1.6
69.07057	36.4
71.04984	10.2
72.83271	1.2
75.50915	1.3
79.05474	85.1
81.03384	24.6
81.07037	94.8
83.04969	24.0
83.08591	7.9
85.02882	32.2
85.06513	7.8
87.04465	1.6
90.04093	1.4
90.32455	1.3
91.05460	100.0
93.03395	2.2
93.07018	87.7
95.04948	38.2
95.08579	36.0
97.06526	15.6
99.04429	12.2
99.08035	1.5
101.02338	2.4
103.05419	6.8
105.07015	70.1
106.66038	1.6
107.04948	28.5
107.08582	39.4
109.06505	24.9
109.10129	9.5
111.04418	13.1
111.08064	6.8
115.05438	8.5
116.06246	3.3
117.06999	70.5
117.42316	1.4
119.04852	2.1
119.08568	31.4
121.06483	19.4
121.10110	19.0
121.30634	1.4
123.04406	2.7
123.08046	37.0
125.09624	2.0
128.06183	10.8
129.06987	40.2
130.07712	2.6
131.04906	5.7
131.08549	70.5
133.06474	20.4
133.10104	14.2
135.08023	26.5
137.05933	3.5
137.09601	21.4
139.11180	2.3
141.06973	21.6
142.07785	5.6
143.08531	22.3
145.06471	9.8
145.10124	26.2
147.08020	10.0
147.11693	6.3
149.05971	2.8
149.09604	21.2
151.07489	1.7
153.01770	3.4
153.06987	3.1
153.09077	6.8
154.07774	3.5
155.08527	20.7
157.06487	2.6
157.10086	9.9
159.08038	23.2
159.11665	9.7
161.09544	14.1
163.07564	1.7
163.11177	1.7
165.06953	3.0
165.09099	9.0
166.07758	3.5
167.08493	7.7
167.10634	2.0
169.10089	16.4
171.07979	5.6
171.11678	11.7
173.09572	7.7
175.11137	5.6
177.09055	6.3
179.08537	2.4
181.10088	9.6
183.07982	1.9
183.11633	6.5
185.09637	3.4
187.11159	15.7
190.95360	1.8
191.10596	2.5
193.12253	6.3
195.11681	3.7
197.09575	2.3
199.11128	12.4
201.12747	7.2
201.35150	1.7
205.10156	1.7
205.12230	7.3
207.13905	1.9
213.12691	3.3
215.10632	8.4
215.67209	1.5
217.12129	2.1
231.13814	10.8
235.13156	2.1
247.13110	2.6
251.17834	1.9
279.17343	2.0
297.18317	12.8
315.19537	31.6
333.20499	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	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26139	0.4
53.03933	4.7
54.81318	0.5
55.01674	0.5
55.01867	8.6
55.05502	0.5
57.03217	0.5
57.03429	8.3
61.02921	8.2
64.64848	0.6
68.99760	2.5
69.03416	42.2
69.07047	0.9
71.01319	0.8
71.04638	0.6
71.04959	4.4
73.02892	7.2
81.02941	1.2
81.03404	28.9
83.01310	0.7
85.02892	100.0
87.00814	54.0
87.01365	1.4
87.73586	0.6
91.03900	1.3
97.02872	30.5
99.04432	14.7
100.54538	0.6
101.02321	0.9
105.01852	42.1
108.04466	0.8
109.02145	1.1
109.02863	25.3
115.03942	0.6
117.01817	3.1
124.88792	0.7
127.03891	48.9
129.01822	3.0
145.04944	18.8
147.02855	1.0
153.12700	1.1
153.81464	0.6
159.02878	13.1
189.03995	2.5
213.03905	0.9
231.04955	12.4
249.05949	4.9
384.59851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13006	1.0
53.03942	2.4
55.01858	2.4
55.05511	9.6
57.03428	7.6
57.07065	1.2
59.04981	2.2
61.02910	1.2
67.05491	11.2
69.03417	21.7
69.07073	9.1
71.04967	16.7
73.06542	2.3
79.05473	11.4
79.56712	1.0
80.04976	1.0
81.03401	2.6
81.07049	23.0
83.04962	23.2
83.08601	8.2
85.02894	22.5
85.06517	5.5
87.04465	8.6
91.03938	1.2
91.05455	10.9
93.07030	64.1
95.04961	9.6
95.08596	4.6
97.02856	8.4
97.06509	7.9
97.10204	1.2
99.04447	4.6
105.07020	4.7
107.08584	60.3
109.02827	1.9
109.06544	8.3
109.10152	22.5
111.04429	6.5
111.08073	34.0
115.03921	6.9
115.07596	1.3
117.07016	1.4
120.49451	1.1
123.11674	1.6
125.09612	73.1
127.03872	4.4
127.07527	2.8
129.09067	1.7
135.08038	31.3
135.11644	14.5
137.02350	1.5
139.27812	1.4
143.10661	5.4
146.06065	1.7
153.09093	100.0
153.12721	45.7
171.10138	86.0
189.11229	4.6
206.04530	1.7
215.40433	1.1
226.07751	1.2
287.03687	1.5
328.50089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05506	26.8
55.64304	0.6
57.03426	1.0
61.02924	1.2
63.92467	0.6
69.03423	3.9
69.07058	6.2
81.03405	1.5
83.08604	0.6
85.02890	13.4
87.20180	0.8
92.73853	0.6
97.02886	4.0
97.10151	100.0
97.69456	0.6
99.04403	0.9
100.49735	0.6
107.08590	0.6
118.31434	0.7
125.09610	21.4
127.03909	0.8
143.10663	42.7
145.04974	1.0
171.10120	6.9
189.11194	44.0
206.13766	0.9
211.47421	0.7
213.54642	0.8
284.06293	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
53.03931	5.0
55.01873	7.5
55.05502	2.9
57.03434	8.6
57.07066	0.7
61.02917	7.4
67.05488	3.1
68.99783	3.2
69.03416	41.6
69.07059	5.7
70.52232	0.6
71.04980	9.3
71.08614	3.6
73.02901	8.1
81.03400	24.9
83.08600	1.5
85.02892	100.0
87.00813	56.3
87.01364	0.8
87.01620	0.9
91.05446	0.9
93.07015	1.3
94.06558	1.6
95.08617	1.2
97.02874	29.5
97.06519	2.9
99.00849	0.8
99.04430	12.2
99.08078	4.3
101.02359	0.8
105.01850	52.0
107.08600	1.0
107.77640	0.8
108.04480	1.2
108.08111	1.3
109.02860	25.9
109.10139	7.7
110.06030	0.8
115.03909	1.1
117.01865	1.5
122.05997	5.2
122.78211	0.8
124.07558	3.3
127.03898	52.3
129.01828	3.3
134.55290	0.7
135.11687	3.1
136.07552	3.3
138.09123	9.1
140.10704	1.0
145.04939	17.4
145.12244	8.8
147.02844	1.1
153.12718	5.3
159.02890	6.7
164.07021	6.1
171.13794	8.4
189.03922	2.7
189.14792	5.2
213.03911	1.6
231.04913	12.4
249.06023	5.7
274.10294	0.7
294.76324	0.7
301.08932	1.0
310.09576	3.1
324.10327	0.9
332.10684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05505	3.6
57.03424	0.4
58.06595	12.9
62.99063	1.4
63.31731	0.3
67.05485	1.4
69.07047	0.7
71.04986	5.4
71.86858	0.4
72.05743	0.6
73.04022	4.2
73.06542	2.7
78.04688	0.4
79.05475	5.8
81.07047	2.0
83.04958	0.7
83.08594	0.4
86.06040	0.4
91.05466	1.4
92.05009	0.6
93.07026	1.4
95.04954	2.9
95.08590	0.5
105.07021	1.4
106.06542	100.0
107.08601	0.8
109.06481	0.5
111.04426	0.4
115.08606	0.4
119.08575	0.6
120.04480	1.5
129.35152	0.4
131.08557	0.7
134.06003	7.4
135.04735	9.1
145.10181	0.4
152.07375	2.1
164.07376	9.2
164.08742	0.4
178.05263	0.5
191.11824	0.7
192.07668	4.0
234.12347	7.9
255.71465	0.4
368.16367	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	368.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.4
55.05507	5.7
56.04769	0.3
56.05031	6.9
56.96560	0.3
57.03422	1.3
58.13947	0.2
62.99056	0.3
67.05490	0.4
69.00906	0.2
69.03433	0.8
69.99294	2.3
70.06590	0.2
71.04966	0.5
72.08132	0.3
73.06551	0.8
73.46396	0.2
82.06590	0.2
83.04958	0.2
84.04488	0.5
84.08126	4.9
84.60114	0.2
86.09688	0.5
87.01936	6.5
89.41025	0.2
98.06041	7.3
98.97522	0.3
99.01906	0.4
99.04434	2.0
100.63495	0.2
104.04936	0.5
105.05753	3.1
106.06538	6.1
107.08587	0.2
115.08658	0.4
122.06006	1.2
127.08659	14.9
131.06018	0.3
134.46646	0.2
141.06573	100.0
152.86029	0.2
157.13290	2.1
160.71626	0.2
164.07095	0.4
169.13336	6.4
172.64362	0.3
174.17183	0.2
246.12343	4.3
288.17017	7.0
338.11960	0.9
347.12512	1.0
347.62708	0.9
368.16327	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48771	0.9
52.92460	1.0
53.03943	14.4
53.64776	0.9
55.01867	15.4
57.03434	10.0
59.96018	0.9
60.04513	2.1
61.02922	10.3
62.89568	0.8
68.99780	4.9
69.03416	44.0
71.04992	8.4
72.17589	0.9
73.02906	16.9
80.04994	1.2
81.02931	1.7
81.03406	51.1
82.09245	0.9
85.02895	100.0
87.00816	54.8
87.01356	1.4
91.03923	5.6
97.02879	61.1
98.06048	2.1
99.04446	23.9
105.01860	35.7
108.04464	13.3
109.02869	38.5
117.01823	8.9
126.05499	6.8
127.03902	58.2
129.01826	6.3
145.04950	31.4
147.02910	2.1
159.02872	23.2
213.03876	1.8
230.06619	1.6
231.04910	8.4
248.07617	6.7
249.06042	1.6
391.61548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08635	0.8
53.03944	10.5
54.16999	0.9
55.01871	13.3
55.05502	1.1
57.03437	9.4
57.07058	4.4
61.02919	9.8
61.18888	1.1
65.03916	1.4
67.05479	5.1
68.99775	2.1
69.03069	1.7
69.03420	36.2
71.04980	8.4
73.02901	11.6
76.00356	1.1
78.74860	1.0
81.03403	38.3
81.07024	1.2
83.04971	4.5
83.69957	1.1
85.02893	100.0
85.06532	73.2
85.55959	1.0
87.00814	40.9
87.04407	1.3
91.03925	1.7
93.03372	1.3
93.07040	2.2
97.02872	61.4
99.04430	19.5
101.05997	1.2
103.03873	1.5
105.01848	28.3
109.02145	1.6
109.02872	38.4
110.03552	1.1
111.04411	3.8
115.03922	1.4
117.01826	6.0
125.05968	1.4
127.03893	61.1
129.01776	1.9
129.05435	1.4
145.03833	1.4
145.04950	31.9
147.02895	1.4
153.09074	4.6
159.02881	16.5
171.06502	1.8
171.10002	1.3
178.05099	1.4
189.03983	1.4
189.07455	1.6
211.09688	7.8
213.03893	2.2
231.04950	15.7
240.94255	1.2
249.05850	4.0
315.10803	2.7
335.28793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01871	0.4
57.03435	0.4
58.21776	0.2
61.02906	1.8
63.37435	0.2
69.03416	4.8
71.04964	0.4
72.66257	0.2
73.02894	0.4
81.03397	2.0
85.02888	9.2
85.06525	2.3
87.00795	0.3
87.04485	0.2
88.11238	0.5
91.03901	0.4
97.02873	4.4
99.04414	0.9
109.02850	0.9
111.08047	0.3
127.03883	1.8
132.04427	9.3
145.04950	1.1
160.03917	0.3
171.10236	0.2
176.16028	0.2
178.04955	100.0
179.05356	0.3
189.07500	0.3
206.04451	87.8
207.04851	0.3
229.10637	0.2
231.04982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44415	0.8
53.03940	13.0
54.94430	0.8
55.01868	16.1
55.05502	1.4
57.03433	10.9
57.07069	0.9
60.04519	1.2
61.02918	9.9
68.08697	0.9
68.99777	5.0
69.03418	48.3
71.04978	7.5
72.87100	0.9
73.02903	13.9
73.06524	1.7
75.04487	0.8
77.34425	0.9
80.04978	1.3
81.03400	43.1
83.01330	1.4
83.04950	1.5
85.02892	100.0
87.00816	54.1
87.04478	1.2
91.03948	4.5
95.08602	1.7
97.02874	63.2
99.04435	21.3
105.01852	33.7
107.08581	1.0
108.04477	11.1
109.02866	38.0
109.10172	1.6
115.03895	1.5
117.01842	8.1
126.05486	4.7
127.03900	56.7
129.01860	4.9
140.09032	0.9
145.04945	36.8
147.02902	1.6
153.12720	1.7
156.56100	0.8
158.26364	1.1
159.02861	26.0
171.13809	5.2
177.61444	0.9
212.05527	1.2
213.03850	1.5
230.06444	1.8
231.05043	11.3
246.38823	1.0
248.07651	5.0
249.06084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51463	3.3
55.05505	6.9
67.05494	17.1
69.07059	33.2
79.05482	28.4
81.07043	100.0
81.48022	4.8
82.20686	5.0
83.08606	6.7
92.08643	14.1
93.07032	39.3
95.08585	78.6
105.06994	42.4
107.08591	62.7
109.10154	39.4
114.37382	5.9
119.08578	23.4
121.10150	26.9
123.11713	18.8
127.86580	4.8
132.98264	4.1
133.10141	9.6
135.11693	26.9
137.13248	11.0
145.10139	4.9
147.11682	7.5
149.13293	20.5
159.11659	7.2
161.13239	10.6
163.14804	10.3
173.13441	5.0
175.14822	10.2
187.14813	16.3
229.19685	5.7
231.21121	8.2
238.15414	4.9
243.21062	6.2
257.22519	7.6
271.24243	6.6
285.25726	6.3
302.72385	4.8
367.33643	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76518	4.0
50.98011	4.5
55.05497	23.2
57.07068	5.2
57.19325	4.4
67.05492	32.4
69.07045	8.0
73.27921	4.1
75.82758	4.3
79.05470	35.7
81.07040	38.6
91.05457	56.7
92.08620	10.5
93.07020	68.0
95.04946	33.8
95.08580	33.4
97.06512	11.7
103.05428	6.0
105.07019	100.0
107.08590	43.5
109.06515	8.8
109.10152	33.0
117.07008	10.7
119.08562	89.0
121.06487	7.5
121.10124	29.6
123.11803	4.9
128.06169	9.6
129.06981	7.2
130.07724	8.6
131.08557	51.8
133.10118	42.8
135.08023	7.6
135.11609	7.8
142.07785	7.2
143.08563	28.2
144.09317	11.2
145.10107	45.2
147.11635	6.5
155.08478	6.0
156.09375	9.0
157.10104	34.4
159.11655	23.1
161.09575	27.8
169.10152	9.6
170.10884	6.7
171.11630	9.0
173.13261	11.6
183.11728	6.6
206.78711	5.5
209.13306	10.7
227.14253	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	367.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01851	0.3
55.05506	0.2
56.96547	0.2
64.33403	0.2
69.07047	0.4
70.05740	0.2
75.83519	0.2
77.31996	0.2
79.05480	2.2
86.24994	0.2
89.03898	11.7
91.05460	0.2
92.08635	0.4
92.64111	0.2
95.04951	0.4
100.11240	0.3
107.04288	0.3
107.04947	4.2
107.08540	0.2
117.03362	16.7
118.06516	2.4
130.06505	0.9
130.08658	0.2
132.08086	2.2
135.04398	37.0
142.06445	0.3
143.07298	0.3
144.08044	1.9
145.02832	21.7
146.05986	10.7
151.55284	0.2
154.12262	0.3
159.09143	3.7
162.05478	0.4
163.03877	100.0
170.05998	0.5
186.05370	0.2
188.07039	13.7
205.09706	5.8
216.64790	0.2
244.92473	0.2
313.76428	0.2
318.68936	0.2
367.12671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01240	2.7
53.03940	5.2
55.05515	32.3
57.07070	5.9
59.05007	2.2
62.86223	2.9
65.03912	3.3
67.05493	41.8
69.03409	4.7
69.07056	24.3
71.04979	4.3
74.38673	2.5
79.05479	35.7
81.07051	56.3
83.08642	4.2
83.55992	3.5
84.74451	2.8
85.06526	4.5
89.06060	2.8
91.05469	55.1
93.07034	79.0
95.04961	33.8
95.08598	53.9
97.06535	6.1
103.24889	2.7
105.07026	100.0
107.08595	57.1
109.06515	12.8
109.10150	29.7
115.05419	4.8
117.07015	27.0
119.08581	99.8
121.06488	6.1
121.10128	44.4
123.11713	5.0
128.06212	15.8
129.06987	22.5
130.07803	18.6
131.08566	57.9
132.09251	2.9
133.10126	50.2
135.08035	12.1
135.11687	15.9
137.09544	3.7
141.06966	5.4
142.07777	26.5
143.08559	40.9
144.09343	12.8
145.10121	58.8
146.07178	4.2
147.08122	5.0
147.11673	15.8
149.09590	3.8
153.07021	3.1
155.08566	13.6
156.09319	12.4
157.10118	48.4
158.10841	4.9
159.08031	3.5
159.11670	28.9
161.09610	28.9
161.13274	3.6
167.08620	3.7
168.09259	4.3
169.10152	19.9
170.10832	4.4
171.11613	22.1
173.09592	3.7
173.13347	20.3
175.11151	3.3
175.14850	6.2
179.08592	12.2
181.10188	5.9
182.10883	3.3
183.11665	19.2
184.12372	3.2
185.09509	3.5
185.13200	6.0
187.14833	4.6
195.11688	11.6
197.13280	13.1
199.11147	3.1
199.14743	6.7
201.16249	3.4
207.11649	5.9
209.13278	16.7
211.14818	6.6
227.14297	6.5
254.91072	3.2
257.18982	3.6
317.89365	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61486	0.3
54.96494	0.3
60.46410	0.3
69.96124	0.3
101.00833	1.3
110.68741	0.3
119.01913	11.8
134.99799	0.7
137.02943	6.8
153.00856	0.5
158.99757	0.6
160.00127	0.3
177.00922	32.6
178.00931	1.4
182.99980	0.4
193.04004	0.6
195.01984	0.5
200.02583	0.4
201.00880	1.4
217.04100	4.9
217.99005	0.6
219.01984	42.7
220.02075	3.4
220.32318	0.3
223.98030	0.5
225.00951	1.4
234.99948	3.4
236.00061	6.6
236.99614	0.4
239.53688	0.3
241.98828	0.4
242.40234	0.3
243.01903	4.1
253.01016	1.2
254.01053	3.5
258.97391	0.6
258.99930	5.2
260.00070	13.3
261.03018	100.0
262.03122	3.3
263.03043	0.7
263.62405	0.3
265.98959	1.3
277.01001	9.8
278.01105	25.1
279.00876	1.4
279.47864	0.4
282.99976	8.0
284.00046	22.0
284.04770	1.3
284.99762	1.9
291.99622	0.4
292.99866	0.5
300.98001	0.7
301.00998	23.1
302.01123	69.0
303.01025	4.7
319.02042	1.6
320.02142	7.1
325.02325	0.6
326.01129	2.3
343.01990	3.8
344.02197	17.6
345.01779	0.7
361.03061	1.6
362.03232	6.9
385.03207	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.96539	1.2
65.99644	0.8
66.00613	0.8
67.52575	0.8
69.03423	6.8
70.06589	1.1
70.61617	1.0
79.05484	1.1
81.03393	1.7
81.07029	4.6
83.04980	1.1
85.02890	5.9
85.36941	0.8
86.03206	1.2
92.09333	1.7
95.08586	1.2
97.02865	3.4
97.06529	1.4
98.97561	0.9
106.67943	0.9
107.08591	1.9
108.04498	1.3
109.02844	1.2
109.06508	6.5
109.10126	1.1
110.06817	1.3
116.98525	0.9
120.08127	0.9
123.08054	1.5
123.11695	1.8
127.03861	1.1
130.06531	10.1
131.06822	8.1
141.09105	3.3
147.04434	1.5
148.07567	2.0
149.07942	1.1
151.07512	1.3
151.11188	1.2
158.06003	1.3
163.03978	1.0
169.08556	6.1
170.08919	3.3
176.07011	5.8
177.07358	5.7
187.09589	3.5
222.07660	0.9
223.04526	5.6
223.07875	1.3
233.26653	0.9
301.05646	1.5
320.20004	0.9
367.09952	100.0
385.09668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47434	1.3
57.07067	67.7
64.18231	1.6
71.08614	27.4
81.54848	1.6
85.10178	18.0
89.06013	100.0
107.07056	7.2
133.08548	22.7
138.00697	1.7
151.09645	2.1
177.11171	8.0
195.12245	33.3
349.29446	46.2
353.37976	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81506	1.1
55.01873	3.1
55.05507	13.2
55.96965	1.1
57.03424	6.8
61.02910	2.6
67.05497	45.4
69.03423	13.9
69.07058	21.0
71.04976	20.9
79.05463	9.4
81.03409	6.1
81.04533	5.0
81.07044	43.0
83.04970	12.9
83.08630	2.1
85.02893	39.2
85.06536	14.5
87.00805	3.1
91.05463	20.3
92.09277	1.7
93.06994	16.0
95.04961	3.1
95.08594	10.8
97.02875	7.9
97.06512	1.7
99.04430	5.5
102.68417	1.2
105.01868	1.6
105.07025	28.7
107.08578	42.0
109.02855	2.7
109.06509	7.4
109.09388	3.3
109.10145	100.0
111.08064	12.2
113.05999	5.5
122.07108	1.7
123.08007	2.2
123.11669	23.1
125.09636	2.7
127.03902	7.0
127.07517	3.3
127.11180	5.4
133.10110	78.2
137.05974	2.7
141.12714	1.9
145.04982	2.3
146.42249	1.3
151.11171	61.9
153.36572	1.5
163.03960	1.5
169.12222	67.8
170.09613	2.5
187.13243	13.0
198.09169	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.9
53.03932	1.9
53.78447	1.3
55.01859	2.5
55.05489	8.6
57.03416	8.2
57.07060	6.0
59.04980	17.5
61.02915	3.9
62.78660	1.4
65.03905	1.6
66.41732	1.8
67.05492	18.8
69.03413	30.9
69.07053	11.9
71.04979	32.5
71.08599	1.8
73.02886	2.1
78.94862	1.8
79.05474	19.6
81.03383	7.5
81.07039	96.0
83.04962	9.0
83.08589	3.5
85.02889	52.7
85.06525	12.6
86.09690	2.8
87.04449	8.3
91.03934	2.1
91.05446	8.0
92.08693	2.4
93.07029	21.1
95.04934	6.5
95.08574	19.2
97.02855	15.9
97.06508	20.5
97.10128	3.2
99.04417	7.7
99.08106	5.3
105.07013	7.9
107.08594	33.3
109.02823	3.6
109.06504	11.1
109.10138	54.4
111.08061	17.2
111.11685	2.2
113.02348	9.2
113.06005	6.2
117.07061	1.8
120.08035	1.9
120.23874	1.5
120.52921	1.7
121.10078	7.1
123.08034	11.0
123.11672	41.8
125.09599	2.9
127.03896	7.0
127.11164	8.3
133.10127	16.1
136.07570	3.0
139.11154	9.3
141.09074	10.0
145.04982	3.6
151.07562	3.4
151.11153	51.0
157.12172	2.2
167.95410	1.5
169.08519	11.8
169.12201	100.0
187.09663	11.1
187.13245	32.9
266.50827	1.8
276.30188	1.6
366.21414	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51469	1.6
53.00278	1.6
55.05495	6.9
57.03167	2.4
57.03425	34.1
61.02912	1.8
67.05477	12.6
69.03407	8.8
69.07043	11.7
71.04962	18.4
79.05478	16.3
80.25315	1.5
81.03402	7.0
81.07039	94.2
83.04969	9.4
83.08598	10.1
85.02888	21.7
85.06527	21.2
87.00814	2.4
91.05437	1.7
93.07041	2.8
95.04959	16.5
95.08576	12.4
97.02878	9.5
97.06489	3.8
97.10149	20.4
99.04424	3.1
105.01831	2.6
105.07018	1.9
107.08573	9.7
109.02875	1.7
109.10152	17.1
111.08031	4.0
113.05192	3.1
113.05987	92.0
120.08137	1.5
123.08073	13.8
123.11667	9.6
125.09612	42.6
127.03896	6.3
133.10100	3.4
136.07530	2.0
139.11188	2.5
141.09074	3.6
143.10654	76.4
151.07510	10.2
151.11185	11.7
163.30545	1.6
169.08534	2.6
169.12202	100.0
187.09608	11.5
187.13240	21.3
203.03137	9.9
204.03499	9.9
239.43051	1.7
243.59438	1.7
279.57257	1.7
366.08783	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88766	0.9
52.72497	0.6
53.00298	1.0
53.03941	4.4
54.81980	0.8
55.01864	4.1
55.05503	5.9
57.03434	3.4
59.04990	11.6
61.02911	2.0
63.37664	0.8
67.05497	9.1
69.03414	13.4
69.07054	9.3
71.04972	12.7
73.75587	0.8
76.56628	0.7
79.05469	21.5
81.03403	5.6
81.07039	100.0
83.04971	13.1
83.08603	1.2
85.02887	18.9
86.09691	3.8
87.00791	0.9
87.04456	4.9
91.05473	4.9
93.07024	25.3
95.04960	3.6
95.08587	13.9
97.02875	8.5
97.06516	7.2
99.04435	4.9
99.08054	1.2
105.07016	8.4
107.08577	9.6
107.77131	0.8
107.96996	0.8
109.02863	1.9
109.06519	5.5
109.10139	15.4
111.08077	7.2
113.02410	1.6
121.10137	7.6
123.08051	3.6
123.11672	19.7
125.09660	0.8
127.03880	8.0
131.08641	0.9
133.10127	5.6
136.07561	1.7
139.11165	1.0
141.09088	4.8
145.04935	4.3
151.07512	1.4
151.11169	13.6
153.93385	0.9
169.08591	5.3
169.12186	15.5
187.08133	1.2
187.09561	7.4
243.12273	1.6
283.72971	1.0
367.14084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01871	9.5
57.03422	2.5
59.04979	6.3
59.49366	1.2
61.02904	8.5
64.33436	1.3
67.05492	18.0
69.03422	13.4
69.07056	14.5
70.88717	1.3
71.04960	7.4
73.02905	2.0
79.05459	2.5
81.03383	10.3
81.06601	1.6
81.07043	32.4
83.04941	4.7
83.08592	5.4
85.02418	2.3
85.02892	46.4
85.06520	7.7
87.00811	7.4
87.04450	1.6
91.03897	2.0
91.05448	2.0
92.52300	1.1
93.07027	24.5
95.04950	16.5
95.08590	33.0
95.58395	1.2
97.02874	19.9
97.06525	17.8
99.04433	7.4
105.01841	3.1
105.07011	7.7
107.08587	20.2
109.02850	7.2
109.06525	12.1
109.10150	51.2
111.08051	12.8
113.06005	3.0
119.04946	1.3
120.64127	1.3
121.10076	2.8
123.08051	100.0
123.11700	31.1
125.05956	6.5
125.09597	2.3
127.03900	11.5
127.11156	1.8
133.06491	3.2
133.10104	2.0
139.11137	16.2
141.09084	21.8
145.04951	5.9
147.04385	2.0
151.07521	88.1
151.11140	18.8
159.02846	2.9
169.08559	30.3
169.12198	42.0
187.09616	68.1
187.13243	30.4
229.58075	1.4
231.05002	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21531	0.3
53.03939	5.6
54.81747	0.4
54.98108	0.3
55.01622	0.5
55.01868	9.6
55.05501	4.8
57.03173	0.5
57.03428	7.8
61.01530	0.4
61.02916	6.9
61.98196	0.4
67.05501	0.6
68.99768	3.2
69.03418	42.4
69.07063	0.5
71.01334	0.7
71.04979	6.7
73.02903	8.7
81.03402	28.4
83.01305	0.7
83.08613	1.0
85.02892	100.0
87.00813	51.9
87.04462	0.6
91.03922	3.3
93.07018	0.6
95.04964	0.7
95.08582	0.7
96.04388	0.4
97.02874	29.9
98.06003	0.5
99.04432	14.6
101.02363	1.0
103.03934	1.6
105.01850	39.1
105.07037	0.7
108.04479	2.5
109.02862	26.3
111.08073	1.8
115.03918	1.6
117.01836	3.2
118.02419	0.4
121.06480	0.5
126.05463	1.5
127.03893	50.2
129.01837	4.0
135.08098	0.4
139.07590	0.6
145.04938	20.5
147.02899	0.9
149.76382	0.4
151.07567	0.5
159.02864	13.0
163.03920	0.6
177.03944	0.5
189.03995	2.1
191.10710	0.7
191.94533	0.5
202.70708	0.4
202.87978	0.4
209.11761	2.5
213.03893	0.9
227.12741	0.5
231.04961	11.1
248.07584	0.5
249.05951	4.6
269.14063	0.5
295.11633	2.8
313.12833	0.6
357.64777	0.4
385.56314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.3
55.01867	12.3
55.05495	6.3
57.03427	11.1
59.05017	1.0
61.02919	11.4
68.99773	6.0
69.03410	52.6
71.04969	8.0
73.02908	12.2
79.35299	1.0
81.03397	41.0
81.07030	1.4
83.04959	31.6
85.02887	100.0
87.00809	68.0
87.01344	1.1
87.04437	2.0
91.03926	3.8
97.02869	78.6
98.30190	0.9
99.04430	20.3
101.02352	1.2
101.05984	1.8
105.01846	41.0
108.04485	2.0
109.02859	42.4
109.10141	1.2
115.03873	1.1
117.01830	6.6
127.03886	63.8
129.01779	5.4
145.04929	31.6
147.02838	1.9
159.02846	18.6
163.04158	1.0
169.08597	1.2
169.12125	2.0
176.12846	1.1
187.09731	1.0
197.28352	1.0
213.03899	2.0
221.95148	1.1
231.05084	8.1
233.86237	1.0
331.10043	4.7
375.82870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.36459	0.8
55.01863	7.0
55.05486	1.9
57.03418	5.5
57.03670	1.0
60.04517	1.7
61.02898	2.2
65.65884	1.1
67.05486	5.2
69.03410	9.5
69.07053	9.0
71.04974	2.3
73.67643	0.9
79.05477	2.5
80.56358	1.0
81.03384	1.8
81.07043	16.3
83.04967	1.3
85.02891	20.6
85.06541	2.3
86.37603	1.0
87.00806	1.5
87.04478	1.4
91.03968	1.0
91.38085	0.9
93.07047	5.0
95.04945	1.6
95.08592	27.2
97.02882	8.8
97.06517	24.5
105.07028	7.0
107.08588	8.4
109.02850	2.6
109.06521	6.3
109.10159	7.8
111.08083	1.5
113.05987	5.7
123.08048	90.8
123.11693	1.5
125.06029	1.7
125.09621	2.2
127.03908	2.5
127.11173	1.3
133.06447	9.5
133.10130	2.3
135.04385	1.3
141.09079	24.5
143.10643	4.1
145.04994	1.6
151.07527	100.0
151.11113	4.2
159.24826	1.4
169.08574	33.5
169.12202	11.6
180.08711	1.2
187.09628	77.5
187.11331	2.6
187.13268	2.6
246.48152	1.3
261.02100	1.1
291.51318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	23.6
60.72973	6.2
63.45908	5.0
67.05486	42.2
69.03418	8.6
69.07022	7.1
79.05486	47.2
81.07043	43.5
87.46905	5.4
91.05470	57.4
93.07024	50.5
95.04944	32.2
95.08582	31.4
105.07002	100.0
107.08569	38.2
109.06516	13.1
109.10133	35.7
117.07009	28.7
119.08550	85.5
121.06477	10.4
121.10138	30.0
122.07304	7.9
128.06169	9.3
129.06973	13.4
131.08534	36.9
133.10143	37.6
137.09608	37.8
142.07771	29.6
143.08557	40.3
144.09383	7.6
145.10109	43.2
147.08003	7.1
147.11644	13.0
149.09648	7.5
155.08504	6.6
157.10104	32.1
159.11606	11.6
161.09608	13.7
163.00870	6.3
171.11664	34.6
173.13261	8.8
179.08490	11.1
185.09616	6.7
194.10858	10.0
197.13295	8.5
207.11731	10.7
209.13286	11.2
261.27072	8.3
365.24585	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06070	9.0
55.05507	27.1
64.79152	10.0
65.81636	9.2
67.05486	52.5
69.03432	11.8
69.07056	17.9
73.34113	11.7
79.05486	45.3
81.07026	50.9
91.05460	47.2
93.07027	76.0
95.04945	100.0
95.08578	43.2
105.06998	83.5
107.08591	56.2
117.06996	18.0
119.08548	70.9
121.10139	42.4
128.06221	17.5
129.06975	20.5
130.41794	12.1
131.08546	24.4
133.10097	28.1
141.06987	12.2
141.71045	11.3
142.07799	15.2
143.08562	45.2
145.10097	41.0
147.08038	20.0
153.06964	14.7
155.08519	24.7
156.09349	26.3
157.10120	76.4
159.11696	23.0
165.06978	17.1
169.10123	52.3
170.10965	14.8
171.11664	20.5
173.13179	17.9
179.08545	44.5
180.09267	17.4
181.10046	23.5
182.10886	14.3
183.11652	25.5
183.65076	11.6
185.13194	13.0
193.10159	55.0
194.10881	13.5
195.11679	44.9
197.13249	16.4
201.12733	17.2
207.11755	25.4
209.13324	20.2
219.11501	15.6
221.13031	18.3
222.14072	15.0
233.13286	15.3
263.18066	14.8
291.55984	11.8
347.23810	24.7
347.93005	11.8
365.24622	84.0
382.66876	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16197	4.6
55.05487	9.4
56.16791	3.5
57.07059	3.7
66.85434	3.8
67.05483	27.7
79.05463	23.7
80.55730	4.3
81.07046	17.9
83.04972	5.4
91.05461	41.0
92.08688	6.7
93.07042	56.8
95.04932	46.7
95.08583	30.1
95.41225	4.3
97.06502	5.7
103.05412	5.0
105.07004	78.3
107.08579	26.6
109.06576	5.7
109.10146	6.8
115.05488	5.5
117.07018	25.8
119.08550	69.4
119.51080	5.1
121.10081	19.0
123.08027	4.7
124.84476	4.2
126.88860	4.7
128.03870	4.6
128.06183	18.5
129.06999	22.0
131.08528	29.2
133.10132	23.0
135.08083	17.9
141.06998	9.1
142.07748	44.2
143.08549	75.1
144.09375	10.0
145.10075	46.1
147.08072	5.6
154.07697	6.0
155.08601	5.9
156.09314	52.6
157.10101	100.0
158.10863	5.2
159.11679	27.2
167.08473	5.7
169.10075	9.5
170.10887	21.7
171.11656	20.0
172.08864	6.4
173.13191	7.5
179.08508	7.6
181.10138	22.7
182.10892	9.1
183.11719	25.2
184.12556	5.5
185.13229	71.7
187.11180	5.7
193.10136	11.0
194.10870	5.1
195.11742	34.4
196.12474	7.6
197.13249	10.2
199.14767	7.8
206.10886	5.8
207.11687	32.1
208.12521	16.5
209.13258	26.3
213.12712	7.8
219.11676	6.1
221.13269	8.0
223.14792	23.7
233.13242	7.3
234.13976	5.6
237.16374	6.8
246.14070	6.7
249.16336	11.5
251.17879	7.6
267.17584	5.5
309.18353	6.3
322.15988	4.7
347.23630	25.4
365.24631	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.7
55.05503	7.2
56.96559	1.7
57.03436	1.9
67.05495	3.2
69.07047	2.6
74.43771	1.8
79.05487	11.6
81.07053	15.8
83.04950	3.2
83.08647	2.2
85.02898	2.4
88.22951	1.6
91.05446	3.1
93.06998	11.6
95.05007	2.7
95.08607	6.2
95.77316	1.6
98.97576	3.5
105.07021	4.0
107.08582	6.0
109.06506	3.7
109.10178	2.4
111.04416	3.2
117.06959	1.8
119.08582	3.8
131.08485	2.3
134.52879	1.7
135.11726	2.4
145.10060	1.8
178.66956	1.7
205.08310	26.3
277.14014	2.1
291.19690	2.0
365.19131	32.7
365.22968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.6
56.10117	10.9
57.28141	13.1
61.47478	14.0
64.58967	12.8
67.05491	16.2
69.07055	18.2
79.05473	23.8
81.07037	58.3
91.05444	81.8
93.07005	32.5
95.04939	76.5
105.07006	100.0
107.08553	29.8
112.10990	15.1
114.38441	12.7
117.06978	22.8
119.08553	53.2
121.10120	22.8
122.25520	15.9
128.06029	14.0
129.06981	22.6
131.08553	55.8
142.90842	13.0
143.08542	50.8
145.10107	61.9
157.10059	60.2
157.21669	12.7
170.10910	18.8
171.11656	17.2
173.13130	22.1
180.09325	15.7
181.10059	17.8
183.11661	30.4
189.69667	12.9
195.11594	21.3
207.11671	32.2
224.73665	12.4
291.17426	19.8
294.21594	14.7
347.23712	18.3
365.24652	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05511	32.6
56.48338	2.3
57.07069	6.2
61.30292	2.8
67.05492	32.3
69.03429	4.5
69.07059	12.1
79.05479	41.0
81.07047	33.8
83.04961	4.1
83.08614	2.8
85.06543	4.6
91.05461	77.7
91.06008	4.4
93.07018	77.9
95.04951	49.7
95.08600	24.5
97.06520	5.8
103.05453	6.4
105.04500	3.0
105.07019	100.0
107.08583	45.5
109.06506	15.3
109.10141	15.6
115.05466	5.1
116.06219	2.9
117.06988	27.7
119.08566	81.8
121.06460	6.7
121.10140	46.5
123.08051	5.8
123.11644	3.2
128.06232	17.2
129.06975	36.5
130.07779	7.0
131.08537	62.6
133.10078	22.9
135.08041	6.4
135.11633	3.0
141.06993	12.2
142.07794	29.4
143.08557	50.0
144.09344	6.5
145.06395	3.3
145.10106	64.1
147.08049	13.2
147.11699	18.5
149.09561	10.0
149.13203	3.9
153.07001	6.7
154.07732	3.9
155.08546	32.6
156.09319	22.2
157.10095	52.2
158.10922	16.9
159.08095	5.8
159.11674	30.5
161.09601	13.2
161.13188	4.2
165.07001	17.4
166.07770	5.9
167.08536	21.4
168.09309	22.4
169.10088	42.6
170.10909	12.4
171.11700	22.8
172.12471	12.0
173.09637	6.4
173.13231	59.3
178.07765	6.6
179.08563	19.9
180.09283	6.2
181.10077	28.9
182.10922	17.5
183.11682	76.4
184.12480	3.8
185.13284	7.1
187.11197	6.5
191.08566	5.7
191.14259	26.2
192.09335	5.8
193.10057	29.9
194.10899	16.4
195.11650	27.5
195.15343	3.4
196.12517	5.0
197.13164	22.9
198.14008	3.2
199.14812	7.0
201.12781	22.2
205.10152	5.1
206.10872	12.5
207.11674	33.0
208.12479	16.9
209.13255	17.0
210.14133	4.5
211.11253	3.0
211.14790	11.9
213.12769	3.2
216.15074	14.0
218.10861	5.2
219.11723	16.6
220.12495	4.6
221.13184	21.3
223.11299	3.3
223.14812	16.0
229.09935	3.2
233.13214	14.1
235.14786	11.6
243.11697	3.7
247.14845	5.9
248.15607	4.6
249.16386	16.5
258.13989	3.4
259.14734	3.3
263.18005	5.5
267.17471	5.3
273.16351	6.0
291.17349	6.6
307.07678	3.1
337.21725	2.9
347.23657	14.8
365.24680	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10767	0.5
53.20865	0.4
53.50433	0.4
54.81504	0.5
55.01860	1.0
55.05508	8.7
57.03426	2.9
57.07067	4.8
58.12337	0.5
61.02911	2.3
66.52437	0.5
67.05495	9.1
69.03419	4.2
69.07056	19.9
71.04978	2.7
72.47605	0.5
73.02889	0.5
79.05471	4.9
79.52937	0.6
81.03395	2.3
81.07044	28.1
83.04960	0.7
83.08606	8.8
85.02891	15.7
85.06547	4.7
91.05467	4.4
92.08744	0.8
93.07029	36.7
93.72910	0.5
95.04945	2.1
95.08585	18.6
97.02868	3.2
97.06519	6.4
99.08076	2.6
105.04495	0.5
105.07011	4.8
107.08582	84.6
109.02879	0.8
109.06494	1.1
109.10145	25.0
111.08077	5.3
119.08531	0.6
120.08131	0.7
121.10129	47.0
123.08059	1.1
123.11687	100.0
125.09609	0.9
125.13225	1.2
127.03914	2.3
130.06523	5.5
132.04436	0.7
137.02388	0.7
145.04877	0.8
148.07529	0.9
149.09694	1.1
149.13242	55.2
158.05998	2.2
167.10696	2.4
167.14284	63.6
176.07022	3.7
185.11823	2.0
185.15327	26.4
203.16313	0.9
222.07605	1.2
230.75644	0.5
242.05766	0.7
242.62553	0.6
255.06517	0.5
307.57874	0.6
365.11649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01894	2.0
55.05488	2.3
56.96553	4.5
60.92222	2.4
62.34077	1.8
67.05492	4.1
67.25240	1.9
69.07050	3.6
79.05511	2.6
81.03428	2.6
81.07050	8.2
85.02889	2.7
93.07014	4.1
97.02842	2.8
98.97627	2.3
107.04926	2.4
110.71658	2.4
111.64994	2.1
116.98596	3.0
119.08549	3.5
122.59484	2.4
133.10165	2.2
141.35907	2.2
203.84210	2.1
213.05722	2.1
237.10918	2.4
285.09900	2.9
340.23849	2.3
363.20901	2.4
365.19330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31707	1.8
55.01869	2.6
55.05506	4.9
56.96556	10.5
57.03426	4.9
67.05495	13.3
69.03411	2.8
69.07068	5.4
77.71631	2.2
79.05489	11.7
81.03415	3.0
81.07038	9.0
84.38461	2.2
85.02899	2.4
91.05471	10.5
92.09315	3.9
93.07011	3.7
95.04972	9.5
95.08591	3.3
97.06517	3.4
98.97576	4.3
105.07038	4.3
107.08574	3.2
113.05981	2.9
119.08595	5.4
131.08519	3.5
133.10127	3.2
143.08549	2.9
163.03906	3.5
175.27399	2.1
287.11221	2.7
291.19595	5.4
365.19281	100.0
365.22949	7.1
367.39047	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01870	1.0
57.03429	1.9
59.05029	1.0
67.05473	1.1
68.59209	0.8
69.03412	6.8
69.59859	1.0
71.05000	1.1
71.50181	1.0
73.02870	1.2
76.45004	1.1
79.05497	1.6
80.05015	1.5
81.03399	26.1
81.07033	2.6
82.03741	7.1
85.02884	14.7
86.03240	1.0
87.00806	4.4
91.05468	1.5
92.09337	2.1
93.07013	2.5
97.02876	7.4
97.06548	1.4
98.97546	1.4
99.04457	1.4
105.01881	1.8
105.07043	1.7
107.08562	2.5
109.02894	1.6
109.06512	1.4
113.26987	1.0
119.04899	1.2
121.10109	2.2
123.04426	5.3
124.04794	1.4
124.07555	2.1
127.03911	5.1
130.06476	2.0
145.04973	1.5
148.07556	1.7
149.09618	1.9
153.05388	1.5
162.50858	1.1
163.03928	1.5
167.10722	1.2
169.52144	1.1
170.96446	1.2
176.07042	4.8
185.04196	1.5
185.11647	1.8
203.03162	1.7
218.30299	1.3
294.14883	1.2
365.08179	23.6
365.12006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.5
67.05502	1.5
68.56684	1.4
73.04649	1.8
79.05488	2.1
81.07040	2.2
91.05455	2.3
95.08610	1.7
97.91888	1.9
105.06985	1.9
107.08615	2.6
133.10112	2.0
147.04343	1.7
163.03926	3.4
165.05226	1.9
269.76639	1.8
364.24817	2.2
365.19290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98929	1.1
64.24177	1.1
69.13290	1.0
73.90044	1.2
78.32430	1.1
92.09353	1.4
132.38440	1.5
149.18535	1.2
159.16020	1.2
161.31267	1.2
166.89038	1.2
185.04187	19.5
203.03333	1.9
203.05238	53.6
209.04845	1.3
243.00291	1.4
365.10489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.113
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
51.69313	0.3
54.81621	0.4
66.41836	0.4
68.05012	0.4
69.03394	0.4
80.04990	0.5
88.82616	0.4
91.05454	2.1
97.02908	0.5
100.15884	0.4
108.04462	5.4
115.05434	1.7
117.06970	2.0
118.06522	33.6
119.04906	0.7
122.05988	0.6
123.55418	0.4
125.02383	0.5
130.06482	6.3
132.08031	0.7
141.66083	0.4
142.06485	4.2
143.07300	3.3
144.08075	14.8
146.05995	57.1
147.04393	1.8
149.02316	0.5
159.09132	0.6
160.07567	0.7
163.03879	2.9
170.05963	5.6
174.05495	2.2
178.04962	100.0
181.07625	0.6
188.07039	15.1
190.04991	7.0
192.06473	3.0
204.08220	0.4
218.04436	0.6
234.03995	1.8
236.05453	4.2
245.08975	0.5
292.09708	0.6
301.09875	0.5
305.11221	0.7
319.10742	11.9
365.11240	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21238	2.3
55.01842	4.3
55.05486	4.1
57.03425	51.8
61.02909	4.4
67.05503	5.0
69.03423	4.1
69.07037	5.0
71.04974	5.8
79.05472	24.9
81.03412	3.0
81.07029	4.6
83.04982	5.0
85.02901	27.6
91.05460	3.5
93.07020	45.2
95.04933	17.8
95.08580	4.4
97.02863	4.8
97.06490	16.5
105.07041	22.5
107.08582	81.4
111.08064	4.1
113.06018	5.3
115.03941	2.9
120.08123	3.3
121.10125	49.1
123.04305	3.1
123.50050	3.3
125.09613	3.9
131.08568	6.8
139.11160	21.1
149.09615	81.5
161.05969	3.3
167.10658	100.0
185.11700	67.6
215.06998	4.1
222.57590	3.1
226.85112	3.0
259.09576	3.8
304.73425	3.1
314.12088	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	365.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	42.8
57.03432	12.2
65.95215	5.8
69.03404	11.4
71.04969	12.5
71.61845	6.1
75.50920	5.9
79.05474	27.6
81.03365	9.2
81.07018	13.7
84.96032	9.5
85.02882	15.6
85.06525	6.8
92.09301	13.1
92.63520	6.6
93.07037	27.6
95.04966	15.5
97.02852	13.4
98.97552	56.9
105.07016	15.5
107.08572	45.6
110.97586	8.0
116.98621	32.3
121.10137	32.1
122.59366	6.6
123.04446	12.8
128.98604	16.7
130.06473	11.5
134.99646	11.7
137.05977	11.7
139.03915	12.6
139.11302	7.1
146.99649	26.0
147.04422	9.3
149.09601	16.9
163.03880	8.6
167.10666	36.3
180.06532	8.8
185.11705	14.9
187.33047	6.7
190.81700	7.6
192.96391	7.3
213.04376	33.1
219.01692	7.7
237.02788	30.4
239.02165	40.0
257.03317	28.2
347.12384	14.5
365.05414	100.0
365.14178	7.9
373.23038	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.01873	5.8
55.05503	3.6
57.03169	4.6
57.03430	69.3
59.71478	2.7
60.00824	2.1
67.05482	3.9
69.03413	10.1
69.07053	9.9
71.04977	5.5
78.14158	2.9
79.05476	35.7
81.03377	2.8
81.07042	13.7
83.04966	4.2
85.02900	24.2
85.06512	3.0
90.25619	2.4
91.05460	4.7
93.07028	49.2
95.04942	21.2
97.02892	10.8
97.06514	5.7
99.04430	3.6
100.49164	2.6
104.10201	2.8
105.07013	30.4
107.08584	84.1
109.06488	4.1
111.08073	4.0
113.05993	5.5
121.06540	2.5
121.10133	56.0
123.08009	4.4
125.09624	3.8
131.08557	14.9
139.11145	22.4
149.09607	91.4
149.13220	3.5
150.75481	2.4
161.05946	4.8
167.10638	100.0
185.11694	95.5
189.09056	4.7
215.06982	3.4
255.05312	2.7
259.09744	3.5
373.25998	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01858	1.0
57.03431	0.5
61.02901	1.3
65.23297	0.2
69.03414	2.9
72.29871	0.2
73.02895	0.5
74.06078	0.3
78.75661	0.2
79.05473	0.5
81.03398	1.6
84.04501	0.3
85.02887	7.1
86.09716	0.3
87.32894	0.2
91.05462	2.6
93.07024	3.5
95.04923	1.3
97.02861	2.0
98.97543	0.3
99.04420	0.5
100.69061	0.2
101.77355	0.3
103.05447	5.6
107.04939	100.0
109.02855	0.4
116.98615	0.4
121.06483	20.0
123.04407	0.3
127.03883	1.6
131.04922	1.0
145.04976	1.1
147.04395	0.3
148.06700	0.3
149.05959	36.1
152.05611	0.5
167.06995	7.9
179.02348	0.2
281.10211	1.3
346.34189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05502	1.7
57.03427	6.0
59.05006	1.0
61.02922	1.4
67.05487	6.5
69.03416	6.7
69.07060	1.5
71.04984	1.2
72.08141	2.6
74.57832	1.0
74.73806	1.0
75.04472	9.6
79.05475	11.8
81.03421	2.1
81.07041	14.2
83.04966	2.3
85.02895	15.2
85.06516	2.4
87.04451	1.9
91.05455	9.4
93.07024	100.0
95.04951	7.2
95.08595	8.5
97.02883	5.0
97.06506	6.6
99.04423	2.1
103.05447	1.8
105.07002	8.2
107.08579	14.2
109.02887	1.5
109.10139	16.3
111.04429	1.9
111.08067	11.8
113.05966	8.3
119.08569	2.3
121.06503	11.0
121.10123	90.4
123.08072	2.4
123.11703	6.2
125.05979	5.7
127.03865	2.2
131.08571	5.6
137.05971	1.8
137.09601	2.1
139.11137	12.9
145.04919	1.9
146.06023	2.5
149.09648	14.3
155.10666	7.2
167.10643	25.8
178.05002	5.1
185.11707	1.6
262.48611	1.5
311.05603	1.2
365.11359	1.2
370.89639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05502	1.7
57.03427	6.0
59.05006	1.0
61.02922	1.4
67.05487	6.5
69.03416	6.7
69.07060	1.5
71.04984	1.2
72.08141	2.6
74.57832	1.0
74.73806	1.0
75.04472	9.6
79.05475	11.8
81.03421	2.1
81.07041	14.2
83.04966	2.3
85.02895	15.2
85.06516	2.4
87.04451	1.9
91.05455	9.4
93.07024	100.0
95.04951	7.2
95.08595	8.5
97.02883	5.0
97.06506	6.6
99.04423	2.1
103.05447	1.8
105.07002	8.2
107.08579	14.2
109.02887	1.5
109.10139	16.3
111.04429	1.9
111.08067	11.8
113.05966	8.3
119.08569	2.3
121.06503	11.0
121.10123	90.4
123.08072	2.4
123.11703	6.2
125.05979	5.7
127.03865	2.2
131.08571	5.6
137.05971	1.8
137.09601	2.1
139.11137	12.9
145.04919	1.9
146.06023	2.5
149.09648	14.3
155.10666	7.2
167.10643	25.8
178.05002	5.1
185.11707	1.6
262.48611	1.5
311.05603	1.2
365.11359	1.2
370.89639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01865	0.8
55.05485	0.8
57.03421	2.6
57.07071	0.9
57.55942	0.5
59.04987	3.1
61.02914	0.9
67.05489	3.4
69.03429	4.2
69.07034	2.1
70.70196	0.6
73.02897	0.8
75.04465	0.9
79.05480	17.6
81.03416	0.9
81.07043	28.8
83.04965	1.0
85.02895	11.2
91.03951	0.6
91.05454	6.2
93.07025	37.6
95.04949	1.1
95.08594	16.8
97.02879	3.3
97.06518	3.9
100.36009	0.7
105.07008	11.7
107.04951	1.2
107.08584	26.3
109.02858	0.8
109.06518	1.1
109.10172	0.6
111.04415	0.7
111.08084	4.3
119.08547	2.1
120.08107	0.6
121.06501	2.3
121.10130	100.0
123.08054	3.5
123.11687	18.3
125.05967	6.1
125.09598	1.0
127.03878	0.9
131.08554	2.3
133.07666	1.2
133.10074	0.8
139.11163	13.2
145.04900	1.0
149.09644	9.1
167.10643	28.9
185.11717	1.4
208.22203	0.6
217.79140	0.6
271.09485	0.7
345.74530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03949	14.7
53.52766	1.3
55.01868	19.6
55.05527	1.7
57.03440	3.9
61.02927	3.4
65.03959	3.2
67.05495	16.1
68.99806	1.7
69.03416	56.4
69.03754	2.5
71.05003	1.7
77.03926	1.6
79.05478	98.3
81.03420	13.2
81.07065	3.7
85.02894	53.1
85.03359	2.5
91.05468	82.3
93.03407	7.0
93.07028	100.0
95.04949	42.3
95.08585	15.3
97.02865	17.8
97.06530	2.0
98.97581	3.6
99.04462	3.5
103.05453	49.5
103.06091	2.4
105.03344	12.3
105.04523	4.0
105.07008	38.2
105.07625	3.0
106.99265	1.7
107.04940	69.0
107.05611	3.0
109.02898	3.3
109.06492	1.9
113.06066	2.2
115.03944	2.7
119.04927	43.0
119.05698	2.3
121.06484	59.3
121.07304	2.9
123.04443	9.8
123.08047	6.3
125.02375	2.4
127.03929	7.9
131.04907	15.4
135.04335	1.8
137.02394	7.4
137.05946	22.9
139.07605	2.0
141.05386	2.2
145.04996	6.8
146.47551	1.7
147.04410	21.2
148.04707	1.7
149.05960	56.0
149.07069	2.6
167.07005	84.3
219.04796	12.1
250.18089	1.7
259.04800	1.7
263.60321	1.8
365.08337	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
54.10017	1.4
55.01863	15.0
57.03414	2.7
61.02935	6.0
67.05487	9.3
69.03416	40.8
73.02885	2.6
75.74490	1.8
79.05473	96.1
80.42252	1.6
81.03398	12.5
81.07031	3.8
85.02894	53.4
89.03887	3.3
91.05464	71.8
93.03360	8.2
93.07024	100.0
95.04944	37.4
95.08588	13.5
97.02836	17.1
97.06515	3.1
98.97582	2.2
99.04379	2.7
103.05450	46.5
105.03364	10.1
105.04465	4.4
105.07006	29.6
107.04208	2.8
107.04938	75.2
109.02869	7.9
109.06483	3.8
111.04444	2.5
116.07072	7.7
119.04915	51.1
121.06482	57.0
123.04442	3.0
123.08035	7.6
125.02338	2.8
125.05988	2.2
126.03127	4.4
127.03895	10.5
131.04855	15.8
135.04396	4.3
137.02330	11.3
137.05962	25.6
139.03867	3.4
140.07014	2.8
141.05440	3.1
145.02867	2.4
145.04933	4.3
147.04376	11.9
149.05962	54.4
163.03860	12.8
167.07007	91.1
185.04413	8.6
185.07921	2.0
219.04645	3.0
237.02620	2.9
365.08487	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	363.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
55.01866	0.8
57.03447	2.7
61.02906	3.3
67.05489	19.3
67.57787	0.7
69.03416	6.1
69.33175	0.7
71.04970	1.2
73.02900	1.3
81.03404	1.7
81.07029	4.0
85.02895	17.6
86.03217	0.9
91.03926	1.2
91.05431	0.9
95.04947	10.6
95.08562	1.1
97.02869	8.0
98.97578	1.3
99.04413	1.0
111.04517	0.9
120.04420	1.0
123.08088	1.3
123.30462	0.8
127.03907	1.4
127.07497	1.0
137.05978	4.7
138.05476	100.0
145.04959	1.5
149.01089	0.8
163.03870	1.2
166.04965	92.9
180.08691	1.4
183.13809	1.1
184.06013	23.9
201.01660	1.2
329.36365	0.9
363.06870	3.2
363.16220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03945	1.1
55.05500	1.0
56.96569	0.6
65.03925	1.3
67.01856	0.6
67.05502	1.3
68.99775	1.3
72.42406	0.6
77.12402	0.6
79.01847	1.2
79.05491	1.4
81.03384	1.1
81.07040	2.6
83.04986	1.4
84.83096	0.6
89.03918	1.1
91.05483	4.0
92.08660	1.7
93.03367	1.0
94.04178	1.2
95.01342	1.4
95.04949	9.7
95.08599	1.0
96.02113	0.8
99.04475	2.8
103.49738	0.8
105.03400	3.6
107.01318	1.0
107.04980	1.6
109.06514	2.6
111.04440	39.5
117.03358	1.5
118.04156	1.3
121.06465	0.8
122.03633	7.9
123.04428	3.2
125.02361	3.6
127.03924	13.9
133.02824	8.5
134.03703	5.4
135.04472	3.3
136.55669	0.7
137.02328	5.9
137.05966	100.0
137.50880	0.7
138.03178	0.6
139.03894	38.0
140.04646	0.8
141.07019	1.1
145.02797	0.8
147.04434	1.3
149.02332	6.5
149.05945	6.9
150.03148	0.8
151.03905	3.5
152.04660	3.7
155.03400	13.8
155.04808	2.5
161.02339	1.1
163.03905	3.7
164.04633	5.8
165.01840	4.0
165.05447	0.7
167.01968	1.5
167.03380	42.5
167.07011	11.4
169.06445	1.5
175.03891	1.1
177.05472	6.8
180.04149	10.3
183.04427	1.5
184.05223	1.6
186.06775	0.7
187.07469	0.9
191.03400	1.2
193.05022	4.5
195.06534	3.3
197.06017	3.8
200.04703	4.0
201.05498	1.6
210.03181	0.8
211.03862	3.9
211.05981	3.7
214.06256	1.4
215.07063	3.8
225.05548	3.8
227.03491	2.2
228.04166	3.6
229.05031	1.3
229.08629	1.6
239.03436	1.2
239.05473	1.0
242.05777	4.5
243.06473	26.1
250.13507	0.7
253.04912	8.0
255.03139	1.0
256.03671	0.9
257.04355	3.0
257.08154	4.6
270.05273	1.4
271.05969	38.3
272.06683	8.9
275.09076	1.5
285.07635	6.6
299.05423	1.0
299.09265	0.8
303.08603	16.9
313.06940	6.6
331.08078	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1074
Annotation	Methyl asterrate
Peak:m/z	Relative Intensity
51.37638	0.4
51.73555	0.4
53.03931	1.3
55.01845	0.6
55.05503	1.3
62.69362	0.5
67.01847	1.3
67.05488	2.2
68.99787	1.1
69.03423	1.0
69.53240	0.5
71.28559	0.5
72.49107	0.5
73.86022	0.5
79.01833	1.0
79.05487	2.4
81.03399	0.7
81.07037	2.9
83.04977	1.0
89.03860	0.7
91.05469	3.6
93.03410	0.8
94.04171	2.3
95.01292	0.9
95.04951	8.4
99.04437	0.9
105.03387	2.7
107.04947	2.8
109.02887	1.4
109.06506	2.3
111.04432	28.3
117.03363	1.3
121.06423	0.6
122.03637	8.9
122.79852	0.5
123.04420	3.2
125.02363	2.4
127.03897	16.5
128.06221	0.8
133.02840	7.1
134.03630	5.9
135.04399	8.3
137.02344	4.8
137.05960	100.0
138.03117	1.2
139.03888	26.5
141.07037	0.7
145.02875	1.1
147.04407	1.1
148.05156	1.1
149.02336	5.1
149.05966	5.8
151.03906	2.5
152.04640	2.3
155.03391	15.5
155.04724	1.2
161.02374	0.6
163.03879	5.9
164.04649	4.0
165.01788	3.1
165.05428	0.8
167.03369	32.5
167.07014	7.4
169.06401	0.6
177.05418	9.2
178.02573	0.7
179.03415	1.2
180.04150	10.1
183.04475	1.1
184.05243	2.2
185.05994	0.6
187.07426	1.0
191.03354	4.7
193.05006	3.2
195.06540	1.3
197.04364	1.0
197.05988	1.1
198.04843	0.7
200.04755	2.0
208.07384	0.9
211.03978	0.8
211.05997	1.3
214.06381	1.9
215.07047	2.5
221.04526	0.6
225.05460	0.8
227.06886	0.7
228.04221	2.8
229.04884	0.9
239.05244	1.9
242.05727	2.4
243.06483	22.0
243.08994	0.7
253.04881	3.6
257.04379	1.2
257.08078	1.3
259.05795	1.0
260.06693	0.7
270.05243	1.2
271.05957	33.6
272.06790	8.5
275.09116	1.4
275.19937	1.0
281.04437	1.1
285.07465	3.5
288.06265	0.8
299.05551	1.1
303.08582	17.8
313.06921	3.6
331.08060	55.9
363.10663	2.3
376.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1074
Annotation	Methyl asterrate
Peak:m/z	Relative Intensity
50.00745	0.4
53.03934	2.6
55.01860	0.6
57.03402	0.7
60.05220	0.5
62.38743	0.5
65.03912	1.1
67.05497	0.7
68.99779	1.0
70.65234	0.4
76.56266	0.6
78.98831	0.5
79.01801	0.9
79.05469	2.5
79.97189	0.5
81.07034	1.0
84.11889	0.5
85.02897	0.5
85.74847	0.5
89.03900	0.8
91.05463	3.2
93.07032	0.9
94.04156	2.6
95.01305	1.1
95.04948	8.6
95.08577	0.6
96.02073	0.8
96.41700	0.6
99.04423	2.1
105.03377	3.6
105.04498	0.6
107.01335	0.7
107.04942	2.1
109.02908	0.8
109.06512	2.7
111.04435	38.0
115.05452	0.5
117.03362	1.3
118.04119	1.3
119.04951	0.9
121.02891	0.6
121.06483	0.7
122.03639	7.2
123.00748	1.0
123.04420	4.1
125.02315	3.7
127.03911	11.1
128.06221	0.8
131.98082	0.6
132.02090	0.6
133.02840	8.5
134.03616	6.0
135.04407	4.2
137.02342	6.1
137.05965	100.0
138.03130	1.2
139.03888	30.7
140.04692	0.6
141.06985	0.9
144.05630	0.6
145.02837	2.1
145.06534	0.7
147.04431	0.9
148.05182	1.3
149.02324	4.6
149.05943	6.8
151.03902	2.9
152.04651	3.7
155.03384	13.3
155.04903	2.5
156.05725	0.9
159.04308	0.7
161.02295	0.8
163.03899	4.5
164.04631	5.8
164.54167	0.5
165.01804	3.3
165.05540	0.7
165.06989	1.0
167.03384	37.6
167.07016	12.0
168.59879	0.5
169.06424	2.2
175.03883	1.9
177.05461	7.4
179.03326	1.0
180.04173	12.4
183.04434	1.2
184.05142	2.4
187.07526	2.0
191.03358	2.6
193.04955	3.2
195.06490	3.7
195.49797	0.6
197.05960	2.7
198.06631	0.6
199.07574	0.6
200.04738	2.9
201.05498	3.7
210.03050	0.6
211.03862	2.4
211.05998	3.0
213.05406	0.8
214.06197	1.0
215.06967	2.3
216.11604	0.4
223.06032	0.8
225.05423	2.3
227.03375	2.2
227.07008	0.9
228.04117	3.0
229.04985	1.1
229.08528	0.9
239.03326	1.2
239.05501	2.8
240.04088	0.6
242.05623	4.6
243.06496	24.2
245.04495	0.6
253.04964	5.8
255.03128	0.7
256.03809	1.9
257.04382	3.2
257.07990	4.3
259.05930	0.8
267.06415	0.7
270.05316	2.0
271.05969	34.3
272.06738	7.9
275.09073	3.4
281.04330	1.3
285.07574	5.3
286.08408	3.8
299.05704	1.9
303.08603	15.1
313.07092	5.3
316.05841	2.7
331.08084	75.6
359.35205	0.6
363.10718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.9
56.05022	7.4
57.07071	8.3
58.06588	10.3
60.04492	2.9
63.15387	0.6
67.05470	1.1
69.07047	1.3
69.40273	0.9
70.06567	1.1
71.08591	3.4
71.16372	0.8
72.08131	5.5
74.06068	9.3
80.37852	0.8
81.07014	1.2
83.08575	1.2
85.10119	1.6
86.06039	7.2
88.07613	68.9
95.08574	3.7
97.10133	1.0
104.07077	5.2
108.89001	0.8
109.10100	1.1
132.10176	19.9
134.78595	0.9
162.11217	4.8
166.10699	3.8
270.27847	50.4
284.22513	1.0
300.29120	0.8
314.30487	15.0
327.25366	1.1
344.31555	1.9
362.32559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.96553	9.0
57.03413	4.6
57.07069	1.6
61.02903	4.6
67.05488	3.3
69.03411	12.8
71.04972	1.4
73.02897	1.3
77.64429	0.7
79.15262	0.9
81.03421	5.3
84.96011	3.1
85.02891	43.6
85.06527	56.2
87.04443	1.1
91.03951	1.4
91.05440	1.0
97.02872	19.9
98.97562	81.0
98.98438	100.0
99.04424	1.7
103.07471	0.8
109.02846	4.0
110.97536	4.6
111.55672	0.9
115.03911	1.2
116.98608	43.6
116.99461	5.6
123.04362	1.0
127.03896	12.7
128.98593	6.6
130.08658	0.8
134.99626	15.8
145.04926	11.8
146.99629	4.2
147.04384	8.0
148.04729	3.9
149.20883	0.8
153.00725	1.4
158.99637	24.6
159.03304	1.2
161.01239	1.0
163.06038	3.7
170.99655	0.8
173.01218	1.0
177.00670	37.3
177.04427	1.1
189.00629	3.2
189.06081	0.7
195.01736	5.4
201.00642	1.2
201.04274	1.2
203.82285	0.7
219.01740	16.4
229.10576	1.4
237.02780	10.6
243.05190	0.8
261.03586	1.8
281.06311	1.3
303.07339	9.5
313.08948	5.4
321.08511	12.6
331.09714	1.2
339.09491	1.4
363.09076	8.1
363.13324	1.3
381.10559	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03926	0.4
54.81078	0.3
55.01858	1.0
55.05510	2.4
57.03424	1.3
61.02909	2.2
69.03416	2.6
71.04998	0.5
73.02898	0.5
79.05457	0.7
81.03392	1.5
81.07034	0.3
85.02889	10.9
87.04469	0.6
91.05479	0.6
93.07031	3.4
95.08586	1.5
97.02874	3.0
99.04430	0.5
102.75108	0.3
105.07011	2.6
109.02851	1.1
109.10183	0.4
119.08540	2.6
121.10116	0.4
122.38624	0.3
123.04409	100.0
127.03893	1.5
129.07005	0.3
132.95828	0.4
133.06454	3.5
137.02299	0.6
137.05956	8.7
137.09596	1.6
139.11136	0.3
145.04941	1.3
147.08052	2.3
151.03908	2.1
163.03868	0.9
164.04074	0.3
165.09079	22.1
169.04880	0.5
171.11664	0.3
174.96849	0.4
181.04955	0.3
183.10144	6.4
186.49107	0.3
257.81403	0.3
265.46899	0.3
278.47211	0.3
378.21030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90295	0.4
51.12248	0.4
53.43359	0.4
55.05499	0.5
55.38268	0.4
56.05016	0.6
57.06816	0.5
57.07073	9.5
57.67221	0.4
58.02659	0.4
58.06581	1.0
68.05013	0.5
70.06200	0.9
70.06578	22.7
71.08611	4.1
72.08099	0.6
73.98365	0.5
75.84132	0.4
79.05485	0.8
84.08131	2.8
85.10160	1.0
85.85548	0.4
86.06040	0.5
86.09701	0.6
88.07615	22.0
89.06010	0.5
100.07655	0.5
102.09163	3.2
105.07038	0.7
110.05729	0.4
114.09158	14.5
118.08658	2.4
130.08575	0.5
131.08598	0.5
132.10187	37.5
176.12778	6.4
194.13866	7.4
242.24797	1.1
250.67700	0.5
256.26334	7.6
274.27289	3.5
318.30051	4.0
362.32593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01861	1.6
57.03415	2.8
61.02908	5.8
69.03412	10.2
69.07040	0.8
73.02895	1.3
79.05463	1.4
81.03394	4.0
85.02890	34.2
87.04491	1.1
91.03925	0.8
91.05461	1.0
93.06988	1.0
97.02870	12.4
99.04423	1.0
105.07014	21.9
109.02866	4.1
115.87725	0.8
116.98578	0.9
119.04864	0.7
122.03612	1.1
123.04401	25.3
127.03845	5.2
129.06981	0.8
133.06461	30.7
137.05954	100.0
145.04922	6.4
147.04411	1.1
151.07462	0.8
159.79805	0.6
165.05438	11.7
165.09073	25.6
180.08604	1.5
183.06557	3.6
183.10117	17.1
241.70602	0.8
250.75919	0.9
327.09061	1.0
338.80179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.12396	0.3
57.31789	0.3
58.74012	0.3
61.02905	0.6
69.03403	1.7
71.51717	0.4
75.56395	0.3
79.05473	3.6
81.03408	0.5
81.07048	0.6
84.84581	0.3
85.01120	0.5
85.02895	4.3
91.05456	1.7
93.07034	0.5
95.04935	0.8
97.02857	1.7
101.00568	0.5
103.05432	1.9
105.07017	42.0
107.04930	0.6
109.02877	0.4
109.06493	2.1
111.04439	0.4
117.03185	0.4
119.04897	0.5
119.08514	0.5
123.04382	1.3
124.05196	1.3
132.95828	1.4
133.06471	43.1
133.10042	0.4
134.60434	0.4
134.99593	0.3
135.04424	0.5
135.08061	0.5
137.05960	54.1
143.08545	0.8
147.04422	0.5
147.08063	0.6
150.06735	1.4
150.96835	0.5
163.03877	0.6
163.07405	0.5
164.09593	0.3
165.09084	100.0
166.09377	0.4
174.96838	1.3
176.08972	0.4
183.10283	0.4
207.10167	0.6
281.08420	0.5
310.85941	0.4
327.08871	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	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54999	0.3
53.03940	0.8
55.01866	0.7
57.03427	1.3
57.26412	0.3
61.02913	1.3
69.03417	6.8
71.01315	0.3
71.04984	0.4
73.02879	0.7
74.63128	0.4
81.03414	3.5
85.02892	11.4
86.06052	0.7
87.04458	0.7
89.03922	0.6
90.04220	0.6
91.05460	6.1
95.04934	2.1
96.04468	1.8
97.02868	8.6
98.97554	0.3
99.04438	1.6
101.02348	0.7
107.04933	1.7
109.02844	1.9
111.04415	0.3
111.71271	0.3
117.03366	1.4
118.03703	0.6
119.04922	19.4
121.06494	0.4
123.04407	16.8
127.03871	3.9
135.04391	2.4
136.04724	2.2
136.07465	0.6
137.05942	2.0
138.05290	0.4
145.02838	1.4
145.04936	2.4
146.03221	1.3
147.04390	100.0
163.03909	5.7
164.04230	4.8
165.04353	2.1
165.05585	3.9
166.04652	1.8
181.84848	0.3
182.08128	2.7
200.09189	1.6
285.09592	3.6
291.08456	0.4
309.09616	8.7
327.10672	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	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93439	0.5
53.03930	1.2
55.01850	1.1
57.03424	3.1
60.82741	0.5
61.02921	6.3
62.05270	0.5
64.27869	0.6
69.03413	10.2
71.04973	1.2
73.02876	0.9
81.03404	6.6
85.02890	45.4
87.04459	1.1
91.03927	3.2
97.02872	13.2
99.04464	2.1
103.05431	4.3
104.05798	1.0
109.02888	2.7
123.04406	100.0
127.03883	7.0
131.04890	5.8
132.05269	4.6
133.05557	0.7
137.05923	6.0
145.04939	7.2
163.06079	1.1
164.07829	1.0
165.05441	41.4
180.08644	3.8
183.06468	9.8
189.05545	0.8
200.09050	0.9
305.87598	0.7
336.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
54.81232	1.0
55.01867	1.0
57.03425	1.6
57.81818	0.7
61.02914	7.0
69.03417	10.0
73.02892	1.3
81.03397	4.4
85.02887	43.2
87.04448	1.5
91.03925	1.6
92.08654	1.6
93.83505	0.8
97.02862	12.7
98.97575	0.8
99.04454	1.6
103.05453	2.0
104.05739	0.9
109.02853	3.2
110.64193	0.8
111.46265	0.8
123.04403	100.0
127.03893	7.7
131.04901	5.1
132.05260	5.4
137.05969	4.4
145.04971	6.5
165.05444	34.9
165.09106	9.9
180.08655	1.8
183.06491	8.3
200.09145	1.2
204.87804	0.9
303.30151	0.9
323.62021	0.9
362.14487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30140	1.0
53.00291	1.0
53.02716	0.9
53.03938	5.1
53.43232	0.7
53.65048	0.7
54.81766	1.1
55.01867	4.5
55.05502	2.1
56.96546	1.3
57.03441	8.3
57.03660	0.8
59.04986	6.8
61.02912	8.8
61.93106	1.0
63.90012	1.1
65.03931	26.6
67.05493	0.9
69.03064	2.0
69.03418	42.6
71.04973	15.5
73.02905	4.2
74.06073	1.8
75.04481	7.9
81.03405	16.6
83.01334	1.7
85.02897	79.5
85.06542	1.3
86.09649	1.2
87.04469	16.7
91.05458	1.2
93.03388	22.7
95.04957	2.5
97.02879	56.2
98.98435	4.6
99.04443	56.5
103.05453	4.5
104.05793	2.6
105.07047	1.2
105.11118	1.1
107.04922	1.2
107.58599	1.0
109.02850	8.5
110.03702	8.6
111.04436	100.0
113.05981	5.1
116.98587	1.8
119.08560	1.6
123.04440	1.8
125.05983	50.0
127.01508	1.2
127.03893	25.3
129.05438	2.1
131.04904	12.8
132.05257	9.3
134.99614	1.4
135.04396	1.3
136.01608	1.0
137.06017	1.1
141.05441	9.4
145.04962	7.0
147.04422	1.4
151.03900	49.2
151.05000	2.6
152.04234	1.8
159.06526	14.5
163.03827	8.0
164.04219	2.1
165.04298	1.5
165.09061	1.5
169.04936	88.5
177.07617	6.0
190.83629	1.0
194.10242	6.1
199.38918	1.0
203.01881	1.3
248.00005	1.9
306.51212	1.1
352.93579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70071	0.6
53.03938	1.3
55.01868	1.4
55.05507	1.3
55.13362	0.6
55.55457	0.6
56.02644	1.6
56.96552	1.1
57.03437	0.9
62.35985	0.7
67.05494	1.4
68.75468	0.8
69.03418	11.1
79.05484	4.7
81.03397	1.8
81.07052	2.0
83.04965	1.0
83.08617	1.0
85.02926	3.6
91.05460	1.6
95.01312	11.7
95.04938	1.7
95.08598	1.4
96.89045	0.8
97.06516	1.4
105.07017	1.2
107.04955	3.8
107.08607	1.5
109.02888	5.9
109.10153	1.8
109.94830	0.7
110.03631	1.6
119.05002	0.8
119.08597	1.1
121.02873	1.1
125.02332	3.8
125.05946	1.1
127.03941	1.4
133.10161	1.0
135.04420	3.5
137.05931	1.0
138.03096	33.2
145.10103	0.8
147.04428	1.4
149.02309	1.0
151.03865	6.4
151.07492	0.8
152.04672	15.1
160.05180	0.9
163.03880	1.9
164.04674	1.5
166.00636	0.8
167.07011	54.4
181.67613	0.8
182.02075	67.8
185.05971	1.4
195.04933	0.9
195.06418	5.6
197.04422	100.0
202.06229	1.4
213.05424	3.3
215.03415	1.1
230.05736	3.0
241.04942	1.0
243.02934	1.5
257.04416	1.3
258.05194	9.2
259.05951	34.8
262.08725	0.8
273.07550	17.3
287.05435	22.5
301.06985	11.8
302.07822	6.9
305.82956	0.8
315.08560	0.9
361.09155	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	3.5
53.03942	4.2
55.01857	9.2
55.05505	39.9
56.96555	2.4
57.03419	9.9
58.38572	2.1
61.02895	2.3
63.38938	2.8
67.05494	65.2
69.03426	20.0
69.07063	34.3
71.04611	4.4
71.04980	100.0
73.02911	3.1
77.31499	2.4
79.05473	64.1
81.03388	9.4
81.06596	3.6
81.07046	58.9
82.01832	2.3
83.04971	10.0
83.08609	17.6
85.02896	29.5
85.06530	4.0
87.04465	2.3
91.05452	27.7
93.07032	46.1
95.04948	5.2
95.08586	32.7
97.02866	4.9
97.06510	11.0
97.10153	21.0
101.02357	3.9
105.07024	21.3
107.04921	5.9
107.08583	41.5
109.06493	5.4
109.10152	34.0
111.04383	2.6
116.22571	2.4
116.98615	2.9
117.06986	5.0
119.08563	21.5
121.06451	2.6
121.10123	17.0
123.08063	5.2
125.09610	13.0
127.03891	17.2
131.08537	8.9
133.10089	10.7
135.07994	4.5
135.11679	10.8
137.78748	2.2
145.04962	11.0
145.10126	5.3
147.11679	3.3
149.09572	3.2
153.01837	25.6
153.09160	4.2
153.12712	11.1
155.10635	2.8
159.11691	12.3
164.29865	2.7
171.11647	3.5
173.11682	27.6
189.11218	12.6
195.13747	2.9
227.16434	21.7
264.71411	2.5
275.19968	28.9
293.56403	2.7
309.57642	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89447	1.1
53.00292	2.1
53.03928	2.8
55.01858	7.0
55.05507	40.7
56.96552	2.3
57.03419	5.5
57.19001	1.4
59.04990	1.8
65.61117	1.1
65.68329	1.2
66.75602	1.1
67.05491	76.5
69.03409	9.2
69.07058	40.2
71.04977	100.0
73.02263	1.4
73.02870	1.8
73.06532	2.7
79.05475	57.5
81.03385	6.3
81.07042	70.9
82.98244	1.3
83.04953	7.4
83.08604	19.6
85.02882	9.0
85.06515	6.2
87.08060	1.7
91.05463	31.7
93.07024	62.1
94.49185	1.3
95.04949	13.4
95.08589	31.4
97.02854	2.2
97.06516	13.8
97.10148	31.8
98.46119	1.2
99.04447	1.9
104.17949	1.1
105.07014	29.2
107.04945	10.1
107.08578	48.9
109.02900	3.2
109.06493	6.9
109.10136	35.1
111.08044	3.1
117.06994	11.0
119.08542	18.7
121.06499	5.6
121.10129	21.4
123.08039	5.6
123.11674	2.3
125.09610	19.7
127.03874	2.0
129.06958	1.8
131.08556	11.9
133.10098	16.5
135.08098	5.5
135.11668	14.3
137.09576	2.6
143.08533	2.1
145.04884	1.7
145.10126	10.6
147.08069	2.1
147.11681	7.9
149.09601	11.6
149.13214	7.1
151.11125	1.8
153.01794	28.9
153.09052	1.8
153.12680	10.4
153.69312	1.5
154.02144	5.3
155.10626	7.6
157.10100	2.2
159.11636	9.1
161.13234	5.5
163.11139	2.8
165.09105	2.0
173.11708	24.2
173.13084	2.5
175.01674	1.3
177.12721	5.1
179.14354	1.8
189.11227	12.6
193.12148	2.4
195.13766	9.6
210.30888	1.5
213.14621	1.7
221.11731	2.7
227.16393	31.1
257.19006	2.0
275.17172	1.8
275.20050	33.7
307.22638	5.6
313.71823	1.7
316.86453	1.4
359.00989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18980	1.6
52.02807	1.8
53.00290	3.3
53.03936	8.6
55.01868	21.4
55.05258	3.5
55.05505	46.9
56.96541	2.2
57.03436	17.3
64.33388	1.7
67.05143	3.0
67.05497	84.7
68.99773	2.2
69.03417	23.4
69.07056	80.8
71.01338	29.7
71.04973	12.5
77.27720	1.8
79.05476	74.4
81.03409	28.1
81.07041	97.5
83.04967	30.2
83.08606	21.6
85.02898	32.1
85.06533	2.8
91.05462	50.5
93.07027	79.0
95.04954	29.5
95.08588	48.7
97.02889	16.9
97.06497	22.9
97.10148	10.5
99.04443	8.0
99.08073	13.2
105.07024	31.6
105.34157	2.0
107.04953	14.4
107.08571	46.8
109.02862	7.9
109.06503	17.3
109.10159	25.4
111.04420	9.7
111.08071	12.6
114.09279	1.9
115.05416	2.4
116.98635	1.8
117.06969	15.1
119.08569	28.9
121.06479	8.6
121.10123	55.6
123.04388	18.5
123.08054	16.0
125.09594	8.4
127.03896	16.3
129.06990	7.6
131.08549	22.0
133.10144	19.9
135.08061	12.4
135.11667	15.7
137.09601	3.4
139.07498	4.6
139.11179	8.2
141.09093	9.6
143.08559	4.7
145.04967	7.4
145.06349	2.3
145.10086	15.3
147.07979	7.3
147.11690	4.1
149.09613	20.1
151.11180	9.2
153.09108	13.0
157.10088	2.8
159.07829	2.4
161.09573	11.2
163.11183	8.9
165.09077	4.2
167.10643	11.7
173.09470	2.8
173.11728	10.9
175.11176	2.0
179.10713	2.2
181.12253	8.0
185.11711	3.7
191.10603	4.6
193.12212	100.0
209.11674	15.6
227.12766	3.3
261.18533	3.8
271.16949	11.6
279.19519	2.3
289.17926	45.8
289.21063	2.2
307.18973	25.1
325.20050	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	360.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
54.44360	1.7
55.01865	30.6
55.05502	43.3
57.03434	16.6
57.07065	1.9
65.03927	2.7
66.73950	1.5
67.05495	88.6
68.99783	2.4
69.03409	11.7
69.07053	93.9
71.01335	26.3
71.04984	10.6
71.10564	1.6
73.02916	2.6
79.05470	80.0
81.03400	22.6
81.07038	100.0
83.04969	34.9
83.08601	19.2
84.61578	1.6
85.02877	18.4
85.06533	4.2
91.05457	60.5
93.07020	80.9
95.04943	39.3
95.08591	39.4
97.02870	24.8
97.06503	29.3
97.10144	7.8
99.04435	3.1
99.08060	11.8
105.07013	38.0
107.04929	12.9
107.08579	47.4
109.02867	8.0
109.06483	16.1
109.10143	29.1
111.04442	11.9
111.08069	17.3
117.06999	18.5
119.08578	23.9
121.06455	8.8
121.10130	52.8
123.04436	11.3
123.08051	11.9
123.11699	3.5
123.69115	1.8
125.02251	2.0
125.09602	8.4
127.03898	9.6
128.06108	1.9
129.06996	8.8
131.08542	24.5
133.06479	3.6
133.10110	23.7
135.08026	16.1
135.11678	21.5
137.05933	2.1
137.09602	9.2
139.07539	7.3
139.11153	9.0
141.09061	7.2
143.08536	4.3
145.04999	7.3
145.06516	3.7
145.10057	15.8
147.08038	8.3
147.11671	4.0
149.09581	20.2
151.07422	2.6
151.11208	4.0
153.09085	18.7
155.08614	3.8
157.10161	2.7
159.08018	4.1
159.11781	2.0
161.09602	8.1
163.07491	2.6
163.11153	11.9
165.09125	2.9
167.10645	16.0
173.06018	2.9
173.09630	10.3
173.11720	11.0
175.11087	2.6
179.10626	7.6
181.12193	8.0
185.11697	3.0
191.10660	3.0
193.12227	74.8
193.13954	3.6
209.11700	14.1
212.85780	1.7
216.10156	15.3
219.10197	3.2
226.19759	1.8
227.12706	4.4
245.03369	1.8
261.11169	2.1
261.18527	6.9
270.14975	3.7
271.16858	8.5
279.19391	2.3
288.16077	2.2
289.17938	55.7
292.79044	1.8
298.17957	3.7
306.25558	1.8
307.18985	33.1
316.19046	8.9
325.20047	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.9
53.77375	5.0
54.31203	4.8
55.01865	44.6
55.05505	94.4
55.19780	4.8
56.96550	13.9
57.03430	49.6
64.12270	5.3
66.88206	5.3
67.05488	100.0
69.03408	44.6
69.07053	50.6
71.04960	9.1
73.02895	5.7
79.05474	75.9
81.03396	47.1
81.07035	65.3
83.04967	11.4
83.08619	43.2
85.02879	67.7
85.06543	12.9
91.05469	47.5
93.07023	53.8
95.04933	46.8
95.08593	56.8
97.02866	31.3
97.06529	13.6
97.10142	58.8
99.04429	9.5
101.02315	6.4
105.07004	37.5
107.04932	55.2
107.08561	52.6
109.06525	37.6
109.10159	13.3
111.08038	7.1
119.08560	31.4
121.06486	30.0
121.10133	11.0
123.08033	11.0
125.09592	44.8
127.03871	44.6
131.08536	14.2
133.10075	17.6
135.08052	22.7
135.11734	7.3
136.54231	6.3
137.09613	24.9
139.07515	29.8
145.04965	11.5
145.10071	9.5
147.04417	13.4
149.09531	7.2
153.01817	27.3
159.08055	24.9
161.09610	12.8
165.09145	10.1
189.11250	21.7
193.12181	7.0
226.01981	7.1
233.52893	11.6
235.02551	7.2
289.17923	45.4
300.93500	6.6
307.18985	26.6
313.15860	5.7
325.20258	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	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
53.91974	4.2
55.01873	30.9
55.05514	57.9
55.98900	3.9
56.34323	3.7
56.96565	5.4
57.03432	20.2
59.68696	3.6
67.05499	72.3
69.03420	26.3
69.07046	75.9
71.01332	10.7
71.04984	4.9
79.05479	70.7
81.03409	27.7
81.07045	100.0
83.04986	28.2
83.08605	19.1
85.02901	43.2
90.00002	4.5
91.05471	64.1
93.07021	70.6
95.04950	36.1
95.08586	57.4
97.02876	23.8
97.06519	26.6
97.10146	10.5
99.08096	6.2
101.95268	4.5
105.07029	38.2
107.04967	18.2
107.08559	39.7
109.02892	4.7
109.06525	20.1
109.10147	11.7
111.08113	7.6
117.07000	8.8
119.08583	30.1
121.06475	6.1
121.10139	59.8
123.04424	9.8
123.08055	10.8
125.09622	7.6
127.03953	24.3
129.07008	8.9
131.08569	29.7
133.10141	21.4
135.08060	7.7
135.11685	23.1
137.09587	6.0
139.11137	7.0
143.08603	6.3
145.04922	8.7
145.10052	6.7
147.08041	8.6
147.11665	8.2
149.09625	18.8
153.09053	9.0
159.08098	7.0
161.09584	9.2
163.11201	5.4
165.09242	5.8
167.10645	11.2
174.17255	4.8
179.70570	5.7
193.12337	19.5
205.65327	6.3
243.01799	27.7
271.02386	28.6
271.16806	8.8
289.17944	46.4
304.89017	4.7
307.18970	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1804
Annotation	Prometaphanine
Peak:m/z	Relative Intensity
53.03930	1.1
55.01859	2.2
55.05501	9.7
57.03423	1.8
61.02909	0.9
67.05185	1.3
67.05496	19.4
69.03399	4.2
69.07041	5.8
71.04948	0.8
79.05483	14.1
81.03394	1.6
81.07047	11.1
83.08613	2.1
85.02892	11.9
91.05464	12.5
92.08728	3.0
93.07025	9.8
95.04932	5.3
95.08583	8.6
97.02890	2.2
97.06513	1.0
97.10135	4.4
98.97592	1.1
104.35094	1.0
105.07008	9.7
107.04934	1.9
107.08601	6.6
107.69778	0.9
109.10140	6.5
112.00436	0.9
114.37791	0.9
115.05486	1.2
117.06995	5.2
119.08579	10.4
121.10074	1.7
123.08030	1.0
124.03942	1.8
125.09596	3.9
127.03913	7.0
129.06958	4.7
131.08553	19.9
133.10135	12.3
142.07635	1.1
143.08528	3.8
144.09303	1.2
145.04967	2.1
145.10127	4.2
146.05991	1.8
146.07211	1.6
147.08046	1.3
147.11626	1.3
149.09529	1.1
155.08473	1.1
157.10074	5.9
159.08069	6.9
159.10425	1.9
159.11671	7.0
161.09613	1.9
163.05998	1.2
169.10089	5.0
172.08765	3.4
173.11676	5.2
174.12721	1.9
181.10112	1.3
183.11623	1.2
187.07465	3.7
187.09772	1.3
187.11243	1.4
187.13277	1.8
192.09338	2.0
195.13838	1.6
198.09163	5.5
200.10580	1.2
202.12131	1.7
203.12834	1.8
207.11687	5.0
211.14891	1.1
214.08609	1.3
215.09358	6.5
216.10149	2.1
219.10419	2.1
224.14281	2.0
226.55605	1.0
230.11732	100.0
234.12659	3.8
235.11182	1.0
237.11333	1.6
242.08054	7.0
251.13132	1.3
252.13779	12.8
254.08078	2.1
255.09200	1.2
268.13278	1.1
270.14777	1.0
275.19971	2.3
284.16464	19.6
289.21494	1.2
296.12714	5.0
296.57990	1.0
316.19009	2.1
328.15323	5.8
360.17978	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01859	1.2
57.03415	1.0
57.20251	0.2
58.41275	0.3
60.34275	0.2
61.02907	2.3
61.03193	0.4
63.00468	0.3
64.33463	0.3
64.97275	0.2
69.03420	5.0
71.05000	0.2
73.02891	0.5
81.03391	1.6
85.02894	14.8
86.09675	0.3
91.03931	0.4
93.81169	0.3
97.02877	4.0
99.04439	1.0
103.05447	0.5
109.02870	1.2
115.03820	0.3
115.97043	0.3
117.07008	1.2
123.04411	100.0
127.03910	2.8
131.04929	1.3
133.81825	0.3
135.04434	0.6
135.08023	2.7
137.02390	0.3
137.05959	0.3
145.04962	1.8
145.06491	3.1
150.08946	0.2
163.03899	3.3
163.07515	19.8
169.53970	0.3
180.08723	0.6
181.04961	0.4
181.08574	6.2
182.06813	0.3
195.16438	0.2
198.11169	0.8
212.07780	0.5
226.17148	0.3
232.75418	0.3
240.07465	0.3
286.11041	0.3
302.79077	0.3
310.08093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68505	0.2
53.03940	0.4
53.93831	0.3
57.03428	0.8
61.02907	1.4
69.03424	3.2
72.17465	0.3
73.02887	0.5
75.15518	0.3
81.03413	1.4
81.84318	0.3
85.02892	10.6
85.18196	0.3
89.03896	1.3
91.05434	0.3
95.04972	0.6
97.02876	3.2
99.04451	0.4
103.05453	42.0
107.04946	0.6
109.02870	0.5
113.56289	0.3
117.03330	2.7
119.04946	0.3
127.03879	1.8
131.04909	100.0
132.05255	0.5
135.04413	7.4
137.03430	0.3
137.05980	0.7
145.02824	6.0
145.04944	0.8
163.03880	37.2
163.07510	18.9
164.04208	0.3
180.08667	0.4
181.04916	8.9
270.45206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01868	15.7
57.03172	1.0
57.03430	14.1
61.02918	7.3
61.03189	0.8
61.50376	0.5
69.03415	50.4
71.01328	1.0
71.04966	1.2
73.02903	8.6
78.90706	0.7
81.03412	6.3
83.01342	1.2
85.02890	100.0
87.04455	1.1
91.03931	1.0
97.02868	35.4
99.04440	10.9
101.02356	11.6
109.02870	6.5
115.03913	4.5
127.03893	74.8
128.04225	0.8
131.22003	0.6
145.04939	40.0
163.05980	13.1
180.08664	1.5
216.92950	0.6
230.00789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03943	0.2
55.01862	0.4
57.03427	0.4
59.29626	0.2
61.02911	1.2
65.05595	0.2
66.22729	0.2
67.05486	0.3
69.03421	3.2
69.15688	0.2
70.06584	0.3
81.03401	0.5
85.02896	8.2
86.09687	0.5
95.04910	0.4
97.02887	2.3
99.04427	0.4
103.05460	1.3
105.03394	0.3
107.08574	1.0
108.08894	0.6
109.02887	0.6
117.07010	1.3
123.04414	100.0
127.03883	1.8
130.45050	0.2
131.04912	2.9
135.08028	2.0
145.04939	1.0
145.06506	2.8
163.03847	0.4
163.07515	18.5
181.08562	4.9
198.12090	0.5
220.21309	0.3
234.38898	0.2
252.13622	0.2
360.07730	0.3
363.43942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20891	0.3
52.85192	0.2
55.01851	0.5
57.03418	1.2
61.02908	1.7
69.03414	4.2
73.02897	0.5
76.56007	0.3
79.05470	0.5
81.03394	1.3
85.02890	15.4
87.04439	0.3
89.03889	3.1
91.03932	0.5
97.02874	4.2
99.04449	0.6
103.05450	8.2
107.04944	2.0
109.02856	1.5
111.04361	0.4
117.03364	6.7
119.04928	0.6
127.03910	2.4
131.04901	18.2
135.04402	17.9
139.03897	0.6
145.01694	0.5
145.02837	15.4
145.03951	0.7
145.04884	2.5
147.04375	2.8
163.03873	100.0
163.07498	4.4
164.04178	0.3
165.79927	0.3
181.04927	22.8
189.06058	0.4
312.97784	0.4
325.09128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43377	0.2
55.01865	0.3
57.03426	0.3
60.39591	0.2
61.02902	0.9
69.03424	1.6
73.02892	0.4
78.10526	0.2
79.05498	0.4
81.03400	0.3
85.02893	5.4
89.03897	4.2
91.05453	3.5
95.04955	0.3
97.02338	0.2
97.02852	1.9
99.04433	0.3
107.04985	1.6
109.02833	0.5
109.40644	0.2
117.03365	6.5
119.04920	11.6
122.23256	0.2
127.03870	1.7
135.04393	18.3
139.03888	0.3
145.02832	15.2
145.04924	0.4
147.04395	30.8
163.03877	100.0
164.04178	0.3
173.37335	0.2
181.04930	24.2
325.09088	1.3
358.12775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82175	0.3
53.03931	0.5
55.01865	0.5
57.03420	0.8
59.41103	0.3
60.66032	0.3
61.02908	2.0
69.03429	3.9
71.04966	0.4
73.02900	0.6
74.12230	0.3
79.05479	0.6
80.89371	0.4
81.03387	2.0
85.02895	15.6
89.03883	4.1
90.69077	0.4
91.03920	0.5
96.22997	0.3
97.02875	3.8
97.99684	0.4
99.04424	0.6
107.04948	2.7
109.02856	2.1
111.04431	0.4
114.83980	0.3
117.03353	6.6
127.03896	2.7
135.04402	19.6
145.02840	16.3
145.04942	2.0
149.12669	0.4
163.03877	100.0
164.04253	0.7
180.08656	0.4
181.04929	26.1
284.13519	0.4
360.12604	0.5
360.86722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.219
Annotation	Bengamide E
Peak:m/z	Relative Intensity
63.51174	1.6
88.71347	1.5
128.15451	2.1
184.68436	1.9
280.75861	1.9
359.21851	100.0
365.64670	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08315	0.2
50.65004	0.1
51.23390	0.2
53.03923	0.3
53.81441	0.2
54.11710	0.2
54.81462	0.2
57.03435	0.4
58.27579	0.2
61.02915	0.5
62.73273	0.2
63.46566	0.2
64.97876	0.2
65.03915	0.4
68.83300	0.2
69.03435	1.4
70.06565	0.2
74.45267	0.2
74.91476	0.2
79.05477	0.2
81.03397	0.3
85.02891	4.0
91.03899	0.2
91.05460	0.3
93.03380	0.3
95.04951	0.4
97.02866	1.0
109.02842	0.3
121.02834	2.4
127.03909	1.0
133.02840	2.9
135.04393	3.5
145.04944	0.3
145.10127	0.2
149.02325	100.0
163.03876	67.4
163.07536	1.2
167.03381	1.3
181.04926	15.1
190.52383	0.2
196.08858	0.2
317.05634	0.2
371.32565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18730	0.3
53.03929	0.7
53.83871	0.4
55.01857	1.0
56.37809	0.3
57.03413	2.1
57.98921	0.3
61.02901	2.7
69.03413	7.9
71.04975	0.6
72.08115	0.6
73.02891	0.8
79.05499	0.4
81.03400	2.8
85.02890	21.8
86.03244	0.4
87.04433	0.5
89.03883	4.9
91.05440	1.7
92.61423	0.3
93.06973	0.5
95.04989	0.4
95.08581	0.6
97.02865	6.7
99.04446	0.7
99.62777	0.4
101.02394	0.5
103.05453	0.7
105.06997	0.7
107.04940	0.9
107.08571	7.1
108.08904	2.2
109.02850	2.2
109.06517	0.5
109.10150	0.9
117.03360	6.5
117.06979	0.7
119.04950	0.5
123.04401	60.8
127.03885	4.9
131.04915	2.1
133.10158	3.1
134.10434	0.5
135.04393	19.2
135.08006	1.8
135.11621	0.7
137.05952	1.6
137.09624	0.5
137.84871	0.4
139.03922	0.6
145.02824	15.0
145.04933	2.9
145.06474	2.4
147.04398	0.5
156.73877	0.4
163.03871	100.0
163.07487	10.6
164.04129	0.5
179.10631	0.8
180.11092	0.6
181.04927	22.4
181.08473	4.5
197.11676	5.6
198.12102	3.3
342.12183	0.4
360.16586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89112	0.3
53.03913	0.5
54.81715	0.4
55.01849	0.4
55.05493	0.8
55.56836	0.3
57.03423	0.8
59.04967	1.4
61.02906	0.8
61.50145	0.3
67.05476	1.5
69.03400	3.2
69.07038	0.5
71.04970	0.4
73.02892	0.4
79.05462	2.2
81.03389	1.5
81.07021	2.3
83.04939	0.3
85.02883	13.4
86.09676	0.9
91.05460	6.7
93.07020	13.6
95.04959	3.8
95.08523	0.6
97.02885	2.8
105.07009	12.8
107.08571	40.1
109.06467	2.1
109.10120	3.3
115.05495	0.5
119.04919	1.5
119.08527	4.5
121.06492	4.4
123.04390	2.1
123.11636	0.9
127.03865	1.6
127.27962	0.4
131.08479	0.5
133.10103	41.9
135.08038	0.7
135.11664	34.5
137.05933	1.7
137.09604	3.3
143.08533	0.6
145.04935	1.0
151.11150	4.0
161.09579	22.4
162.36890	0.4
179.10626	61.5
180.11053	0.5
196.40585	0.4
197.11690	100.0
198.12003	0.5
359.16617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2191
Annotation	Bengamide E
Peak:m/z	Relative Intensity
52.82470	0.6
60.40797	0.5
67.05483	0.6
68.98000	0.5
71.66632	0.6
77.86310	0.7
81.73426	0.7
87.04466	3.2
92.09336	2.1
93.07021	0.9
94.20499	0.7
107.08659	0.7
112.89962	0.7
115.29244	0.7
134.99600	0.7
166.06506	0.6
337.82556	0.8
359.21872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.53474	0.2
53.00297	0.3
53.03920	0.4
55.01855	0.6
55.05496	0.7
57.03419	1.2
59.04971	1.3
60.70915	0.3
61.02904	0.7
67.05471	1.3
69.03417	3.5
70.06564	0.3
71.04970	0.3
72.08121	0.3
73.02899	0.6
79.05467	2.1
81.03387	1.2
81.07040	2.3
85.02888	11.4
85.93227	0.3
86.09676	1.5
91.05459	5.8
93.07029	13.2
95.04951	3.9
95.08579	0.7
97.02881	2.7
99.04435	0.5
105.07015	9.8
107.08578	39.2
109.02848	0.7
109.06524	2.6
109.10135	3.1
117.07066	0.3
119.04865	0.7
119.08562	4.9
121.06468	3.1
121.10100	0.3
123.04414	1.7
123.11691	1.6
127.03884	1.6
131.08496	0.4
133.06451	0.6
133.10109	35.1
135.08047	1.4
135.11673	33.6
137.05989	2.2
137.09592	3.0
143.08563	0.6
145.04895	0.6
147.04448	0.4
151.11160	3.6
161.09593	21.0
162.10001	0.3
163.03915	0.6
164.08408	0.3
179.10641	60.9
180.10934	0.3
193.91963	0.3
197.11702	100.0
198.11967	0.6
359.16754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01864	4.4
55.05511	1.2
57.03427	7.6
59.04976	1.3
60.20768	0.9
61.02916	10.0
62.45794	0.9
65.03909	1.2
67.05489	4.4
69.03423	21.3
71.04967	2.3
73.02889	4.6
75.41957	1.0
78.29206	0.8
79.05476	4.3
81.03409	12.4
81.07047	2.0
83.01299	1.0
85.02893	61.8
87.04453	1.7
88.21227	0.9
89.03896	2.2
91.03938	6.0
91.05462	10.7
93.07027	9.2
93.55206	0.9
95.04962	5.1
95.08583	6.6
97.02885	23.8
99.04443	5.0
105.03348	1.0
105.07022	17.6
107.04960	1.6
107.08585	100.0
108.88986	1.1
109.02871	6.1
109.06522	4.4
109.10146	16.1
117.03371	4.4
119.04908	1.1
119.08566	4.7
121.06473	2.4
122.03651	1.1
123.04485	1.7
123.11681	1.8
127.03904	11.1
127.40869	1.1
131.04898	6.7
133.02884	3.6
133.10112	51.2
135.04387	8.5
135.11679	12.0
137.05923	7.2
137.09589	12.5
145.02823	7.9
145.04935	6.1
147.04433	4.4
151.11165	6.5
161.05940	1.4
161.09584	12.1
162.06758	2.1
163.03879	32.9
179.10638	31.0
179.12112	1.9
181.04953	5.4
185.97650	1.1
187.03876	4.8
197.11710	92.7
217.99113	1.0
234.06523	1.2
309.07358	1.7
311.09088	1.9
326.07117	1.0
359.16913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85645	1.7
55.01844	1.5
55.05486	1.3
59.45360	1.2
65.03904	1.9
67.05487	3.6
69.03397	2.0
69.07050	2.6
71.04969	3.0
78.01593	1.6
79.05455	2.7
81.07020	6.1
86.09666	3.1
91.05457	5.7
94.04174	2.2
95.04944	2.1
95.08578	2.8
97.06543	1.8
103.05444	5.6
105.07005	1.9
106.06498	1.5
107.04914	1.8
107.08536	1.7
109.06475	2.9
115.05423	2.7
117.06969	1.9
119.04925	2.6
119.08520	2.2
122.03628	9.0
125.06943	1.5
128.06161	2.0
129.06972	9.9
131.04901	12.5
133.02834	2.5
133.10060	1.5
137.02280	1.5
137.05957	100.0
143.04913	1.8
144.05684	6.1
145.06392	2.2
147.04340	2.2
149.05962	2.6
151.05037	1.7
151.07442	1.9
157.06471	2.9
160.05092	6.8
161.05919	7.9
162.05447	9.4
163.03809	2.6
163.07443	1.7
171.09648	1.3
172.05122	9.9
174.06773	10.0
175.07512	18.5
177.05429	3.3
178.02362	1.3
180.06511	5.7
187.03677	1.4
187.07486	45.5
189.09059	10.7
191.08578	2.2
199.07549	2.6
202.07780	6.0
203.08566	17.0
205.06425	2.5
211.07521	8.6
212.04668	6.8
213.05298	1.8
217.08502	10.5
218.07281	1.7
219.08008	9.1
220.08768	8.0
225.08919	2.2
227.06969	38.6
231.07997	16.0
232.08784	3.5
236.08185	3.6
237.09006	1.9
239.51263	1.8
240.07706	18.2
241.08595	3.3
247.07494	8.7
248.08250	25.4
251.10643	3.5
255.06464	34.6
256.07205	8.9
259.07495	3.1
260.08392	2.1
261.08990	1.8
263.10629	16.3
265.08496	7.9
268.07230	2.3
269.07977	2.3
270.08795	53.5
271.09592	18.8
276.07706	12.3
277.08472	6.6
279.10117	8.9
280.10770	2.7
281.07980	3.1
283.09445	10.9
291.10071	34.4
292.10928	2.0
293.08008	8.0
296.10214	5.8
305.11526	1.6
308.10324	3.6
311.12769	7.4
323.12650	33.9
341.13708	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	359.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
55.01862	3.7
55.05500	4.2
55.28502	0.7
56.54714	0.9
56.96573	1.2
57.03406	0.9
57.05054	0.8
62.82450	1.0
63.55783	0.8
65.08508	0.8
67.05502	3.8
69.03407	1.6
69.07062	6.6
69.30928	0.8
69.33076	0.9
79.05473	2.2
81.03430	1.1
81.07040	9.8
83.08610	1.4
85.02939	1.1
91.05463	6.3
93.07040	7.3
95.04965	4.3
95.08587	9.0
103.05479	1.4
105.07014	7.4
107.04947	2.4
107.08560	7.0
109.06500	2.0
109.10165	5.3
111.04413	1.5
114.06524	0.9
115.05437	6.2
117.06980	1.2
117.31805	0.9
119.04926	1.0
119.08537	3.4
121.06484	2.3
121.10133	4.5
122.03629	2.0
123.04464	1.1
123.11670	2.1
131.04924	4.1
133.06467	2.0
133.10089	1.3
135.04352	1.5
135.11697	1.9
137.05960	44.1
143.04909	6.3
146.03645	5.8
147.11647	1.3
148.64604	0.9
149.05968	4.6
149.13280	2.0
150.06674	0.9
151.03864	1.1
151.07594	1.0
153.06979	1.2
154.07780	2.2
160.05208	1.6
161.05956	35.7
163.03784	1.1
163.07428	1.4
165.06969	28.1
167.04912	1.1
167.07176	3.0
167.08617	4.3
169.06638	1.0
169.10091	1.1
173.05811	1.1
175.07506	5.5
175.14868	1.1
177.06883	1.6
178.07809	2.0
179.07111	1.5
179.08455	7.4
181.06396	6.9
182.07278	12.6
183.08096	1.7
187.21826	0.9
188.04636	15.1
189.07094	1.1
191.06964	5.1
191.08481	1.0
193.06462	34.5
193.08090	1.8
194.07260	5.4
195.08022	4.5
196.08818	3.5
197.09590	6.0
199.07581	1.8
203.06999	19.2
203.08711	1.3
205.06342	1.5
206.07246	2.2
207.08029	6.7
209.05954	5.0
210.06749	36.0
211.07562	5.2
213.09073	1.1
214.09874	1.5
221.05957	47.5
222.06749	1.9
223.07613	3.8
224.08311	13.7
225.09065	61.5
227.06889	8.5
232.48862	1.0
234.06705	6.0
235.07475	7.6
236.08235	1.1
237.05447	3.8
238.06212	23.4
239.06946	6.0
239.10663	6.3
241.08482	2.2
242.09187	1.2
245.02310	1.2
249.09081	8.2
251.06978	7.4
252.07761	12.2
253.08548	79.9
254.09277	1.8
255.06609	10.1
257.11798	1.1
262.06262	2.0
263.07007	1.4
266.09406	2.1
267.10110	35.1
267.12851	1.9
269.08002	2.2
270.08813	10.7
277.08505	13.6
279.06555	1.3
280.07352	4.5
285.11160	100.0
294.08887	6.6
295.09647	12.4
305.24649	1.2
309.11142	17.8
311.09091	1.4
312.09802	4.5
327.12216	77.7
338.12076	1.2
347.12402	1.3
359.14740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03932	0.5
55.01851	1.6
57.03409	0.6
61.02909	1.0
65.03945	0.6
69.03402	3.1
69.75628	0.7
72.08132	1.0
73.02901	18.1
81.03382	0.7
85.02894	7.3
85.63496	0.6
86.01845	0.6
86.09682	2.7
88.83313	0.5
91.05470	1.2
95.04924	0.6
97.02846	1.5
107.04917	0.7
108.02113	0.6
109.02871	0.9
110.03645	3.1
111.04394	1.2
119.04897	1.1
122.46517	0.7
125.05967	20.1
129.07011	0.9
133.02794	0.8
137.05945	9.7
141.05455	1.2
142.96492	0.6
149.05997	3.5
149.49655	0.5
151.03883	100.0
151.04939	4.5
151.07516	3.4
160.05197	1.1
163.03920	4.8
172.05148	1.1
175.07481	4.6
179.07005	22.6
187.07550	6.9
189.09113	1.1
197.08057	45.8
220.08794	0.6
222.85541	0.9
248.08142	0.8
266.38605	0.7
279.10089	1.1
279.77145	0.6
300.86481	0.7
359.16699	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	359.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.5
69.03432	1.4
72.08144	1.7
79.05486	1.9
81.03338	1.0
81.07050	1.2
85.02875	5.6
86.09707	2.4
89.03879	1.9
91.05463	12.5
93.07024	2.6
94.04145	1.9
95.04945	2.5
102.04665	6.5
103.05444	11.9
105.07033	5.8
107.04944	8.4
107.08603	1.6
109.02850	1.5
109.06451	1.4
114.05489	1.5
115.05426	8.7
117.03327	2.0
117.06989	3.0
119.04933	9.7
119.08556	1.4
121.06470	9.7
122.03630	5.2
123.04376	9.4
124.05203	6.4
127.03831	1.6
129.06958	2.1
130.04155	8.7
131.04900	31.8
133.02858	11.0
133.06438	2.6
135.04398	24.1
137.05956	66.4
141.06970	5.3
143.04909	5.7
146.03593	10.3
147.04388	34.6
149.05988	13.0
150.06746	16.5
151.03860	2.8
153.06953	25.0
155.08556	12.0
157.06425	2.0
159.04436	9.7
160.05138	1.8
161.05959	36.9
162.06758	37.5
162.09116	5.3
163.03860	7.5
163.07515	6.3
165.06970	51.8
166.07712	2.8
167.08505	2.6
169.06410	2.0
174.06781	2.2
175.07494	6.8
176.06277	1.6
177.06937	3.0
178.07782	6.5
179.08511	6.9
181.06430	30.2
182.07233	2.0
183.08025	21.8
187.03876	24.8
187.07506	8.3
189.07028	5.6
190.07823	5.0
191.08521	7.5
193.06427	20.4
194.07266	8.0
195.07988	2.8
197.06000	5.5
197.07813	1.6
199.07509	16.4
205.06476	6.7
207.08034	8.4
209.05948	5.4
209.09508	2.0
210.06726	7.6
211.07512	100.0
213.09087	5.0
217.08434	1.4
218.07242	1.5
219.07954	10.8
221.05956	24.1
222.06750	2.1
223.07480	7.5
224.08388	1.8
225.09109	10.6
227.06975	11.5
231.07939	1.5
233.06009	6.2
235.07526	9.4
237.05318	1.7
237.09090	7.1
238.06216	1.7
239.06979	51.3
239.10675	1.8
241.08478	1.9
247.07463	9.3
250.06206	5.2
251.06979	9.5
253.08511	9.5
254.05508	2.4
255.06520	4.3
259.09610	6.7
262.06155	1.9
263.06964	7.1
264.07614	1.9
265.08542	8.5
267.06497	38.1
269.08078	4.7
270.08881	6.7
271.09637	21.7
278.05807	1.6
279.06522	5.1
281.07990	8.0
283.09613	1.9
285.08411	1.3
285.11099	13.0
287.09039	8.6
291.06421	2.0
293.08093	8.7
296.10352	2.5
297.11185	1.7
299.09061	39.1
309.07507	33.6
311.09106	17.5
323.09323	1.8
329.10117	13.1
341.10141	33.1
341.21228	1.4
356.48816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1123
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
51.24537	1.3
55.01867	5.7
57.03420	1.9
57.23071	1.4
60.58825	1.4
60.70623	1.5
62.41780	1.2
69.03405	8.1
71.04968	2.2
77.03913	1.6
79.05486	3.4
81.48554	1.4
85.02903	11.9
86.09693	16.9
89.03896	11.9
91.05462	16.1
95.04951	6.8
97.02887	3.7
99.04443	6.4
102.04653	16.1
103.05454	30.8
105.03411	2.9
105.07012	8.2
107.04946	9.6
107.08589	2.2
109.06508	2.0
111.04435	3.1
113.22585	1.8
115.05402	1.9
117.03372	7.4
119.04925	28.3
120.05247	3.0
121.06501	3.1
122.03623	6.3
123.04415	2.3
124.05156	14.5
127.03896	1.8
130.04124	18.2
131.04915	100.0
133.02837	37.4
133.06458	2.4
135.04399	18.8
137.05959	78.2
145.02864	2.5
145.05150	1.9
146.03662	3.8
147.04393	89.2
148.04709	15.5
149.05971	14.9
150.06766	30.7
151.03935	1.8
151.07561	2.8
159.04398	26.7
161.02356	3.0
161.05960	14.5
162.06737	38.3
163.03906	18.5
163.07507	19.1
165.05464	9.6
165.06839	3.1
166.05753	3.3
166.48854	1.6
177.05405	7.0
177.06953	2.6
178.07744	3.0
179.03412	2.2
179.07069	2.1
179.08545	7.3
180.07800	2.9
187.03889	71.1
189.05318	1.6
189.07013	3.6
190.07741	2.0
191.03339	3.3
191.08405	1.7
194.07228	1.6
197.05826	1.8
197.11621	2.6
199.03851	2.1
205.04871	6.5
205.06523	11.1
207.08035	7.4
217.04822	2.5
217.06645	1.9
219.07982	2.0
222.06700	3.4
223.07500	5.9
233.05968	6.2
234.06671	2.6
235.07509	9.8
245.06068	2.0
249.05508	1.8
250.06287	6.1
251.06950	9.1
261.05597	2.8
263.06979	9.0
265.08621	2.7
273.05365	2.0
279.06470	8.4
291.06363	6.7
293.08121	14.7
305.07983	3.1
309.07516	16.7
311.09082	22.6
323.09177	8.3
341.10101	7.5
355.44144	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	359.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30647	0.2
50.51426	0.2
53.03918	0.2
53.30090	0.2
53.54187	0.2
55.01841	0.3
63.02367	0.4
64.18831	0.2
65.47823	0.2
69.03402	1.0
71.91898	0.2
75.89337	0.2
76.98084	0.2
79.05470	1.8
89.03896	11.6
95.04964	0.3
104.90436	0.2
107.04939	4.4
117.03359	16.5
122.88622	0.2
133.81721	0.2
135.04395	35.0
145.02831	22.0
145.03784	0.5
163.03873	100.0
303.84305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
57.03420	0.3
61.02924	0.4
63.02334	0.4
66.70822	0.2
66.94682	0.2
69.03397	1.3
79.05474	1.9
80.12563	0.3
81.03376	0.4
85.02902	2.5
89.03375	0.4
89.03898	10.4
92.08774	0.4
95.04946	0.6
97.02869	0.9
105.03346	0.4
107.04935	5.4
109.02845	0.4
117.03356	16.0
123.04430	0.6
127.03886	0.5
133.02826	5.6
135.04393	36.2
136.04800	0.2
137.05942	0.5
145.02826	21.1
149.05927	0.4
150.06699	0.5
151.03867	1.6
155.03300	0.3
161.02327	2.5
161.03497	0.2
163.03871	100.0
174.93591	0.2
179.03345	6.4
191.03107	0.6
197.04413	3.3
200.91241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
58.36968	0.2
63.02379	0.2
69.03406	0.6
77.81091	0.2
79.05465	2.3
81.15475	0.2
85.02880	0.3
89.03898	11.2
93.29758	0.2
95.04940	0.3
99.04417	0.4
107.04927	4.0
107.39444	0.2
117.03363	14.8
123.04380	0.2
134.00746	0.2
135.04393	32.6
145.02829	19.7
145.03755	0.4
163.03873	100.0
179.03339	1.0
197.04320	2.0
252.87535	0.3
359.09552	0.5
366.10648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2032
Annotation	TMC 96
Peak:m/z	Relative Intensity
50.37902	0.6
55.01860	0.7
55.05523	2.6
69.07035	0.9
79.05479	1.0
81.07040	3.9
83.08581	0.9
84.08124	1.5
95.04909	0.7
97.10145	1.0
98.97543	1.1
105.07066	0.8
121.58041	0.9
123.08044	0.9
125.09666	1.1
142.66214	0.8
304.88925	0.9
307.85007	0.9
315.21118	1.1
330.09564	0.9
334.31229	0.9
357.20294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74802	0.5
61.82776	0.6
71.39301	0.5
79.55603	0.5
81.07046	0.7
91.05450	0.7
95.08604	0.5
98.97592	0.7
116.98621	0.7
120.96229	0.5
121.10044	0.6
134.99654	0.6
243.58963	0.6
263.80441	0.7
266.43930	0.5
271.72598	0.6
357.20288	100.0
358.20691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	3.1
62.40096	2.0
62.70771	2.0
68.12640	2.2
81.07034	3.1
98.97578	3.2
106.67293	2.2
116.98612	5.3
119.08559	2.3
121.10062	2.8
134.99722	2.7
172.72511	2.2
182.28877	2.3
274.97415	2.7
357.20267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2036
Annotation	TMC 96
Peak:m/z	Relative Intensity
55.05500	2.1
65.38892	1.7
67.05502	2.2
81.07027	2.8
95.08577	2.7
98.97552	3.3
116.98600	1.9
168.18744	1.6
175.13370	1.5
357.20319	100.0
357.24716	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	1-Oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.09211	6.9
55.05511	55.3
57.03430	93.1
57.07061	11.6
69.07038	53.3
71.08604	9.1
74.29137	7.3
75.04456	60.4
83.08585	18.5
93.95592	7.4
97.10146	33.9
140.74678	8.3
242.10913	8.2
250.89258	10.5
357.30096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
57.07070	11.1
58.06579	1.5
59.43675	0.3
62.14949	0.4
62.68757	0.3
63.61677	0.3
69.07050	0.6
70.06579	17.5
70.91457	0.3
71.08606	4.5
73.85977	0.4
77.07777	0.3
81.07059	0.4
85.10174	0.9
85.77702	0.3
88.07614	21.3
95.81280	0.3
98.15485	0.5
102.09161	5.3
106.08658	10.3
138.27438	0.4
162.68196	0.4
183.41193	0.3
190.04198	0.4
295.97125	0.4
314.33948	0.5
340.35669	9.2
353.06097	0.4
357.35361	0.5
358.36725	100.0
359.37653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1177
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03923	0.3
55.05475	0.3
57.03434	1.8
57.03661	0.2
59.04979	0.2
60.08161	0.9
61.02906	0.5
65.03921	0.4
66.76566	0.2
67.05475	0.3
69.03414	2.1
70.06578	0.3
71.04966	0.5
71.53300	0.2
81.03397	0.6
81.07024	0.4
85.02886	5.0
85.10137	0.3
89.03857	0.3
91.05453	4.8
93.03410	0.2
93.05740	0.3
94.04153	1.5
95.01306	2.0
95.04945	0.3
95.08572	3.8
96.08928	0.6
97.02887	1.7
98.09645	0.3
103.05441	1.0
107.04920	0.3
108.04448	0.4
109.02855	0.3
110.06025	6.8
111.04424	0.9
113.09618	2.0
114.10004	0.5
119.04916	8.8
122.03639	5.8
125.02332	1.1
125.05974	0.6
127.03904	0.4
129.01797	0.3
131.04897	1.4
131.10651	6.9
132.11005	1.8
136.05132	0.3
137.05951	100.0
141.01787	0.5
147.04381	18.2
151.07504	0.6
153.01797	0.4
153.05415	1.2
153.06520	0.3
161.17627	0.2
163.03859	1.2
163.07504	1.7
164.06998	0.3
177.05402	0.6
177.11157	0.9
178.11481	0.4
181.08533	1.8
195.11259	7.1
274.45224	0.3
300.45404	0.3
357.15311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.96560	0.8
57.44489	0.4
68.97910	0.4
69.07043	0.5
70.06580	100.0
71.04989	0.4
71.25669	0.3
71.38177	0.3
71.46687	0.3
79.05499	0.4
81.03409	0.4
81.07049	0.5
83.71078	0.4
86.09692	18.8
91.05434	0.5
93.07031	0.5
98.97551	0.5
105.07021	0.6
109.02953	0.4
116.98592	0.5
127.25485	0.4
137.02333	2.5
146.11758	4.4
147.04436	2.1
163.03931	0.5
183.14906	15.2
194.75578	0.4
211.14383	9.9
211.16217	0.6
214.05974	0.6
226.18814	0.4
259.20117	2.9
332.11136	0.4
356.25275	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	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05504	15.9
57.07064	3.3
58.06575	0.7
67.05480	0.4
68.47261	0.3
69.06713	0.6
69.07053	10.8
70.06577	18.5
71.08599	0.8
75.56663	0.3
81.07031	0.4
83.08605	4.5
88.07613	20.9
97.10123	1.4
102.09152	5.6
106.08655	9.7
111.39767	0.3
115.93620	0.3
117.00214	0.3
126.05119	0.4
146.86249	0.4
152.37360	0.3
244.51811	0.4
292.71066	0.4
321.26746	0.3
338.34052	9.2
345.43420	0.3
356.35159	100.0
357.35611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27809	2.2
55.05497	29.7
56.61360	2.4
57.03421	3.5
57.07053	9.7
57.23929	1.9
63.27151	2.5
64.33654	3.1
64.53245	2.0
66.99522	2.6
67.05492	84.6
69.07056	33.4
71.08610	4.3
75.08618	2.2
79.05481	27.8
81.07039	100.0
83.04978	2.6
83.08604	23.3
85.10193	3.2
88.84831	2.4
91.05469	21.6
93.07030	32.3
95.08588	75.3
97.06522	11.6
97.10155	10.4
98.97574	15.8
105.07021	15.1
105.75294	2.6
107.08572	16.2
109.10139	46.8
116.98612	12.0
119.08551	16.2
121.10138	15.0
123.11694	11.5
133.10118	14.0
134.99644	9.8
135.11653	10.9
137.13252	4.2
142.67694	2.3
147.11670	9.7
149.13263	3.9
157.20178	2.6
161.13217	10.9
163.14803	3.8
175.14833	4.4
231.52835	2.8
245.22569	23.4
263.23608	35.6
290.94696	5.0
337.27274	25.3
354.33484	2.9
355.33890	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.87881	0.7
54.11444	0.8
55.05269	1.7
55.05508	35.9
57.03421	8.5
57.07067	14.4
59.55718	0.8
65.03923	1.4
67.05495	94.2
67.69016	0.9
69.07056	29.2
69.07410	1.9
71.04973	1.4
71.08606	4.3
79.05483	26.9
81.07043	100.0
83.04979	1.7
83.08602	20.0
85.06517	1.6
85.10182	1.1
91.05460	21.5
91.93449	1.0
92.09381	2.4
93.07030	28.4
95.04947	1.8
95.08590	82.5
97.06500	7.8
97.10158	9.4
105.07017	16.7
107.08586	17.8
109.06425	1.2
109.10144	28.8
111.08073	1.1
111.11716	0.9
111.88949	1.0
116.98635	1.0
119.08582	12.2
121.10126	16.3
123.11708	12.5
133.10127	11.5
135.11670	8.1
137.13240	5.3
147.11674	7.0
149.13268	4.2
151.14781	1.8
161.13226	9.9
163.14778	5.6
165.16370	1.5
175.14819	4.9
178.83992	1.0
189.16341	1.6
218.74763	1.0
232.88684	1.2
245.22588	16.4
252.08665	1.0
263.23624	19.8
296.31503	0.9
337.27359	19.9
355.28143	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	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.03422	1.9
59.04984	5.9
69.03428	1.0
69.07052	1.1
72.61128	1.1
76.56096	1.1
81.07031	2.4
85.02900	4.5
86.09707	1.4
88.79652	1.0
90.47531	0.9
95.08578	1.5
97.02865	1.7
98.12050	1.1
98.97541	1.0
101.19278	1.0
123.04382	4.4
123.11676	1.4
131.04918	2.3
135.04399	1.9
145.02798	1.0
147.04391	17.3
149.02348	7.2
154.23438	1.1
159.04341	1.9
163.03859	11.1
175.03889	3.7
177.01849	5.3
177.05441	4.6
187.03891	4.8
189.05420	1.7
193.05014	1.3
195.02837	6.2
203.03366	100.0
205.04929	10.7
215.03355	9.2
217.05099	1.1
219.02899	1.8
231.02840	17.8
233.04422	7.8
261.03918	5.6
279.04941	15.6
281.05014	1.1
291.04932	10.9
321.06232	3.9
339.07074	11.0
356.09763	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	356.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31773	0.6
55.01881	1.2
55.05500	1.1
57.03428	8.9
61.02913	1.7
63.35893	0.7
67.01848	1.9
69.03423	9.9
71.04982	0.8
72.08139	18.3
73.02891	1.6
81.03418	1.4
83.01326	1.5
85.02892	42.4
86.09686	2.0
87.04442	1.0
91.05357	0.8
95.01310	100.0
97.02868	14.3
107.29832	0.8
111.00760	5.0
111.79387	0.9
113.02341	11.5
118.08643	6.0
127.03889	1.3
129.01810	19.1
141.01807	53.8
145.04932	1.0
159.02814	1.4
177.03909	59.6
180.06595	1.4
182.02634	1.2
210.02158	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22276	0.5
53.03941	0.8
54.81856	0.5
55.01867	1.1
55.05505	2.8
56.96559	0.6
57.03429	17.2
57.07065	3.0
59.04992	1.0
61.02911	3.7
63.04962	0.6
67.05496	3.5
69.03423	6.7
69.07046	1.2
71.04982	3.8
75.04471	0.5
81.03398	4.4
81.07044	3.3
83.08619	1.1
85.02892	27.2
85.06537	1.2
85.10172	5.8
87.04440	1.0
91.05468	2.4
95.01297	0.7
95.08588	55.2
97.02858	9.1
97.06500	1.1
98.09713	2.2
99.04443	1.3
101.05986	1.0
103.05498	0.7
107.04948	0.8
109.02866	0.9
110.06026	0.9
111.04376	0.8
113.09631	30.5
115.07549	0.7
119.04916	5.4
121.02840	1.4
122.03621	1.1
123.08041	3.5
123.11716	1.0
127.03904	2.4
131.04921	0.9
131.10661	100.0
135.04407	1.3
136.04706	1.0
137.05959	42.9
140.61472	0.7
141.09033	1.0
145.04974	3.4
147.04395	9.4
159.10138	0.8
163.03870	4.2
163.86278	0.6
164.04187	5.2
177.11205	12.6
180.08684	2.9
194.13908	4.3
195.11243	0.9
203.03391	2.6
205.05023	2.2
206.05417	3.3
207.06104	0.9
229.32375	0.7
235.06099	3.0
236.06374	5.0
246.08350	1.4
260.06253	0.8
290.07742	0.6
298.02051	0.8
341.83475	0.7
356.10535	2.9
356.16855	1.1
357.15363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49363	16.1
52.87411	16.0
53.63779	16.3
54.74945	19.0
55.05507	47.2
64.33710	20.1
67.05505	82.6
69.07040	39.3
79.05463	44.5
81.03410	21.1
81.07030	48.8
91.05463	51.4
93.07021	39.7
98.97569	100.0
105.07034	49.3
107.08605	23.6
116.98606	53.6
119.08562	37.3
126.42076	28.5
129.06960	21.4
131.08556	37.0
134.99591	32.0
198.02162	21.6
269.48148	22.8
290.94724	35.7
314.32574	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	355.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80905	0.1
51.39863	0.2
55.05495	0.2
57.03418	0.2
58.73582	0.2
61.26698	0.2
63.02381	0.2
67.05470	0.4
71.04980	0.3
79.05472	1.5
82.04443	0.2
83.04958	1.3
85.06511	0.2
89.03377	0.4
89.03899	7.3
91.41062	0.2
93.03368	0.3
95.04935	1.0
101.02359	1.0
107.04947	2.8
111.04418	0.5
113.05301	0.3
113.05994	4.7
114.06322	1.2
117.03358	12.6
129.05490	0.2
131.06952	0.8
135.04398	27.2
139.07492	0.3
145.02832	18.5
163.03874	100.0
163.86481	0.2
164.04163	0.5
239.84868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.44775	0.2
54.57769	0.2
54.81514	0.2
55.05494	0.3
61.66515	0.2
62.48088	0.2
63.02341	0.3
63.53484	0.2
67.05503	0.3
75.28072	0.3
79.05479	2.0
83.04953	1.6
85.02902	0.4
89.03900	7.4
95.04938	0.6
107.04945	3.4
111.04421	0.5
115.87790	0.3
117.03360	14.1
135.04398	31.0
145.02832	18.3
145.03802	0.7
153.00513	0.2
163.03876	100.0
165.06340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.4
57.03427	4.1
57.07055	5.3
67.05496	35.7
69.07045	15.7
79.05461	6.8
79.39904	3.7
81.07041	43.8
83.08597	4.7
84.33163	3.2
91.05456	6.4
93.07014	7.0
95.08588	29.1
97.10147	3.5
105.06997	5.3
107.08546	5.0
109.10165	7.2
112.02273	4.1
121.10085	3.4
123.11725	3.8
127.74520	3.3
175.14891	4.4
245.22560	8.0
263.23721	7.1
282.35910	3.6
330.15176	4.4
355.28159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81911	2.6
55.01864	6.6
55.05507	26.9
57.03439	4.9
57.07054	2.5
61.43493	2.6
65.03935	3.0
66.51702	2.4
67.05495	53.5
69.07055	19.2
71.04971	16.4
71.08621	50.4
79.05480	53.5
81.07043	49.4
81.92765	2.6
83.04958	19.6
83.08610	2.6
85.06524	5.5
91.05460	100.0
93.07029	39.5
95.04959	6.8
95.08577	14.3
97.06517	3.2
99.08078	22.8
99.52408	2.7
103.05402	3.5
105.07017	60.8
107.04969	3.7
107.08562	19.6
109.10141	3.4
115.05470	10.3
117.07003	83.0
119.08557	26.4
121.06508	5.9
121.10112	16.0
123.08093	4.3
128.06197	19.4
129.06975	58.4
130.07738	5.5
131.08531	52.7
133.10103	5.1
135.08017	7.0
139.11150	6.8
141.06995	33.0
141.12732	11.2
142.07700	3.4
143.08543	34.0
145.06422	3.0
145.10121	38.9
147.07939	3.1
153.07004	6.2
154.07785	4.2
155.08553	37.1
157.10069	23.2
159.11653	15.5
161.09665	5.3
167.08501	6.6
169.10083	31.8
169.62679	3.4
171.11610	14.1
173.13200	4.0
181.10126	6.1
183.11717	6.7
185.13243	11.4
187.11142	21.4
199.11113	5.3
201.12753	5.4
203.14197	4.3
208.07375	2.8
239.17931	6.4
275.58841	3.1
301.21649	10.6
344.40964	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05499	0.5
57.03426	5.7
61.02890	0.4
67.05489	1.7
69.03419	0.9
69.07050	2.0
71.04975	5.1
73.02897	4.1
79.05481	0.5
81.03404	0.6
83.04955	0.8
85.02889	5.4
85.06531	7.7
93.07018	1.5
95.04952	8.2
97.02874	1.5
97.06503	2.3
98.97574	0.3
99.04471	0.4
101.02359	16.8
111.08069	5.8
113.05991	100.0
115.07549	0.8
131.07022	19.2
131.08012	0.6
135.04372	0.7
139.07515	13.0
147.04352	0.4
157.08578	11.0
163.03879	2.5
175.09624	4.2
223.31447	0.3
229.16791	0.4
232.04291	0.4
238.08392	0.3
352.99454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82075	1.1
53.03922	2.7
55.01856	3.1
55.05505	20.7
57.03417	9.2
57.07068	1.9
61.02914	11.6
64.33692	1.3
67.05485	7.4
69.03423	30.2
69.07059	86.5
70.69579	1.2
71.04980	6.6
73.02896	3.1
79.05475	11.5
79.05836	1.3
81.03397	20.7
81.07040	33.7
83.04966	8.2
83.08563	1.6
85.02890	96.0
85.94666	1.3
87.00813	30.6
87.04465	1.3
89.53600	1.2
93.07015	30.1
95.08575	18.6
97.02879	27.0
97.06504	18.2
97.10156	25.6
99.04444	8.9
101.02354	2.4
105.01848	23.2
109.02859	18.3
111.11702	17.1
121.10111	42.6
127.03898	33.0
129.51619	1.3
135.87660	1.3
139.11163	100.0
145.04979	10.8
157.12218	91.0
159.02887	2.2
163.03845	7.9
171.34497	1.3
175.13271	27.5
177.54761	1.5
183.97586	2.0
231.04912	5.8
249.06018	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01869	7.5
55.05506	15.7
57.03425	8.7
57.07068	1.9
59.04989	1.2
61.02925	8.2
65.42306	0.8
67.05497	9.3
69.03027	1.0
69.03417	35.9
69.07058	62.5
71.04985	7.1
71.08618	0.8
73.02895	5.3
73.06548	1.6
79.05476	9.1
81.03403	19.1
81.07041	25.7
83.04960	6.0
83.08606	1.8
85.02893	100.0
85.06564	0.9
87.00815	29.4
87.04451	1.7
91.03943	1.6
91.05470	1.1
93.07028	20.7
95.08595	16.2
97.02873	26.3
97.06511	13.9
97.10155	23.1
97.68281	0.8
99.04448	8.7
101.05997	1.3
105.01859	26.0
109.02865	22.7
111.11710	14.9
115.11224	1.0
116.98618	0.9
117.01820	1.3
121.10124	33.6
125.55637	1.0
127.03903	36.8
129.01846	3.4
139.11163	77.9
144.05557	1.0
145.04939	11.8
154.08960	1.1
157.12219	60.7
159.02899	7.6
163.03908	4.8
175.13271	19.9
210.38181	0.9
213.03906	1.1
225.50203	0.9
231.04987	11.1
249.06088	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.6
57.03420	5.6
61.86965	5.1
67.05493	96.3
69.07053	12.4
79.05477	72.8
81.07043	100.0
83.08596	8.0
91.05457	41.3
93.07014	75.1
95.08585	71.3
105.07034	26.7
107.08585	44.3
109.06436	5.6
109.10146	29.6
119.08570	11.5
121.10102	39.9
123.11678	7.7
131.08510	12.3
133.10071	7.2
134.99542	7.3
135.11687	25.3
143.94611	6.2
145.10127	9.5
149.13234	14.4
159.11710	7.2
163.14825	7.8
165.12535	5.7
173.13219	7.9
243.21019	24.5
261.22110	44.8
302.80048	7.2
335.25812	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	354.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63710	0.7
54.81413	0.7
55.05507	1.8
57.07078	0.9
61.02904	2.8
62.06081	1.1
64.33146	0.7
67.05489	9.3
68.99760	0.7
69.03414	12.0
71.04961	1.3
73.02884	0.7
79.05476	1.4
81.03405	3.0
83.04971	25.0
85.02901	18.7
87.00826	0.9
87.04456	3.2
93.03387	1.1
93.07057	2.7
95.04951	4.6
97.02884	9.5
97.06533	1.8
99.04457	0.9
111.04430	37.3
111.08078	0.8
114.96237	0.8
115.03923	4.7
116.73991	0.7
127.03880	0.9
129.05469	13.2
139.03888	96.7
139.07524	6.3
139.11070	0.8
141.92136	0.8
145.04945	1.4
147.06497	5.5
157.02882	0.8
157.04944	14.9
157.08598	3.9
175.05992	100.0
180.08669	1.4
182.36821	0.8
192.08647	3.0
192.12198	1.0
193.04860	0.8
329.18896	1.0
354.13907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03937	1.5
54.31853	0.8
55.05270	1.0
55.05507	16.8
57.03422	5.1
57.07072	6.9
65.03916	2.1
67.05495	100.0
68.43885	0.8
69.07050	17.2
71.04971	1.5
71.08585	1.0
75.04459	1.5
79.05477	58.8
81.07041	95.5
83.04945	1.1
83.08598	7.1
85.02884	4.2
85.06528	1.8
91.05461	29.3
92.08778	1.9
93.07027	70.1
94.59122	1.0
95.04944	2.2
95.08589	70.9
97.06499	4.9
97.10167	4.6
99.08113	1.5
105.04441	1.4
105.07008	18.5
107.08585	41.2
109.06476	1.3
109.10143	34.7
111.08092	1.4
117.07008	11.0
119.08575	16.8
121.10124	30.5
123.08059	1.8
123.11678	13.2
130.07750	1.1
131.08553	23.2
133.10098	13.7
135.11665	23.3
137.09583	1.1
137.13228	4.9
142.59300	0.9
145.10120	16.4
147.11652	10.7
149.13223	16.1
151.14798	1.4
159.11703	13.6
161.13228	8.9
163.14844	9.9
173.13268	12.8
175.11086	1.1
175.14799	1.5
176.22893	1.0
177.16426	2.1
187.14789	6.4
200.35907	1.0
201.16345	1.5
205.15944	1.0
221.11671	2.4
233.22545	2.3
243.21028	19.7
261.22092	57.6
279.23181	1.1
299.75003	1.0
335.25674	7.2
353.26804	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	2.7
55.01854	0.7
55.05508	17.9
57.03430	7.7
57.07066	4.9
61.67289	0.7
61.95192	0.6
65.03917	1.1
67.05492	99.2
69.07052	16.1
69.26118	0.7
71.04965	1.6
71.08604	1.0
79.05474	45.6
81.07038	100.0
83.04935	0.7
83.08600	6.4
85.06523	1.6
91.05456	22.7
92.08550	0.7
93.06408	1.4
93.07020	62.2
95.04954	3.7
95.08582	69.9
97.06516	3.3
97.10118	2.8
105.07008	16.7
107.07861	1.6
107.08576	35.6
109.06531	1.1
109.09389	1.1
109.10136	30.1
111.08044	1.6
117.06993	9.4
119.08569	14.1
121.10126	27.7
123.08036	1.4
123.11674	17.0
131.08531	20.5
131.09451	1.2
133.10112	10.3
135.11665	19.3
137.13239	3.6
145.10104	14.6
147.11665	8.9
149.13240	11.7
151.14833	0.8
159.11636	11.2
161.13223	7.0
163.14729	7.0
173.13203	9.4
175.14810	1.6
177.12813	0.8
177.16333	1.4
187.14798	5.8
201.16345	2.8
215.17987	0.7
224.62257	0.7
233.22525	1.6
243.21066	13.5
261.22076	45.7
265.90787	0.7
279.23050	3.1
335.25604	10.8
353.26782	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09637	1.0
53.03940	1.8
55.05508	16.5
56.78826	1.0
57.03419	5.9
57.07059	2.4
57.71912	1.0
61.20996	1.1
61.75197	1.0
65.03918	1.6
66.42361	1.0
67.05492	100.0
69.07053	14.6
71.04973	1.9
71.08627	1.0
71.99226	1.1
79.05473	51.0
79.50426	1.1
81.07040	99.8
83.08592	6.6
91.05462	23.5
92.09216	1.9
93.07024	68.6
95.04935	4.7
95.08585	79.0
97.06519	2.6
97.10155	1.5
99.08060	1.7
105.07023	16.6
107.08577	41.2
109.10141	32.8
113.39443	1.3
117.07010	13.2
119.08556	18.7
121.10124	28.2
121.64218	1.2
123.08031	1.2
123.11698	15.4
129.07010	1.9
131.08553	23.2
133.10132	13.1
135.11703	24.6
137.13203	5.1
143.36530	1.4
145.10110	15.6
147.11655	11.8
149.13237	14.6
159.11659	9.4
160.90509	1.4
161.13258	8.5
163.14783	10.2
173.13284	10.9
175.14899	1.4
187.14783	6.8
233.22626	1.5
243.21030	16.4
261.22101	48.6
279.22864	2.7
335.25876	11.5
345.92172	1.1
353.26849	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00290	1.0
53.03953	1.5
55.05503	21.7
56.96560	1.0
57.03423	5.2
57.07069	5.0
57.39816	1.0
65.03909	1.4
65.53921	0.9
67.05494	100.0
69.07053	14.9
71.04966	2.5
71.08635	1.4
75.04457	1.3
79.05004	1.2
79.05474	57.5
81.07039	96.4
83.04936	1.1
83.08600	6.3
85.06519	1.5
89.66605	1.2
91.05466	29.7
93.07021	77.7
95.04961	5.6
95.08583	70.5
97.06532	2.0
97.10143	2.6
99.08102	1.4
105.07010	22.5
105.07645	1.3
107.07863	1.9
107.08585	46.2
109.06463	1.3
109.10141	30.5
113.09639	1.3
117.06976	11.7
119.08573	15.8
121.10116	32.1
123.08061	1.4
123.11677	13.2
129.24776	1.2
131.08548	25.0
133.10091	13.2
135.11679	23.2
137.13240	4.6
145.10098	17.7
147.11653	11.6
149.13226	19.8
151.11172	1.0
151.14816	1.2
154.49031	1.1
159.11685	12.6
161.13225	8.2
163.14830	10.7
167.66859	1.2
170.90892	1.2
173.13237	12.4
177.16360	2.8
187.14796	6.4
201.16367	1.9
205.47218	1.2
219.17346	1.2
228.54733	1.2
233.22557	1.8
243.21053	17.7
245.22609	1.3
245.88531	1.2
261.22092	58.5
279.22992	2.1
281.10345	1.6
299.11670	1.8
335.25717	8.9
337.01147	1.2
353.26727	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.6
53.03944	1.1
55.01856	1.1
55.05504	17.3
57.03432	7.7
57.07061	6.3
59.02528	0.8
61.08102	1.0
65.03931	1.8
67.05491	99.9
68.55269	1.0
69.07056	14.5
71.08622	2.4
79.05476	59.2
81.07040	100.0
83.04966	1.8
83.08601	8.6
91.05460	32.8
93.07024	77.1
95.04942	2.5
95.08582	76.8
97.06521	2.4
97.10146	1.9
98.97528	1.3
99.08100	1.8
105.04483	1.3
105.07002	22.9
107.08578	42.3
109.06505	4.3
109.10139	28.4
111.08039	1.3
117.07001	11.8
117.98769	1.0
119.08570	14.4
121.10130	29.3
123.08155	1.0
123.11705	10.8
131.08537	23.0
133.10117	7.2
135.11679	20.9
137.13243	5.0
145.10106	14.6
147.11690	7.1
149.13252	17.0
151.14874	1.3
159.11661	9.1
161.13185	7.6
163.11136	1.0
163.14784	10.8
173.13208	10.6
175.14786	1.5
177.16347	4.2
181.35706	1.0
181.37747	1.0
187.14796	7.3
198.81915	1.0
201.16475	1.8
203.50775	1.1
233.22672	4.2
243.21037	24.1
261.22070	52.1
335.25867	9.3
353.17010	1.3
353.26801	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81649	4.6
55.05504	9.8
56.05031	8.1
56.46376	3.9
57.07068	9.8
57.43572	3.5
57.79733	4.1
67.05498	92.3
69.07045	20.3
71.04989	4.1
73.79668	3.9
79.05473	53.9
81.07041	100.0
81.11360	4.8
83.08579	5.0
91.05461	32.7
93.07014	69.4
95.04947	8.9
95.08596	71.0
97.06533	6.2
105.07034	31.1
107.08584	54.0
109.10146	24.5
116.98576	6.1
117.07004	8.9
119.08568	19.4
121.10165	34.0
123.11671	4.7
131.08572	26.6
133.10117	7.5
135.11687	10.7
137.09566	4.9
145.10129	17.4
149.13219	7.8
154.12274	49.6
159.11670	7.1
160.36374	5.0
163.14853	4.8
171.14908	18.8
243.21056	28.5
261.22107	43.9
330.07526	4.6
357.96732	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.16070	1.5
54.82141	1.7
54.89244	1.7
56.96550	2.1
59.85342	1.5
66.28313	1.8
69.03410	2.7
81.07040	2.3
85.02888	2.7
92.09335	1.9
102.60346	1.7
109.06509	2.6
113.45163	1.7
114.10913	1.8
114.33096	1.8
119.04952	3.0
147.04398	2.3
155.07047	3.2
163.03877	2.7
201.68114	1.7
210.50938	1.7
302.19501	2.0
353.08368	100.0
356.47864	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.03193	2.9
56.96559	4.1
64.33881	3.3
69.07056	5.3
75.69954	3.4
81.03396	3.7
85.02901	8.3
85.06521	6.0
97.06504	7.9
109.02892	4.2
109.06512	5.5
127.07549	22.1
128.07849	5.8
155.10724	3.7
173.08086	5.5
185.04211	18.5
260.96942	3.6
353.08377	100.0
353.11966	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	353.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07825	5.3
54.81645	6.4
55.05507	12.5
55.59595	5.5
56.66816	6.8
56.96545	7.0
57.07058	5.6
62.54108	5.5
64.91765	5.8
67.05494	26.0
67.20029	6.2
67.97718	5.9
69.07040	8.4
71.04978	25.4
75.33265	6.6
75.94669	5.6
77.33987	6.2
78.12943	5.6
78.73811	5.5
79.05482	41.9
81.07045	38.0
91.05462	60.9
93.07014	50.4
95.04943	31.2
95.08575	14.1
105.07015	100.0
107.08583	47.0
109.06524	13.7
109.10161	14.5
115.05378	8.5
117.06989	29.1
119.08553	82.0
121.10138	29.7
129.06953	8.0
131.08527	68.6
133.10124	63.3
135.08049	11.9
135.11690	8.8
137.09579	14.8
142.07693	8.2
143.08539	42.8
145.10103	66.6
147.11702	8.5
151.71349	7.2
155.08565	11.3
156.09383	15.1
157.10078	47.1
159.11765	9.6
169.10083	9.9
170.10902	7.8
171.11691	35.0
173.13234	29.2
181.10028	8.6
187.14728	12.6
195.11861	10.6
197.13220	26.5
199.14758	13.5
246.29253	7.7
269.80228	6.7
335.23654	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	352.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49385	1.8
52.30602	2.2
55.05492	2.4
56.00445	1.8
57.06819	2.5
57.07074	47.1
71.08614	37.1
73.06556	3.0
83.08598	2.9
85.10171	29.9
89.06020	100.0
92.08217	2.0
93.07045	3.0
107.07091	3.9
107.17278	1.9
133.08595	19.3
171.04390	2.3
177.11287	3.3
195.12273	28.5
229.21611	3.0
238.94385	2.2
239.96690	2.3
335.27878	49.7
352.31812	21.5
358.76437	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	352.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.00294	2.0
53.03928	2.6
54.81585	1.1
55.01867	13.3
55.05263	1.4
55.05503	23.6
55.52585	1.0
57.03413	5.6
57.07080	1.3
59.60288	1.3
65.03892	0.9
67.05490	44.8
69.03403	4.4
69.07053	45.2
71.04967	5.5
79.05474	57.2
81.03386	6.7
81.07037	45.7
83.04948	8.2
83.08590	2.0
85.06505	5.1
87.04436	1.6
87.94422	1.1
91.05458	100.0
92.08633	1.8
93.07029	42.4
95.04948	13.6
95.08575	15.7
97.06496	8.1
103.05433	5.1
105.03378	1.2
105.07009	59.5
107.04915	7.2
107.08567	14.1
109.06508	2.8
109.10139	2.2
111.08054	2.5
115.05407	9.1
116.06194	1.2
117.06995	69.5
119.08558	28.0
121.06493	11.0
121.10105	7.7
123.08051	6.2
128.06204	16.6
129.06972	55.4
130.07796	2.9
131.08545	50.5
133.06456	2.7
133.10075	13.9
135.08028	8.8
137.09590	2.5
139.07561	2.1
141.06976	39.5
141.87779	1.4
142.07741	6.4
143.08536	30.2
144.09323	1.5
145.06477	9.1
145.10109	37.9
147.08049	5.1
147.11649	2.7
149.09631	2.2
152.06145	1.6
153.06932	2.8
154.07732	6.5
155.08524	19.6
157.06464	1.6
157.10104	17.8
159.08017	7.4
159.11670	11.1
161.09598	9.8
161.13132	1.7
163.11168	1.3
165.06938	5.0
166.07767	1.7
167.08504	9.7
168.09335	1.6
169.10095	24.2
170.07295	1.3
171.08008	1.4
171.11636	6.7
173.09576	2.9
173.13196	1.7
175.11116	2.7
178.07727	2.3
181.10042	5.9
183.11653	10.8
185.09567	9.1
185.13220	2.1
187.11142	14.1
193.10013	2.0
195.11705	2.0
197.13297	2.3
201.12729	6.5
204.09723	1.8
205.12245	7.1
207.11667	1.5
207.50345	1.3
211.11195	1.9
217.12306	1.6
219.13765	1.5
229.12140	1.8
239.17937	1.4
299.20151	1.4
372.73911	1.2
376.75757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
54.77975	1.4
55.05507	14.3
56.96554	3.7
57.03428	6.9
57.07066	14.9
59.04982	11.5
67.05495	25.1
69.03400	3.3
69.06757	1.9
69.07060	27.4
69.17213	1.9
71.04967	18.8
73.06529	2.5
81.03419	2.1
81.07042	8.8
83.08604	36.4
85.02885	19.7
85.06524	38.5
92.09310	3.9
93.07035	4.0
95.08578	25.3
97.02859	7.1
97.06523	3.0
99.04413	2.3
99.08060	3.1
101.05994	8.7
109.10143	100.0
113.05991	32.7
113.09626	9.3
117.03339	2.6
127.03918	4.4
127.11166	4.1
129.09094	35.8
135.04395	4.2
137.09602	7.8
145.02831	2.3
153.01865	2.7
155.10648	88.4
155.11922	3.1
161.01224	3.4
163.03880	21.8
173.11705	87.6
182.02373	1.8
226.98628	8.1
244.99565	2.7
255.02237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.0
55.01870	24.5
55.05305	1.7
55.05506	27.3
57.03421	4.5
67.05494	45.5
69.03408	2.5
69.07053	61.2
71.04968	7.5
76.55425	1.6
79.05473	82.8
81.03413	3.9
81.07039	100.0
83.04972	14.2
83.08600	10.6
85.02895	2.2
85.06525	8.3
91.05463	99.2
92.09325	2.2
93.07024	60.3
94.91572	1.7
95.04940	15.3
95.08591	22.5
96.75953	2.0
97.06516	30.1
102.49505	1.6
103.05499	2.1
105.07014	74.0
106.38892	1.9
107.04929	12.1
107.08583	23.1
109.06504	22.1
109.10139	7.6
111.08089	3.1
115.05483	2.9
116.06217	2.6
117.07005	61.4
119.04984	2.1
119.08558	50.1
121.06448	13.3
121.10126	11.6
123.08031	8.7
125.09615	2.7
128.06201	10.5
129.06984	49.2
131.08546	49.1
133.06488	15.9
133.10109	23.5
135.08043	11.7
137.05983	7.7
137.09657	2.0
139.07538	2.0
139.11183	2.8
141.06955	24.4
142.07753	9.7
143.08527	27.7
145.06458	9.7
145.10097	29.8
147.08058	10.7
147.11662	16.0
149.09637	3.5
154.07748	3.8
155.08527	17.1
157.10080	24.6
159.07985	3.1
159.11687	17.4
161.09540	6.9
161.13214	3.9
167.08524	4.2
169.10130	13.5
171.11665	19.1
173.09566	2.7
175.11156	12.1
179.08524	2.1
181.10123	3.7
183.11629	17.9
185.13284	14.7
187.11163	7.5
187.14719	2.5
189.12691	3.8
193.10150	2.4
193.12083	3.1
197.13150	3.3
201.12761	11.6
203.14305	2.0
211.11127	3.6
215.14308	4.2
219.13783	3.3
229.12115	2.6
239.17873	2.2
247.13313	3.0
281.18997	2.2
299.20187	16.2
317.21039	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20789	0.7
51.80198	0.7
55.05504	12.9
56.05025	36.0
56.96558	2.1
57.07064	1.6
58.06618	1.1
63.89917	0.9
67.05489	2.1
71.01352	0.9
76.56243	0.9
79.05479	1.2
82.06581	1.6
83.07336	1.1
84.04489	1.5
84.08126	35.0
84.25369	1.0
86.09688	5.1
87.90650	1.0
92.08677	1.2
96.04468	1.2
98.97591	1.3
106.06548	12.1
109.10101	1.0
109.83642	1.1
116.98524	1.4
119.05282	9.1
127.08653	100.0
130.06816	2.2
133.61676	1.1
159.08353	14.0
162.05894	1.2
163.03876	1.6
169.13326	36.1
189.06100	1.2
234.12334	1.4
246.12341	23.1
287.40570	1.1
288.17017	51.1
318.22577	1.1
334.15802	1.7
338.49667	1.1
351.67865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77283	0.6
53.03923	1.1
55.01859	4.3
55.05503	5.5
57.03426	4.8
61.02908	1.5
67.05491	29.3
69.03413	15.6
69.07055	5.0
71.04975	25.3
79.05467	3.3
81.03411	1.9
81.07034	8.3
83.04989	1.4
84.69866	0.8
85.02887	33.5
85.06539	1.4
87.04470	1.8
89.94536	0.8
91.05461	17.9
93.07023	25.2
95.04964	3.7
95.08584	100.0
97.02352	0.8
97.02866	8.0
97.06494	0.9
98.97568	3.8
99.04441	1.8
103.05445	1.8
107.08575	3.4
109.02822	1.3
109.06541	1.3
109.09383	1.6
109.10133	40.0
111.08062	39.7
113.06015	1.9
119.08564	32.8
125.09593	7.9
127.03881	4.5
127.11137	1.3
127.57967	0.9
131.04913	5.0
137.09599	54.1
145.04996	1.4
146.39458	0.8
155.10643	88.9
173.11673	15.7
197.37265	0.9
312.27573	0.8
345.72504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.7
56.05030	42.4
57.04539	0.3
57.07070	2.2
58.06583	1.3
67.05491	2.8
69.07059	0.4
72.08135	0.4
72.48790	0.3
79.05480	0.3
81.07027	1.6
82.06570	1.6
83.03857	0.3
84.04489	3.9
84.08131	34.3
85.02911	0.4
86.09692	5.8
95.08585	1.8
97.07632	0.4
98.06052	0.6
105.05746	0.5
106.06547	4.2
111.11694	0.3
112.11224	1.2
112.54250	0.3
125.60360	0.3
127.08656	100.0
137.02339	1.4
137.13216	2.3
141.06570	2.4
155.11763	4.8
155.14296	4.0
163.03879	1.6
167.38971	0.4
169.13332	34.9
173.15323	0.6
176.51355	0.3
183.45706	0.3
199.13071	0.3
226.35332	0.3
246.12323	23.1
260.74249	0.4
273.43338	0.3
288.17010	42.4
352.16815	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	31.0
59.45021	5.6
67.05483	38.5
69.07058	51.0
71.91497	7.3
79.05468	34.8
81.07041	60.7
88.86491	6.5
89.06029	6.9
91.05478	51.0
92.09364	8.3
93.07040	88.0
95.04946	33.0
95.08596	76.9
97.06517	7.4
105.07018	98.5
107.08611	48.5
109.10131	42.7
117.07009	7.7
119.08550	100.0
121.10135	54.9
128.06197	7.2
129.06931	10.5
130.07794	7.8
131.08543	46.8
133.10097	35.5
135.07979	7.4
142.07753	29.4
143.08571	45.1
145.10095	50.4
147.11549	11.6
156.09299	9.2
157.10135	34.0
159.11697	16.7
161.09613	49.3
161.13179	10.8
162.41263	7.4
171.11652	13.8
173.13321	10.0
185.13188	14.0
199.14885	7.6
209.13205	8.8
224.94424	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04162	1.8
52.48246	1.9
53.03934	2.6
55.01856	2.3
55.05504	1.9
56.79331	2.1
57.03424	8.8
58.21276	2.4
61.02904	4.1
61.58072	1.8
66.32484	2.4
67.05491	14.4
69.03413	32.9
69.07059	53.1
71.04973	5.1
76.56396	2.9
79.05496	2.6
81.03420	17.7
81.07023	9.1
82.49808	1.9
83.01295	2.6
83.05009	2.4
85.02895	68.1
87.00798	29.1
91.05438	4.0
93.06516	3.1
93.07011	22.7
93.92564	2.3
95.04929	2.9
95.08590	100.0
96.54913	2.3
97.02867	33.6
99.04462	9.4
105.01862	25.8
109.02882	19.3
109.10132	33.9
111.08089	2.5
112.37980	2.0
119.08576	12.3
127.03903	34.9
129.01836	3.4
135.08014	2.8
137.09621	25.5
145.04907	18.7
155.10614	17.7
159.02875	8.3
163.03918	4.6
172.07559	9.5
177.09137	2.5
195.10103	4.7
231.04874	8.4
249.05994	2.7
288.85544	2.0
297.99426	2.2
325.07184	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	351.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.5
56.67054	0.3
69.07042	0.7
79.05476	0.6
81.07047	0.5
91.05457	0.4
97.06432	0.4
105.06984	0.4
107.04907	0.3
107.08568	0.7
109.10146	0.7
122.03624	4.1
135.11673	0.4
137.05959	100.0
153.12764	0.4
170.15402	0.6
182.15376	2.2
306.20544	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20076	1.6
53.03933	3.3
54.81404	2.2
55.05508	15.8
55.47895	1.6
57.03419	9.0
65.03912	2.8
65.44618	1.8
67.05494	45.1
69.07056	16.1
71.04984	2.1
79.05059	3.8
79.05482	86.7
81.07043	58.7
83.04989	2.3
83.08601	3.7
85.06503	2.4
91.05460	66.4
93.07026	100.0
95.04950	9.7
95.08600	29.7
105.07014	73.8
107.08585	60.8
107.13570	2.5
109.10148	12.5
109.91481	2.8
117.07010	17.5
119.08561	52.3
121.10123	32.2
129.06979	9.2
131.08562	18.8
133.04326	2.0
133.10126	33.5
135.11652	25.3
139.66916	2.1
143.08548	11.4
144.00822	2.1
145.10097	17.5
147.11671	30.5
148.95412	2.1
149.13213	15.2
157.10159	10.0
159.11694	11.2
161.13242	13.9
171.11671	4.7
173.13234	11.4
175.14861	10.3
185.13229	8.7
197.92679	20.1
200.92067	2.0
213.16454	3.1
215.82924	2.7
224.41541	2.2
231.21062	2.5
241.19557	10.8
259.20529	42.9
277.21466	3.5
277.89319	17.2
305.92566	3.2
333.24002	4.6
351.25195	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42259	1.3
52.66798	1.3
53.00288	3.5
53.03939	3.4
53.93578	1.4
55.01620	1.4
55.01857	5.6
55.05505	34.7
57.03165	2.5
57.03428	31.6
57.07059	6.4
61.23155	1.2
67.05492	100.0
69.07056	27.7
71.04976	6.7
71.08616	75.0
73.24760	1.5
79.05476	71.0
81.03398	17.3
81.07038	77.7
83.04962	17.2
83.08604	14.8
85.06509	5.5
91.05456	53.6
91.53763	1.4
93.07023	91.8
95.04950	30.3
95.08578	54.7
95.15562	1.6
97.06499	14.8
97.10183	2.5
99.08063	31.1
105.04492	2.1
105.06996	31.8
107.04942	10.6
107.08570	34.9
109.06483	7.2
109.10141	18.7
111.08047	3.1
113.09608	3.1
117.06989	8.9
119.08551	29.3
121.06483	2.8
121.10120	27.8
123.08046	2.4
123.11704	2.4
127.11185	2.1
129.06902	2.1
131.08559	3.4
133.10098	19.8
134.99683	2.0
135.11691	29.8
137.09584	6.5
139.11244	2.1
139.46104	1.6
141.09038	2.5
143.08543	3.4
145.10121	7.5
147.11693	9.6
149.13239	7.9
151.11180	29.9
153.12741	2.5
159.11693	2.9
161.13197	8.7
163.11186	14.1
163.14835	1.9
165.12752	2.5
171.11700	2.4
177.12729	2.3
179.14282	83.0
183.82265	1.5
185.13281	2.8
221.15337	2.5
235.16769	3.0
249.11020	1.8
277.21539	39.2
351.25223	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.17801	1.0
55.01864	2.1
55.05503	18.6
57.03426	10.6
57.07057	2.6
65.03931	1.5
67.05497	48.2
69.07067	15.7
71.04989	1.9
71.08627	1.7
76.56685	1.1
79.05481	81.3
81.07044	44.7
83.04983	1.7
83.08607	7.1
90.62923	1.1
91.05470	67.9
93.07029	100.0
94.78796	1.1
95.04951	11.2
95.08585	33.9
97.06519	1.6
97.10148	1.8
99.32597	1.1
103.05425	1.6
105.04478	1.6
105.07017	63.3
107.08586	51.2
109.06498	2.5
109.10160	10.2
111.08081	1.2
116.98732	1.2
117.07015	13.7
119.08566	45.9
121.06542	1.4
121.10130	28.0
123.11704	2.1
129.06995	8.7
131.08553	21.4
133.10110	38.9
133.11034	2.1
135.11668	25.6
142.07791	1.3
143.08539	12.7
145.10136	15.4
147.08061	1.2
147.11670	30.6
149.13237	14.1
151.11160	1.9
157.10130	8.2
159.11679	10.8
161.13216	17.5
163.11208	1.9
163.14766	4.8
171.11681	8.3
173.13260	7.0
175.14790	8.8
185.13243	8.4
189.12753	1.4
199.14784	2.9
213.16496	1.3
215.18222	1.3
231.21182	2.2
241.19522	17.6
259.20514	40.4
271.59784	1.2
277.21619	6.6
318.35510	1.3
333.24118	1.7
351.25168	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20076	1.6
53.03933	3.3
54.81404	2.2
55.05508	15.8
55.47895	1.6
57.03419	9.0
65.03912	2.8
65.44618	1.8
67.05494	45.1
69.07056	16.1
71.04984	2.1
79.05059	3.8
79.05482	86.7
81.07043	58.7
83.04989	2.3
83.08601	3.7
85.06503	2.4
91.05460	66.4
93.07026	100.0
95.04950	9.7
95.08600	29.7
105.07014	73.8
107.08585	60.8
107.13570	2.5
109.10148	12.5
109.91481	2.8
117.07010	17.5
119.08561	52.3
121.10123	32.2
129.06979	9.2
131.08562	18.8
133.04326	2.0
133.10126	33.5
135.11652	25.3
139.66916	2.1
143.08548	11.4
144.00822	2.1
145.10097	17.5
147.11671	30.5
148.95412	2.1
149.13213	15.2
157.10159	10.0
159.11694	11.2
161.13242	13.9
171.11671	4.7
173.13234	11.4
175.14861	10.3
185.13229	8.7
197.92679	20.1
200.92067	2.0
213.16454	3.1
215.82924	2.7
224.41541	2.2
231.21062	2.5
241.19557	10.8
259.20529	42.9
277.21466	3.5
277.89319	17.2
305.92566	3.2
333.24002	4.6
351.25195	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.9
56.70992	1.9
56.96569	2.9
57.03418	2.8
57.07072	3.6
64.02363	2.4
65.77441	2.2
67.05492	57.1
69.07045	20.3
69.67903	2.3
72.72958	2.4
79.05474	83.9
81.07039	52.7
82.92200	2.3
83.08609	3.6
89.84071	2.4
91.05463	89.9
93.07030	97.9
93.07628	3.6
95.04961	11.4
95.08588	29.5
97.06503	3.8
99.08062	4.5
105.07016	100.0
107.08586	49.2
107.81789	2.3
108.19592	2.7
109.06483	3.5
109.10162	5.5
110.15894	2.6
117.07001	23.6
119.08560	77.5
121.10130	31.7
128.06206	2.8
129.06993	16.9
130.07709	2.3
131.08565	23.7
133.10095	49.2
135.11661	25.0
138.85042	2.2
143.08546	17.2
145.10072	21.1
147.11646	38.9
149.13235	13.2
157.10120	14.8
159.11690	17.0
161.13219	36.5
168.18837	2.9
171.11690	13.5
173.13242	11.2
175.14780	12.1
185.13300	11.8
189.06113	2.7
230.55356	2.5
231.20984	2.8
236.33482	2.6
241.19415	26.7
259.20529	65.4
269.10526	5.6
286.18616	2.9
287.11475	5.2
291.61517	2.8
316.32568	2.8
333.24252	3.6
351.17389	3.4
351.21280	20.8
351.25296	43.7
352.31369	3.0
368.08722	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	351.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10884	11.5
56.69643	15.7
59.13634	14.7
67.05502	23.6
79.05469	24.6
81.07021	26.3
83.08592	21.5
91.05480	99.0
93.07045	95.8
95.04942	21.6
105.07021	100.0
107.08582	63.7
109.10099	28.1
111.08052	17.8
117.07008	29.7
119.08562	85.3
121.10149	84.3
129.07030	17.7
131.08588	77.9
133.10097	27.5
135.11700	22.9
137.05997	21.0
143.08629	21.3
145.10123	76.4
155.08492	26.9
157.10181	37.6
159.11671	27.0
167.08507	18.7
169.10213	18.4
187.14780	21.9
197.13414	21.3
372.35580	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05506	24.5
56.29658	1.4
57.03417	7.8
57.07053	1.9
57.58500	1.6
67.05493	44.7
69.07062	16.8
70.75681	1.6
71.04953	2.0
75.04445	2.0
79.05470	76.1
81.07040	46.7
83.08610	8.1
85.06570	1.9
91.05464	91.6
92.02113	1.7
93.07024	100.0
95.04935	4.7
95.08585	38.6
97.06419	2.1
97.99792	1.9
105.07015	85.1
107.08575	49.6
109.06483	2.5
109.10140	12.7
117.07008	22.7
119.08571	64.2
121.10139	29.3
121.55878	1.8
129.06982	11.7
131.08546	26.6
133.10115	40.1
135.11667	24.3
138.82410	1.8
142.07709	2.2
143.08588	13.9
145.10117	19.3
147.11652	28.9
149.13298	15.1
157.10101	11.4
159.11673	13.3
161.13251	24.1
163.14742	1.9
171.11674	12.3
173.13200	2.9
175.14830	9.3
185.13214	11.4
187.14738	2.3
199.14830	9.3
231.20949	6.8
241.19440	22.4
259.20538	58.3
350.53082	1.9
351.25320	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.05503	22.5
57.03422	11.7
57.07055	6.8
61.02894	1.6
67.05499	40.4
69.07060	15.4
70.30344	1.5
71.04962	2.1
79.05473	82.6
81.07039	52.0
83.04956	3.2
83.08598	8.6
85.02937	1.6
85.06526	2.2
91.05458	76.0
92.08667	3.9
93.07022	100.0
95.04957	11.4
95.08591	33.8
97.06483	3.3
101.32737	1.7
104.68646	1.5
105.07011	70.8
107.08575	54.2
109.06510	4.1
109.10138	10.7
117.06989	14.7
119.07722	2.9
119.08556	55.4
121.10117	30.9
128.06128	1.9
129.06969	11.3
131.08539	24.9
133.10107	31.1
135.08049	1.9
135.11659	27.3
143.08531	11.1
145.10155	15.2
147.11671	30.3
149.13255	14.9
157.10110	10.4
159.11658	13.6
161.13263	20.6
163.14841	3.2
171.11659	9.9
173.13257	4.1
175.14835	10.6
177.12764	2.2
185.13206	10.8
187.14772	2.3
199.14818	6.8
220.66867	2.1
231.20993	2.4
241.19484	22.4
254.35074	1.9
259.20526	44.2
277.21490	6.3
286.76651	2.1
333.24252	2.4
351.25201	39.6
353.73138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.72181	1.8
59.39412	1.8
67.27411	1.7
69.03372	1.9
70.92697	2.0
77.94424	2.1
79.05494	3.2
81.07044	4.5
91.05503	2.8
93.07036	3.5
97.02840	2.4
98.23830	1.9
105.07042	2.7
110.95950	2.0
116.98628	3.4
169.36349	2.3
191.87463	2.4
204.57692	2.1
219.21118	2.2
231.79037	2.0
327.43320	2.2
351.21381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	10.2
58.36463	6.0
65.38303	7.0
67.05486	18.9
69.07039	14.1
73.91648	7.1
74.96200	9.0
79.05470	33.4
81.07024	36.1
88.17476	7.4
89.47978	7.1
91.05435	57.3
93.07013	61.6
95.04967	13.7
95.08585	41.5
105.07014	100.0
107.08579	54.2
109.10152	34.0
111.08054	10.2
117.06962	11.5
119.08538	61.1
121.06461	7.3
121.10101	74.6
123.08000	8.9
129.07010	18.3
131.08517	57.8
133.10129	42.5
135.11693	9.4
136.13120	10.0
137.05937	18.6
141.06976	9.4
142.07753	16.9
143.08528	39.5
144.09329	16.3
145.10130	67.5
147.08034	10.7
156.09341	11.3
157.10098	47.9
158.10823	14.8
159.07959	10.0
159.11670	61.1
169.10094	16.4
171.11661	35.0
181.10046	14.9
182.10898	9.4
183.11751	9.7
184.76167	8.3
185.13219	16.0
187.14745	10.6
189.91261	7.5
193.10037	9.0
195.11720	10.1
197.13252	19.4
209.13245	12.9
223.14687	8.3
265.19617	11.4
351.23102	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2013
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.00306	2.0
53.03939	1.3
55.05502	8.5
57.03429	1.8
57.07062	1.1
59.05000	6.0
67.05490	1.7
69.03404	1.9
69.07059	16.1
71.04604	1.7
71.04979	36.8
73.06541	12.0
79.05477	12.7
81.03384	0.9
81.07042	59.8
83.04989	1.0
83.08622	1.8
85.02902	10.4
85.06596	1.3
85.27583	0.8
91.05474	6.0
91.47100	0.8
93.07027	34.0
95.04984	1.7
95.08572	6.8
97.02896	1.4
97.06509	6.7
105.07028	1.8
107.07865	1.5
107.08589	30.0
109.06525	1.0
109.10135	6.2
111.04432	1.4
111.08053	1.7
119.52098	0.9
122.06137	0.9
122.77798	1.1
125.13187	0.9
130.52037	0.8
135.11681	43.5
135.12666	1.9
145.04959	1.7
153.05516	1.4
153.09120	1.7
153.12730	100.0
154.05762	1.3
154.09488	1.1
185.04245	1.3
189.05206	6.9
320.25739	1.1
351.10419	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36567	0.4
53.00300	1.2
53.03016	0.5
53.03938	1.3
54.21009	0.4
55.01857	0.6
55.05504	6.7
56.96553	1.1
57.03428	1.2
57.07064	1.2
59.04987	3.7
61.02912	0.9
62.09530	0.4
65.03954	0.7
67.05485	3.9
69.03416	4.4
69.07055	15.2
71.04979	35.1
73.06544	12.2
75.96986	0.6
79.05478	11.7
81.03403	1.1
81.07043	55.3
83.04960	0.7
83.08612	4.1
85.02888	11.0
85.06526	0.8
85.65667	0.5
87.15798	0.5
91.05463	4.5
93.07028	33.7
95.04951	1.3
95.08591	7.2
97.02859	2.2
97.06526	3.4
104.94418	0.5
105.07018	3.8
107.08581	28.4
107.09299	1.2
109.02898	1.1
109.06515	2.1
109.10149	6.2
111.08077	1.2
112.62872	0.5
119.08630	0.9
125.13339	0.6
127.03908	2.7
129.09109	0.9
135.11673	47.5
136.12036	0.9
137.05984	1.1
153.12729	100.0
155.10716	0.6
163.04039	0.6
163.06029	0.6
169.61772	0.6
242.03506	0.7
248.69788	0.6
274.12820	0.6
287.10229	0.7
315.44394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61003	0.2
59.91298	0.1
59.96790	0.1
65.03937	0.7
74.34249	0.1
91.05460	14.1
119.04919	40.1
130.06496	0.3
132.08058	0.6
145.25653	0.1
146.05988	0.2
147.04388	100.0
148.04669	0.3
159.09116	2.2
188.07008	0.7
246.17282	0.1
251.22710	0.1
358.84836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
55.74138	0.4
56.96560	0.4
65.03904	0.6
69.03404	0.5
69.07047	0.4
70.06599	3.2
81.07056	0.4
91.04880	0.6
91.05464	15.5
92.09307	0.9
97.02867	0.4
98.97549	0.5
102.09173	0.6
107.04913	0.4
119.04929	39.9
121.86892	0.5
134.74623	0.4
145.10110	0.5
147.04399	100.0
159.09167	1.7
164.06888	0.5
164.47745	0.4
200.20168	0.5
233.54726	0.4
240.46286	0.4
244.22702	2.5
245.22943	1.0
288.25467	0.5
323.34216	0.4
350.28979	4.3
351.29294	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.7
53.03940	1.0
54.22105	0.6
55.01862	0.8
55.05505	7.5
55.08237	0.6
57.03420	1.5
57.07061	1.0
59.04975	3.2
61.02913	1.0
62.82858	0.6
64.33351	0.7
67.05478	4.1
67.70065	0.6
69.03403	3.1
69.07056	15.2
71.04977	33.2
73.06537	10.6
75.44087	0.6
79.05477	14.1
81.03375	1.1
81.07040	62.3
83.04969	1.1
83.08599	5.2
84.04507	1.0
85.02892	12.1
85.06512	1.4
91.05463	6.7
92.26268	0.7
93.07024	32.3
95.04951	3.0
95.08586	7.3
97.02857	1.2
97.06489	3.5
105.07001	1.2
107.08582	25.6
109.06496	2.8
109.10144	6.8
111.04425	3.4
111.08070	1.3
112.04794	1.1
117.37767	0.7
119.08571	0.8
127.03892	1.4
127.07458	0.9
135.11673	40.4
153.05371	1.6
153.12724	100.0
154.05777	1.5
163.03896	0.8
171.10091	0.8
171.13753	1.0
185.04193	1.3
189.05142	5.7
203.05196	0.8
258.57898	0.7
351.10422	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	350.2324
Annotation	AMD 070
Peak:m/z	Relative Intensity
53.03932	0.9
53.37842	0.7
55.01864	1.9
55.05507	29.3
56.96545	1.0
64.32774	0.8
67.05495	6.4
69.03430	1.7
69.07045	1.5
69.23003	0.7
79.05479	9.5
80.04986	0.8
81.07043	7.5
83.04954	1.7
83.08608	12.4
91.05453	4.2
93.05784	1.5
93.07019	4.9
94.06542	9.3
95.08597	4.2
96.08125	1.4
97.10153	16.9
97.39919	0.9
105.07021	0.9
106.06514	1.6
107.07429	0.7
107.08594	5.9
108.08123	9.4
110.09676	3.0
117.06961	1.9
118.06554	1.5
119.08563	1.5
120.08079	8.4
124.07565	12.6
125.09592	7.1
126.09142	3.2
132.08076	4.6
133.08858	4.4
133.33940	0.7
134.09674	5.7
135.10410	1.8
136.07559	1.6
136.11252	0.9
137.08379	3.1
138.09117	46.9
146.09653	3.3
147.10445	1.4
148.11171	6.7
150.09166	6.0
152.07031	1.3
160.11177	1.9
162.09160	1.2
162.12762	11.1
164.10641	7.2
165.11398	1.1
166.12228	1.1
176.10637	3.0
178.12250	9.4
179.13046	1.9
180.13789	27.4
189.11357	1.2
194.11818	0.8
204.13899	1.1
215.12680	1.8
232.16934	1.1
244.16733	1.0
262.18045	1.9
278.17349	4.8
290.17444	4.6
308.18518	11.6
314.21048	3.6
332.22159	27.6
336.99930	0.9
349.35333	0.8
350.23181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62533	0.2
53.03937	0.3
55.05511	2.3
55.79646	0.2
57.07055	0.5
59.04988	0.2
60.51104	0.2
61.02906	0.3
67.05486	0.5
69.03404	0.5
69.07063	1.8
71.08562	0.2
73.02888	0.2
74.66756	0.2
79.05476	5.5
81.07030	1.3
85.02894	2.0
88.10921	0.2
89.43719	0.3
91.05463	4.6
92.08621	1.3
93.07028	28.7
95.04951	1.1
95.08585	1.9
97.02863	0.5
97.06500	0.5
105.07019	3.1
107.08585	44.5
109.06502	1.9
109.10130	0.4
111.08065	0.4
119.06074	0.3
119.08585	2.8
120.09395	0.4
125.09386	0.2
127.03871	0.4
133.10130	0.4
135.04486	0.4
135.11681	100.0
145.04865	0.4
153.12715	3.3
163.03874	1.0
180.08733	0.3
312.73114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
54.81791	0.7
55.01860	5.4
55.05510	1.0
57.03431	8.4
57.07064	1.6
59.04989	7.7
60.58297	0.8
61.02916	14.5
62.00023	0.7
67.05494	8.1
69.03420	22.0
69.07057	9.2
71.01297	0.7
71.04974	4.8
73.02895	5.3
73.06541	1.2
79.05473	3.4
79.32715	0.7
81.03396	9.9
81.07039	12.5
83.08607	0.8
85.02891	100.0
87.04468	3.7
91.03943	4.6
91.05432	1.8
93.07024	17.0
95.08585	87.9
97.02872	24.9
97.06525	7.6
99.04456	4.2
103.80722	0.9
105.07086	1.2
106.04417	1.1
107.08585	29.4
109.02874	7.9
109.10143	31.9
119.08575	1.0
123.11712	1.3
125.13186	1.6
127.03896	19.1
131.08537	1.1
135.11674	32.8
145.04947	20.6
153.12723	68.4
157.46655	1.0
163.05977	4.5
171.10088	0.8
173.04434	5.5
179.54494	1.0
191.05513	3.1
297.16788	1.2
315.18118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82220	2.0
55.05502	4.2
56.96574	2.4
57.03418	2.6
57.07071	9.1
61.02914	9.5
67.05483	11.2
69.03419	11.2
69.07061	5.7
71.04979	78.7
72.08111	2.5
73.02911	3.0
79.05486	13.8
81.03383	2.2
81.07043	100.0
83.08609	3.9
85.02414	4.4
85.02894	71.6
85.06061	2.9
85.06528	29.4
86.09691	3.7
90.75436	2.0
91.05466	10.2
93.07028	59.0
94.06567	3.6
95.08585	29.7
97.02903	17.3
97.03414	2.2
97.06522	9.5
105.06990	4.9
107.08581	54.0
109.02863	4.3
109.10175	9.4
117.06989	2.9
120.08098	9.8
125.05950	3.2
127.03902	14.8
133.05009	2.4
135.11676	46.6
137.13243	26.0
145.04977	11.9
153.09079	3.6
153.12752	11.1
171.13821	2.5
194.04504	2.7
195.03253	3.8
202.67912	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05494	5.2
64.41116	2.2
67.05490	3.5
68.01547	2.1
69.07049	13.3
75.33532	2.3
81.07045	13.0
83.08621	3.2
93.07012	4.6
95.08597	10.5
105.06994	3.6
107.08545	5.6
109.06499	18.4
109.10193	4.8
112.29601	3.3
121.71746	2.7
123.08048	100.0
133.10103	4.0
135.08066	4.6
137.09644	3.7
153.88518	3.0
179.14355	3.1
275.20358	2.7
293.21075	23.5
329.03589	2.9
331.11752	2.7
349.27362	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.8
53.03937	4.6
55.05500	14.8
60.74759	2.6
67.05502	31.9
69.07051	17.2
71.04977	5.3
71.90169	2.7
74.02744	2.5
77.85708	3.3
79.05466	41.7
81.07050	35.2
81.35403	2.6
81.39152	2.6
91.05468	66.0
91.55661	2.5
92.08661	9.7
93.07026	87.6
95.04937	25.3
95.08606	29.6
97.06529	10.4
103.05434	3.6
105.07005	100.0
105.07657	4.9
106.07872	2.6
107.08578	48.5
109.06514	11.6
109.10139	27.5
115.05409	5.0
117.07007	21.6
119.08558	96.2
121.06501	3.8
121.10126	56.5
123.08029	3.7
123.11648	3.3
126.30560	3.1
128.06232	15.1
129.06978	17.6
130.07805	6.9
131.08553	56.0
133.10092	41.2
135.11707	6.5
141.07010	4.4
142.07755	16.5
143.08519	36.3
144.09312	6.5
145.10089	48.5
146.07205	6.0
147.08069	11.3
147.11693	14.8
155.08562	11.8
156.09361	11.2
157.10092	36.9
159.11690	13.8
161.09578	15.4
161.13200	3.2
167.08603	4.6
168.09276	3.6
169.10115	18.7
171.11676	5.0
173.13249	15.5
179.08519	10.2
181.10126	5.7
182.10876	5.4
183.11685	6.1
185.13205	10.1
187.14771	5.2
194.10802	3.9
195.11551	9.6
196.12425	2.9
197.13280	5.2
199.14758	5.9
209.13266	16.5
211.14862	6.2
223.14795	3.0
314.60361	3.2
338.00513	3.0
349.25235	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	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53254	3.0
53.03940	4.9
55.05510	21.2
57.07071	5.3
67.05489	42.2
69.07063	20.2
79.05486	42.1
79.37998	3.8
81.07048	43.4
83.08604	4.3
88.52966	4.5
91.05449	59.4
92.09292	4.8
93.07024	66.2
95.04963	23.0
95.08598	50.0
97.06519	5.8
103.05450	8.0
105.07019	100.0
107.08582	50.9
109.06505	6.5
109.10161	26.2
109.69929	4.0
117.06998	23.4
119.08569	62.6
121.10130	56.7
123.08092	7.4
123.11723	6.5
123.69530	4.1
128.06241	7.8
129.06978	26.3
130.07768	6.6
131.08556	40.3
133.10139	41.9
135.11714	6.4
142.07771	21.0
143.08557	36.3
144.09381	8.4
145.10124	45.3
147.11684	8.8
149.09660	4.6
155.08568	8.5
156.09334	15.2
157.10089	36.6
159.11713	10.2
161.09587	7.0
161.13210	8.7
165.06941	7.4
169.10179	4.9
171.11723	10.1
173.13237	10.2
175.14706	5.9
179.08470	8.5
181.10054	8.2
182.10948	5.0
185.13174	7.1
187.14839	6.2
194.10953	6.1
195.11691	6.4
197.13301	4.7
199.14935	7.0
202.95619	5.2
203.40288	4.7
209.13283	9.4
209.71432	5.1
227.14291	5.9
241.94977	4.7
265.19434	4.9
281.90549	4.4
349.25156	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64452	8.9
54.82104	9.3
55.01873	10.3
55.05500	17.9
56.96566	20.9
57.03428	19.6
67.05498	58.4
69.07051	23.0
79.05486	79.7
81.03406	11.1
81.07036	100.0
91.05477	45.3
92.64967	9.4
93.07030	75.2
94.79794	10.7
95.04953	18.7
95.08567	21.8
97.06519	9.9
98.97611	12.4
105.07022	55.1
107.04944	14.3
107.08596	37.9
109.06516	24.4
109.10119	13.2
117.07037	18.9
119.08552	44.5
119.90176	9.6
121.06506	12.5
121.10089	14.8
131.08565	22.9
133.10109	21.6
135.11684	12.5
143.50139	9.3
159.11691	11.4
218.03897	10.7
238.04562	9.4
257.18893	11.5
263.08514	9.2
267.43048	10.8
275.19913	91.7
285.10052	11.7
349.19821	19.4
349.23862	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14158	1.6
52.48542	1.4
53.00287	1.8
53.03924	2.1
54.34389	1.8
55.01869	13.7
55.02085	1.6
55.05506	28.7
57.03222	1.7
57.03432	29.7
57.07056	2.7
65.03922	2.4
67.05496	57.6
69.03445	2.4
69.07061	32.3
74.29451	1.5
74.97924	1.7
75.78751	1.8
79.05058	3.0
79.05479	53.1
81.03407	3.0
81.06595	3.0
81.07041	65.3
83.04990	13.7
83.08607	4.5
85.02881	1.9
85.06490	2.6
91.04951	3.1
91.05467	52.1
91.29323	1.7
93.07027	64.2
95.04955	23.8
95.08591	41.1
97.06509	4.5
105.07018	46.3
107.04939	20.6
107.08582	38.5
109.06487	19.1
109.10130	10.7
111.08089	3.4
117.06994	18.1
119.08569	26.6
119.15456	1.7
121.06483	24.7
121.10111	16.3
123.08041	8.8
123.11642	2.4
129.06964	4.0
131.08553	30.1
133.10097	26.4
135.08015	9.8
135.11661	10.5
135.31511	1.9
137.09610	2.7
143.08478	2.5
145.10141	17.3
147.08098	2.7
147.11644	15.6
149.09586	8.9
151.11159	3.8
155.08559	3.8
157.10127	2.7
159.08115	3.4
159.11658	7.6
161.09605	3.6
161.13245	3.7
163.11113	10.5
170.64255	2.1
173.09584	3.8
173.13158	8.1
173.94989	1.9
175.11172	3.5
177.12704	3.0
178.38063	1.9
187.14771	2.7
191.14154	1.9
192.25885	2.1
201.12740	2.5
219.13713	3.7
247.20454	3.4
257.18945	13.4
275.20010	100.0
293.20984	3.7
336.79373	2.0
349.19833	9.1
349.23666	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81708	2.6
55.01862	6.6
55.05502	34.1
56.96551	16.7
57.03426	35.5
62.31602	2.7
62.46412	2.9
67.05493	44.9
69.03412	4.8
69.07055	43.4
73.62256	2.9
79.05477	42.8
79.73004	3.2
81.06599	3.6
81.07041	72.5
83.04961	15.0
83.08591	4.2
87.33502	3.1
91.05453	52.7
93.07021	57.8
95.04944	20.8
95.08601	35.3
97.06470	4.0
105.06998	43.6
107.04929	16.3
107.08588	30.8
108.25436	3.2
109.06493	19.8
109.10139	15.6
117.07005	18.8
119.08551	29.9
121.06476	22.5
121.10101	15.7
123.08060	7.9
123.11698	4.8
129.06934	6.2
129.17435	3.3
131.08548	27.5
133.10106	31.8
133.11020	3.6
135.08041	6.1
135.11676	7.8
143.08530	5.0
145.06456	6.0
145.10106	23.8
147.11667	16.8
149.09563	5.4
149.13251	4.7
151.11075	4.3
159.11690	7.3
161.09520	3.9
163.11105	4.4
173.13203	7.0
191.14220	5.5
213.16119	3.3
229.07404	5.7
231.09087	5.1
247.08495	7.4
257.18921	12.3
258.90576	4.3
275.20010	100.0
293.21222	4.5
349.17108	13.7
349.23654	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	27.7
55.01867	21.8
55.05512	34.7
56.96542	4.1
57.03425	26.7
58.71082	4.0
59.60885	3.7
67.05493	94.8
68.96026	4.5
69.07056	66.4
70.97493	4.2
79.05482	73.3
79.76535	4.4
81.03407	40.6
81.07041	96.8
83.04972	19.6
83.08614	8.6
84.10880	3.9
91.05463	76.0
92.28542	4.0
93.07030	81.0
95.01320	41.2
95.04954	24.9
95.08573	61.4
97.06525	24.1
105.07016	100.0
107.04935	65.6
107.08591	28.8
109.06491	4.9
109.10170	9.4
117.06992	24.5
119.08575	46.1
121.10049	6.1
123.08042	4.6
123.89481	4.5
125.87214	4.4
131.08577	24.1
133.10133	42.3
135.11656	8.9
145.10141	18.0
147.11668	10.9
149.09656	7.6
159.11702	19.8
173.13216	4.9
179.14294	21.4
187.11179	5.0
275.20071	42.0
338.65326	5.3
349.23645	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81731	19.1
55.01878	21.3
56.96546	30.0
58.54572	21.3
67.05499	35.6
79.05460	29.3
79.89235	23.3
81.07031	47.0
84.35950	19.2
91.05453	100.0
93.07019	29.2
95.08628	34.3
102.79162	20.5
107.04968	22.1
117.07008	25.1
134.44431	22.6
134.99591	24.8
136.84583	21.6
158.15352	24.3
192.29524	22.1
349.17331	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
56.96537	1.7
57.07050	0.7
59.17084	0.7
67.05493	1.6
78.13731	0.7
79.05452	1.7
81.07040	1.9
91.05461	1.9
103.64074	0.9
105.07008	1.2
109.06516	1.1
109.10139	1.2
117.07045	0.7
121.23730	1.0
221.11432	3.7
223.98381	0.8
251.12585	1.8
281.80139	0.8
349.19797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
54.53667	0.7
56.96543	3.5
57.03431	0.9
61.02896	0.7
67.05499	1.7
73.02893	1.3
81.03419	0.9
88.85757	0.8
91.05467	1.2
93.07019	1.3
94.31098	0.9
96.42336	1.0
107.08579	1.2
145.03999	0.9
157.93178	0.8
207.02950	1.0
216.77769	0.8
221.11514	4.9
251.12544	3.7
267.08981	1.5
285.10046	7.8
286.10446	0.9
349.19809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32786	8.3
56.46897	8.1
56.96555	38.0
58.75597	9.4
59.09991	9.2
67.05482	12.0
79.05463	16.3
81.07032	25.6
84.19031	11.4
91.05424	11.3
92.08671	46.7
95.08597	12.4
100.62779	10.9
105.07004	19.3
115.35763	11.1
129.18250	10.3
137.05966	100.0
138.06294	72.2
285.10016	18.4
349.17584	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1773
Annotation	Imidocarb
Peak:m/z	Relative Intensity
55.05493	15.6
56.96542	22.8
67.05502	16.7
72.44637	18.0
79.05461	20.8
86.19823	18.2
91.05476	32.2
92.26780	18.3
134.86841	20.8
137.05904	38.4
138.06328	32.4
145.10117	20.7
159.48410	23.5
179.48126	19.0
205.73389	19.7
349.17566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00101	0.9
64.45531	1.1
67.03736	1.4
110.34834	1.1
134.00198	1.0
146.26454	1.3
165.95100	1.1
169.06851	1.3
187.07907	1.6
228.11008	1.1
273.05774	26.5
273.08411	1.2
288.08224	4.5
317.08408	51.3
331.09833	11.1
332.67502	1.4
349.05240	3.6
349.11163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.9
81.07029	2.3
83.04977	1.1
84.04477	4.1
85.02860	1.2
91.05419	1.0
93.07047	1.3
98.97552	1.0
109.06531	0.9
147.14337	1.1
177.39554	0.9
202.08905	1.0
349.08871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
56.96523	3.2
61.02902	6.2
65.03929	4.3
69.03404	17.1
69.60848	2.5
70.03760	2.8
78.92326	2.2
81.03407	29.6
82.03741	3.6
84.08161	3.8
85.02891	50.3
86.03226	11.0
93.03412	3.6
96.18918	3.2
97.02859	18.9
98.97562	12.0
98.98446	12.4
99.04413	3.2
101.00871	3.2
109.02837	4.1
111.04429	18.5
112.04765	3.9
119.01907	16.3
119.04940	3.9
123.04411	84.9
124.04747	31.8
125.05968	5.8
127.03864	5.1
133.03462	4.0
136.06177	71.2
137.06642	33.7
139.44554	2.7
140.07002	3.2
145.03404	4.9
146.99611	3.5
147.04427	15.5
148.04787	3.2
151.03868	16.1
152.04211	6.0
157.03394	4.0
161.02954	11.0
163.04544	4.8
166.04964	4.1
167.05310	5.0
168.05481	5.8
169.04965	40.9
170.05270	18.1
171.06274	3.7
175.04478	5.3
181.05574	5.6
187.05794	6.6
205.05556	81.5
219.01907	4.5
245.08693	13.4
256.22122	2.8
273.05893	5.0
281.06189	5.1
285.09277	3.9
313.08804	14.4
317.08453	13.1
331.09885	16.6
349.11484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0917
Annotation	Dryopteric acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.05501	6.1
63.46820	1.0
64.33687	1.1
65.03928	3.0
67.01851	5.2
67.05488	2.8
68.99792	2.3
71.48067	1.0
77.03912	2.1
79.05478	2.4
83.04984	2.6
84.18603	1.3
86.23838	1.2
89.03904	1.3
89.83559	1.1
91.05457	2.3
92.08708	2.4
93.03400	4.4
94.04183	2.4
95.04954	9.1
97.02848	1.6
99.04411	1.3
100.11246	10.0
105.03377	10.4
107.04932	4.5
109.06478	1.8
111.04431	67.6
116.35893	1.3
117.03387	2.0
121.02827	7.3
121.18341	1.1
122.03613	7.8
123.04412	4.3
125.02367	2.7
125.05970	6.5
127.02976	1.4
127.03909	45.2
133.02841	31.5
134.03603	7.0
135.04382	11.1
137.02306	8.0
137.05965	100.0
139.02814	2.5
139.03886	59.2
140.04689	2.0
149.02306	24.2
149.05969	4.6
150.03119	2.6
150.06755	2.4
151.03911	1.2
153.05444	5.0
155.03397	26.3
155.04752	2.9
163.03882	15.4
164.04716	7.5
165.01772	2.6
165.05438	1.7
166.02605	25.4
167.03378	33.5
167.04762	2.2
177.01865	11.4
177.05452	6.2
179.03389	2.0
180.04152	11.5
180.05508	1.4
181.04993	9.6
182.15421	1.6
183.04320	2.9
184.05161	1.8
187.07402	2.2
197.06001	2.3
199.03963	2.0
199.07510	1.5
200.04587	1.9
201.05380	1.5
207.02924	1.6
209.04416	5.0
210.14899	2.6
211.03883	1.7
214.06215	1.6
215.07036	4.8
225.03664	9.2
226.06223	11.6
227.06961	2.1
227.17551	1.6
228.04199	2.5
229.04956	2.5
237.02798	1.2
237.05400	5.5
241.08492	12.6
242.05762	6.0
243.06476	23.0
253.05002	6.4
257.04428	1.9
257.08102	3.0
269.08023	8.6
271.05975	31.0
272.06744	8.4
275.09036	2.6
281.04285	1.6
285.07605	6.2
303.08557	15.4
331.08060	53.1
349.09030	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	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72904	1.1
52.68037	1.0
53.03941	1.6
54.38520	1.2
55.01859	6.6
55.05506	39.9
56.50129	1.2
56.92036	1.1
56.96545	1.6
57.03432	13.1
57.07053	3.3
59.04982	5.7
61.02912	1.7
67.05494	100.0
68.47324	1.5
69.03409	3.2
69.06779	1.2
69.07061	21.2
71.04960	6.9
71.08616	18.7
72.47675	1.3
73.02900	1.4
79.05479	29.5
81.03371	1.7
81.07037	70.4
83.04961	6.8
83.08608	32.3
85.02892	1.9
85.06509	3.2
91.05470	18.9
93.07023	45.4
95.04940	6.7
95.08587	22.2
97.02827	1.7
97.06493	8.6
97.10155	20.0
99.08061	9.7
105.07037	11.8
107.08579	24.1
109.10145	81.3
111.08057	8.0
113.09599	1.4
117.06986	5.4
119.08555	15.3
121.10109	11.9
123.11668	3.1
124.79868	1.4
125.09603	15.4
131.08519	3.2
133.10104	11.2
135.08022	2.0
135.11681	10.4
137.09598	3.5
145.10126	1.9
147.11674	2.3
149.13252	16.9
151.11165	9.6
155.10667	13.4
159.11703	7.3
161.13249	3.3
163.03857	1.6
173.11697	74.0
173.13220	2.5
177.12708	3.1
179.14223	1.8
181.70207	1.3
189.11189	12.6
195.13802	20.2
213.14861	21.3
218.18910	2.5
255.09035	2.7
277.21585	26.6
295.22632	18.0
348.14938	1.8
348.25366	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	348.2531
Annotation	Dictysine
Peak:m/z	Relative Intensity
54.81673	2.1
55.05505	4.9
63.76408	2.3
67.05478	3.4
68.69020	2.3
69.07044	5.9
71.08616	30.5
76.50675	2.4
81.07035	5.0
91.05456	2.9
92.09376	5.3
94.06554	12.6
99.08072	11.3
107.08615	2.9
108.08072	3.4
120.08092	10.7
132.08072	6.0
134.09627	35.1
135.10469	4.6
136.11179	4.5
146.09673	5.3
148.11221	11.8
152.07082	12.9
160.11171	5.5
162.12778	12.0
174.12752	11.8
188.14333	11.1
204.17468	26.0
206.15334	3.2
208.13304	13.8
216.17476	11.5
246.18440	9.6
248.20087	5.7
250.18013	15.3
260.19919	9.4
266.52890	2.6
302.24716	49.8
306.20493	3.5
340.60593	3.0
348.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37101	1.0
55.45260	1.0
61.02926	2.7
65.03933	1.1
69.03426	6.5
75.80201	1.3
81.03426	2.4
85.02893	20.6
91.05451	19.7
95.04964	2.3
97.02889	7.3
107.04964	1.4
116.98595	1.5
116.99743	1.2
119.04912	18.0
119.05556	1.1
122.02805	1.2
123.04424	3.0
127.03927	2.7
136.05179	2.3
136.06120	2.9
137.02356	1.3
137.05968	7.2
140.89763	1.4
145.04987	2.8
151.03871	1.7
151.07523	100.0
152.07034	1.8
169.08601	3.0
175.07643	1.8
201.66747	1.3
229.08696	2.1
317.31082	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	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.78823	0.5
54.81360	0.5
54.81657	0.4
55.01859	0.7
57.03434	0.7
61.02916	2.3
69.03424	3.7
71.04984	0.5
75.68297	0.5
81.03392	2.2
85.02419	0.9
85.02893	14.1
85.67343	0.6
86.09685	0.6
89.03894	0.6
91.05473	0.6
97.02893	3.7
98.97555	0.6
105.07013	1.0
107.04943	100.0
109.02872	1.0
111.04419	2.2
117.03375	0.6
119.04929	0.8
121.06490	2.0
122.05989	1.9
123.04427	1.0
127.03909	2.2
133.06407	1.0
135.04349	0.6
136.06187	11.5
137.02338	2.3
140.07057	2.3
145.04953	1.8
147.04430	3.1
151.03928	0.7
151.07523	7.6
156.43832	0.5
159.85934	0.5
163.03886	3.3
164.04233	0.9
168.06523	1.8
169.05025	1.2
174.21860	0.5
177.00543	0.6
180.60780	0.6
186.07593	1.2
357.65366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74820	0.9
55.01847	1.4
57.03405	1.4
60.40048	1.0
61.02903	7.0
65.03609	1.4
65.03928	33.9
69.03420	10.3
71.04984	1.7
71.75086	1.1
81.03371	4.8
81.22516	1.2
85.02889	38.9
93.03380	45.0
97.02881	13.9
104.90564	1.4
107.04936	1.3
109.02856	2.0
110.03667	9.5
111.04426	70.1
118.87368	1.3
125.05974	59.9
127.03899	5.1
145.04942	7.1
151.03905	30.1
151.05077	1.8
169.04927	100.0
180.08614	1.9
183.24767	1.2
186.89136	1.3
258.54758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81796	0.9
56.91957	0.7
57.03419	0.8
60.05634	12.6
61.02923	3.9
65.03927	28.2
66.54280	0.7
69.03392	2.7
73.02893	1.1
79.05488	0.8
81.03391	3.6
85.02892	12.5
86.03545	0.9
93.03385	24.3
95.08617	0.8
97.02853	3.5
105.07005	1.3
106.01455	0.8
107.04960	1.0
107.08569	1.0
109.02900	1.1
110.03653	8.9
111.04424	86.2
111.05515	7.9
112.05889	1.3
113.07127	3.4
117.07024	0.8
123.04388	4.3
125.05971	53.6
127.03864	1.0
136.06200	1.3
137.05942	5.5
143.04985	1.3
145.04941	1.0
145.06488	1.7
150.05507	1.2
151.03883	23.5
151.05789	1.0
151.07484	3.4
169.04930	100.0
175.07541	3.7
193.22978	0.8
198.09874	3.4
199.10231	1.2
221.95717	0.7
229.08562	1.3
340.26212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.279
Annotation	2,3-Dihydroxypropyl 16-hydroxyhexadecanoate
Peak:m/z	Relative Intensity
50.10954	2.7
50.80974	2.6
55.05262	4.8
55.05509	77.3
57.03429	8.1
57.07074	51.0
58.07410	3.5
67.05505	25.9
69.07059	97.8
70.06580	16.0
71.08614	33.6
73.06569	4.2
79.05486	19.8
81.07051	53.8
83.04967	4.0
83.08609	61.1
85.06521	6.5
85.10182	16.2
88.07604	8.2
92.64233	3.4
93.07025	38.1
95.04897	3.4
95.08598	33.6
97.06525	20.2
97.10156	35.7
102.34459	3.3
107.08582	31.9
109.10155	18.9
111.08060	13.6
111.11765	5.1
111.78578	3.2
121.10131	31.5
123.11681	7.3
125.09629	7.5
127.57172	3.3
132.10202	17.2
135.11690	23.3
149.13232	16.8
150.11296	8.4
151.11620	3.5
163.14833	14.5
167.14349	4.2
207.94643	3.4
219.19228	3.3
219.21143	22.2
237.22137	25.7
255.23036	13.2
311.25699	7.7
329.26813	100.0
346.33264	5.9
347.33621	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03928	3.3
55.05504	7.4
58.18519	2.8
67.05491	21.2
69.03425	5.8
69.07049	5.1
71.04970	5.5
78.44255	3.1
78.63351	2.9
79.05486	34.4
81.07043	41.8
83.04965	5.6
83.16337	3.6
91.05476	49.7
93.07030	54.3
95.04976	13.8
95.08588	28.9
97.06532	8.4
101.12520	3.1
105.07007	56.3
107.04964	7.6
107.08595	35.6
107.95715	3.2
109.06520	17.2
109.10148	18.3
111.08013	3.9
117.06994	43.7
119.08566	53.8
119.87826	3.3
121.06457	27.1
121.10152	36.9
123.04415	6.0
123.08043	31.3
123.11700	7.6
124.08852	7.6
125.09630	44.9
128.06210	7.3
129.07013	22.4
131.08556	81.2
133.06432	3.8
133.10095	42.8
135.08041	27.9
135.11671	19.8
137.05933	7.0
137.09613	6.7
141.06953	6.1
142.07716	4.3
143.08557	43.3
144.09334	7.8
145.06499	21.0
145.10118	76.2
147.08066	39.8
147.11726	11.7
149.09625	17.2
151.11169	15.5
154.07748	15.3
155.08553	15.0
157.10117	20.8
158.07271	5.7
159.08080	25.9
159.11700	61.6
161.09593	24.0
161.13234	7.5
161.32249	3.2
163.11176	4.7
169.10112	31.5
171.08017	31.5
171.11644	8.2
172.08780	6.9
173.09619	65.7
173.13203	26.9
175.11165	15.1
177.09062	5.5
177.12779	4.2
181.10130	6.7
183.11684	7.0
185.09554	4.5
185.13196	6.3
187.11165	88.5
189.09059	7.0
191.10681	25.9
195.11708	16.1
196.12404	5.8
197.13274	7.9
199.11215	4.3
199.14906	4.9
201.12669	5.9
205.10402	4.6
205.12204	23.6
209.13316	15.4
211.11209	6.1
213.12613	12.5
213.16290	5.5
215.14323	4.4
223.14873	4.6
225.12733	4.8
237.12778	4.4
237.16414	5.8
239.14313	5.1
241.12283	3.8
241.15860	15.9
249.16130	4.3
253.15871	8.1
255.58800	3.4
265.19415	6.9
269.18970	6.4
271.17114	5.9
283.20602	5.1
293.18839	43.9
301.17661	3.8
311.01898	3.3
311.19974	90.8
329.21097	69.7
347.22089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.16299	0.5
53.05609	0.5
57.07072	0.7
58.26835	0.5
61.51339	0.6
63.09566	0.6
71.59785	0.5
80.31071	0.6
81.02305	0.5
91.05351	0.5
104.18390	0.6
157.53716	0.6
161.78156	0.7
189.14278	0.5
193.05032	0.6
194.91109	0.6
235.13087	0.8
237.17320	0.6
247.19864	0.6
249.14662	0.7
347.21848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07057	3.6
74.19388	1.5
76.38495	1.5
79.05493	1.5
88.07600	11.2
91.05464	54.2
116.98418	1.7
149.02368	2.3
162.87949	1.7
182.42914	1.6
185.07472	1.5
191.36354	1.6
193.04991	8.8
193.06607	1.5
197.37239	2.0
198.12784	2.3
244.62589	1.5
298.30969	1.9
299.31183	2.2
327.85281	2.0
346.33298	3.1
347.21881	100.0
347.33441	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	347.2213
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
51.63522	2.9
55.05496	13.4
58.67513	2.9
61.76927	2.8
67.05487	18.7
69.03416	3.5
69.07063	13.2
71.04982	3.8
75.71645	2.6
79.05484	26.2
81.07039	27.2
83.04965	3.7
84.24737	2.5
90.32323	2.9
91.05457	39.2
93.07023	49.0
95.04964	11.5
95.08590	18.0
97.06517	12.6
105.03334	3.5
105.07014	58.4
107.04961	4.0
107.08565	36.8
109.06523	19.1
109.10152	17.0
111.08034	4.9
114.38374	3.5
117.06991	35.0
119.08556	44.0
121.06507	17.6
121.10134	40.3
121.35310	2.7
123.08040	26.1
123.11680	3.4
124.08850	4.9
125.09599	46.8
128.06180	6.1
129.06993	16.2
130.07791	5.3
131.08540	66.4
133.06450	13.1
133.10130	25.0
134.03592	3.1
135.08003	22.8
135.11710	23.8
137.05928	29.6
137.09569	5.6
141.06992	14.4
142.07759	5.9
143.08536	36.2
144.09312	3.7
145.06464	16.7
145.10112	60.3
147.08051	33.7
147.11676	11.9
149.05840	4.6
149.09625	17.8
151.11185	6.6
153.06946	4.5
154.07777	15.4
155.08492	5.2
157.10114	22.2
158.07230	12.2
159.08064	24.8
159.11652	61.0
161.09602	18.0
161.13220	4.5
165.07063	5.5
169.10092	23.5
171.08028	32.7
171.11629	5.3
173.09595	58.4
173.13203	25.8
175.11063	3.6
177.09096	6.5
181.06482	3.9
183.11656	6.8
185.09573	7.6
185.13371	3.4
187.11159	76.4
189.09164	7.5
189.12683	4.6
191.10637	18.3
195.11691	7.3
197.09599	3.9
197.13210	5.6
199.11253	4.5
201.12695	4.6
205.12173	22.1
209.13208	5.3
211.14769	5.0
213.12767	5.9
223.14670	6.0
237.12723	4.7
237.16286	5.0
241.15793	4.9
251.14204	4.4
251.17944	5.0
251.38638	3.3
253.15836	11.9
255.09235	4.3
265.19446	4.0
269.18878	5.1
271.05963	3.5
287.11755	6.2
293.18921	39.3
311.20010	74.3
329.20999	72.3
338.11938	3.4
344.06345	3.2
347.18289	5.9
347.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.19450	0.4
56.15828	0.5
57.07052	2.4
58.33732	0.5
60.06265	0.5
64.46272	0.5
70.06570	3.2
72.11079	0.6
88.07623	4.2
92.08591	2.1
94.52843	0.6
97.73988	0.8
102.09142	2.3
161.60814	0.6
199.80490	0.7
207.42101	0.6
284.29437	3.9
285.29865	2.9
346.33084	6.1
347.21896	100.0
347.33377	5.8
348.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03903	1.1
55.01873	10.7
65.48385	1.0
75.58921	1.2
79.05439	2.5
90.23248	1.1
91.05465	4.7
92.09234	1.2
94.04179	1.9
95.04914	2.0
103.05480	1.3
115.69721	1.1
118.58556	1.0
121.06474	5.9
122.03632	11.2
135.04430	4.8
137.05962	91.4
138.05540	1.4
149.05942	2.6
152.06224	2.2
153.06938	11.8
160.03896	2.4
162.05531	1.6
163.03888	6.4
165.06944	1.8
166.69835	1.1
177.05396	2.6
178.04941	2.6
181.04953	3.6
181.06479	11.7
182.09669	1.5
185.07132	8.8
185.10754	2.4
186.09117	1.5
187.04991	4.9
196.05182	5.5
196.07649	1.4
199.08679	13.7
201.06577	7.6
201.10127	1.5
202.08580	1.3
205.06216	1.3
207.04352	4.5
209.10709	2.5
210.09113	2.5
211.07452	5.1
212.09419	1.7
213.06760	14.8
213.10483	10.8
223.08765	1.3
225.05272	1.7
226.07378	1.4
227.08197	17.4
227.11598	8.4
228.10385	2.0
229.09718	8.3
231.07539	8.7
235.03699	1.6
237.10110	7.9
238.08609	2.4
239.07442	2.1
241.04852	1.2
241.09756	15.4
245.09186	1.8
250.07283	2.4
255.07613	21.8
255.11198	18.1
257.09091	2.4
257.12939	1.5
259.07104	1.9
265.09659	11.5
266.08105	1.2
267.07571	4.8
267.11151	1.6
268.08942	1.1
269.04410	1.4
269.09161	17.7
273.08743	9.3
273.11734	1.1
275.13751	1.4
283.07623	2.1
283.10718	42.6
284.06729	1.5
285.07663	1.4
287.10248	1.9
293.09082	11.5
295.61523	1.3
299.09085	30.4
301.11789	7.5
311.10208	78.0
317.10181	7.6
319.13007	2.4
329.11240	91.7
347.12323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1826
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05500	1.9
55.53540	0.9
59.07520	0.8
61.02904	1.2
61.90818	0.8
67.05499	1.8
67.88599	0.8
69.07041	0.9
79.05469	1.7
81.07043	2.2
85.02867	0.8
91.05436	1.8
93.07017	3.7
95.04940	1.3
95.08610	1.7
97.02869	1.2
100.35148	0.8
105.07001	3.7
107.08557	1.6
109.02878	0.8
109.10108	1.9
119.08538	1.1
121.10133	1.2
123.05943	0.9
123.08051	1.0
131.08585	1.2
137.09517	0.8
137.35144	0.9
145.10089	1.6
151.07559	4.3
166.12811	0.9
171.11647	1.1
180.26152	0.8
211.13152	1.1
221.35388	0.9
269.12305	7.4
274.85651	1.0
347.18250	100.0
358.21124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1124
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03928	1.1
55.01876	1.3
58.37214	0.9
65.03950	1.7
66.96707	0.9
69.03386	1.0
76.29319	1.1
79.05467	2.2
80.01647	1.0
83.35900	1.0
83.52390	1.0
84.11402	1.0
85.02888	1.2
91.05457	16.3
93.06967	1.4
94.04156	2.5
95.04961	6.5
99.04462	1.2
102.04655	2.1
103.05437	1.2
105.07017	4.6
107.04968	5.7
109.06528	1.2
111.04482	1.3
119.04922	15.9
121.02935	1.6
121.06488	25.4
122.03629	12.3
123.04482	1.2
124.05165	2.1
130.04132	2.1
133.06493	1.3
134.03616	7.1
135.04361	12.7
135.30910	1.1
137.05956	100.0
138.13806	1.1
147.04399	17.6
149.05965	16.1
150.06741	24.5
151.03853	2.3
151.07581	4.5
153.06979	12.6
155.24837	1.1
158.97362	1.3
161.05957	2.0
162.06741	6.8
163.03885	5.1
165.05516	2.4
168.05609	1.4
175.03902	4.7
177.05379	2.0
178.02611	9.8
179.07019	1.9
181.04927	8.0
181.06474	13.8
182.07175	1.6
185.11635	1.5
193.04886	9.9
196.05144	4.6
197.05981	4.9
198.06599	1.2
198.89685	1.3
207.04512	1.6
211.07561	6.7
213.05400	2.2
213.08893	1.9
225.05511	2.0
231.60294	1.2
239.06879	2.3
241.08542	2.2
256.07364	1.6
267.06436	2.2
285.07547	1.4
297.07437	5.3
299.09082	31.2
302.07791	1.7
303.08578	1.7
311.09998	5.4
317.10071	6.6
329.10242	16.5
347.11829	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	347.1124
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03928	1.3
55.01870	1.4
55.05484	0.7
57.03422	1.0
58.41410	0.6
61.02921	1.0
65.03922	3.8
67.05473	1.2
69.03418	4.1
71.04971	1.3
71.81486	0.8
79.05467	4.2
81.03407	2.8
81.07044	3.0
85.02895	12.1
86.03220	1.7
90.88635	0.7
91.05466	28.0
93.03429	0.9
93.07043	3.4
94.04156	4.9
95.04950	11.1
97.02867	3.5
98.97525	0.9
99.04439	1.8
102.04646	1.6
103.05431	5.4
105.03331	0.9
105.06991	1.5
107.04934	7.0
109.02880	1.4
109.06525	1.5
111.04418	1.8
112.04189	0.8
119.01875	0.8
119.04120	1.4
119.04922	22.3
121.02870	1.1
121.06494	44.8
122.03619	11.5
122.06821	1.7
124.05186	5.9
125.05989	1.5
127.03928	3.0
129.25795	0.7
130.04121	1.2
131.04904	3.8
134.03622	10.2
134.04515	1.3
135.04413	22.8
137.05965	100.0
141.06938	0.9
145.04947	3.1
147.04410	22.3
149.02322	0.8
149.05969	26.3
150.06754	31.0
151.03889	7.3
151.04926	1.0
151.07506	3.7
152.06215	1.6
153.05623	1.3
153.06972	10.3
161.05969	4.3
162.05597	0.8
162.06715	6.2
163.03871	3.2
165.05510	2.8
165.06911	2.6
167.03387	1.3
168.05669	1.7
169.06477	1.1
170.07172	0.9
175.03900	4.8
177.05411	1.0
178.02570	15.4
178.04970	1.1
179.07071	1.9
180.05685	1.2
180.07770	1.5
181.04919	9.5
181.06491	13.0
182.07245	2.8
183.08044	1.4
184.05215	0.7
185.06024	0.9
185.07973	0.7
185.10016	1.1
193.04945	16.8
193.06531	1.4
196.05164	3.2
197.05968	2.7
198.06749	1.7
199.07535	1.0
207.04382	1.1
208.05333	1.2
209.05893	1.4
210.06732	1.1
211.07469	7.4
213.05470	1.9
213.09171	4.0
221.05952	0.8
224.04776	0.9
225.05437	1.4
225.09053	1.5
228.07855	1.4
239.07040	4.2
240.07820	1.8
241.04813	1.4
241.08519	3.1
251.09750	0.9
256.07181	1.1
257.08206	0.9
267.06512	1.7
269.04303	1.0
273.04300	0.7
273.11279	1.1
285.07541	1.4
297.07584	5.0
299.09061	28.6
300.86874	0.9
303.08344	1.1
311.09091	1.3
317.10129	5.5
329.10126	13.8
333.08624	0.7
347.11340	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0946
Annotation	raclopride
Peak:m/z	Relative Intensity
59.41375	0.6
59.89660	0.7
68.56104	0.7
74.72224	0.7
128.35683	0.7
141.90088	0.7
215.02370	0.8
230.36163	0.8
233.94023	0.8
245.06331	3.8
315.06866	24.4
347.09470	100.0
348.10031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26171	0.9
69.03402	4.5
74.18238	0.9
77.37572	1.0
81.03397	4.6
81.11855	0.9
84.08110	1.1
85.02893	1.2
90.03788	0.9
92.08682	1.5
98.97578	1.3
98.98287	0.9
107.04921	2.0
108.34222	0.9
136.06149	1.8
142.59593	0.9
147.04463	1.1
148.03935	4.2
149.04265	3.7
166.04950	7.3
167.05275	5.1
171.50392	1.1
184.06012	1.6
185.04167	1.3
185.06328	1.6
204.11238	1.0
225.26147	0.9
245.06230	5.3
258.28027	1.2
315.06805	55.0
315.10477	2.0
347.09451	100.0
354.46542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.2
53.40654	0.9
55.01863	1.3
57.03428	6.7
57.41562	1.0
59.04971	1.2
61.02914	12.5
69.03417	24.9
69.64656	1.0
71.04977	1.9
71.74394	1.1
73.02906	6.9
81.03400	10.4
85.02891	100.0
87.04449	1.6
91.03934	5.1
97.02869	29.1
98.97563	2.0
99.04427	4.7
107.04939	70.7
108.04481	2.1
108.36553	1.3
109.02869	10.3
112.63670	1.1
121.02872	2.3
121.06504	2.1
127.03911	17.8
131.04866	1.3
134.69194	1.1
145.04944	21.2
149.05981	16.2
163.05949	2.0
166.41710	1.5
167.05614	1.4
167.06906	8.8
168.40276	1.3
173.06003	3.0
180.08649	9.2
184.09654	1.9
187.07576	1.4
215.06989	4.9
231.19937	1.2
233.08009	2.3
257.07751	1.9
275.09106	2.2
275.23895	1.3
314.97910	1.3
346.14914	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11820	1.0
53.03928	3.2
55.01883	4.3
55.94339	1.1
57.03420	6.9
61.02922	12.2
69.03419	20.8
71.04974	5.0
73.02895	8.3
74.70681	1.3
76.55899	1.7
81.03391	8.6
81.61971	1.2
85.02893	100.0
87.04478	1.6
91.03931	2.0
97.02865	29.0
99.04446	6.5
107.04941	66.0
109.02885	9.5
121.02826	13.6
121.06484	2.2
123.04338	1.5
127.03896	17.9
131.04825	1.7
145.04948	18.4
149.05984	22.8
163.03865	1.8
163.05984	3.0
166.08598	1.7
167.06996	14.2
173.06020	2.4
180.08652	12.7
184.09781	1.5
188.02969	1.4
212.86902	1.2
215.07054	2.2
233.08063	3.3
234.84874	1.4
237.09222	1.8
287.09396	1.6
346.15051	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	346.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46154	0.3
53.03938	1.7
55.01853	1.7
55.05496	2.0
57.03424	3.0
59.05010	0.5
61.02915	3.6
69.03420	8.0
70.87659	0.4
71.04980	1.1
73.02903	2.0
75.95261	0.4
79.98732	0.5
81.03393	3.4
85.02893	36.5
87.04478	0.9
91.03918	0.9
92.08747	0.5
94.32835	0.4
97.02866	9.1
98.97585	1.0
99.04445	1.8
105.07070	0.8
107.04941	100.0
109.02875	2.3
116.98591	0.6
121.06458	0.6
124.07561	0.8
127.03909	4.3
131.04919	0.9
131.08539	6.3
137.02324	0.6
138.05484	0.4
143.62613	0.5
145.04973	5.3
145.06363	0.5
149.05974	2.8
149.09601	20.2
153.76451	0.5
173.05975	3.6
173.09604	0.6
180.08710	0.8
184.09634	0.7
197.09663	0.7
207.10097	0.5
213.09068	0.4
215.10640	2.2
228.74782	0.5
233.11670	0.9
275.12787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	4.1
55.05507	38.8
57.03430	8.3
59.04990	2.9
64.99966	1.6
67.05496	100.0
69.07058	28.4
71.04987	4.7
73.32203	1.6
75.41157	1.7
76.02322	1.7
79.05469	30.7
81.06609	2.4
81.07040	64.6
83.04944	6.7
83.08613	25.0
84.50237	1.7
91.05469	25.9
93.07029	32.8
95.04958	7.5
95.08579	35.1
97.06514	8.1
97.10148	23.5
98.97517	2.6
104.69592	1.8
105.07010	27.1
107.04948	4.0
107.08585	38.4
109.10152	85.1
111.08037	3.9
117.06998	8.0
119.08572	21.0
121.10147	9.2
123.11681	3.6
125.09618	18.6
131.08533	11.2
133.10132	15.7
135.08063	3.3
135.11703	4.2
137.09627	3.9
145.10150	7.6
147.11702	7.1
149.09601	8.3
149.13266	11.4
155.10625	15.8
155.83038	2.6
157.10146	2.8
159.11708	8.5
161.31329	2.1
173.11728	72.6
173.13182	4.4
189.11162	12.9
191.70709	2.0
195.13779	18.2
196.62851	2.3
213.14894	9.0
275.20010	52.1
277.30695	1.9
293.21094	9.5
327.15030	2.5
349.08545	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	346.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
57.06812	0.8
57.07069	16.5
58.06582	3.8
58.94948	0.5
65.26768	0.6
70.06580	29.0
71.08620	4.2
71.18613	0.5
72.08120	0.9
85.10149	0.9
88.07618	35.9
92.09288	0.9
92.65155	0.6
102.09164	23.5
112.48933	0.6
132.10190	1.1
146.11784	0.7
179.83009	0.6
216.58720	0.6
240.26866	0.8
284.29434	67.3
319.97415	0.7
328.31998	3.6
346.33115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74935	1.4
55.75802	1.6
70.76524	1.6
78.33016	1.6
81.07077	2.3
91.05466	2.0
104.99324	1.8
154.99362	1.8
155.01892	7.3
171.01379	30.3
222.22464	1.7
237.09714	2.4
297.79953	1.8
327.17929	23.4
345.20300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46577	3.7
59.01773	3.9
78.73274	4.4
81.07045	10.5
92.09303	24.3
93.40627	4.3
95.08601	4.5
146.36571	4.8
181.84892	5.2
192.97197	4.4
226.34372	6.1
282.61963	4.9
345.20258	100.0
358.57910	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2035
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
53.75652	1.0
55.05513	1.6
58.76460	1.1
64.57789	1.3
67.05506	2.9
69.07053	3.3
70.92916	1.1
71.08603	1.5
75.69209	1.3
79.05449	1.9
81.07047	2.3
91.05456	1.4
92.08728	4.8
93.07076	2.0
104.99232	1.6
105.06997	2.5
109.10131	9.4
109.10868	1.4
122.61418	1.4
123.47904	1.3
128.12105	1.4
131.08569	1.6
135.18332	1.5
167.75363	1.4
208.26346	1.5
278.80750	1.4
334.03479	1.5
345.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44672	0.2
57.03423	0.3
61.02909	0.5
61.22666	0.2
64.33543	0.2
69.03427	3.1
72.28289	0.2
73.30742	0.2
81.03396	0.6
82.81531	0.2
85.02888	3.1
91.88834	0.2
93.68344	0.2
97.02868	1.5
98.97578	1.7
99.04462	0.4
109.02852	0.2
116.98596	0.4
120.04436	1.1
123.02185	0.2
127.03945	0.4
127.91751	0.2
129.57060	0.2
138.05472	2.7
148.03917	54.0
150.48813	0.2
151.94998	0.2
166.04970	100.0
179.02165	0.4
184.06023	53.6
197.03329	0.3
201.82808	0.2
216.82596	0.2
221.03249	0.3
224.77547	0.3
315.06909	0.5
338.18936	0.3
346.11267	2.7
347.09396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01860	2.5
57.01134	0.5
57.03437	5.9
57.03675	0.7
61.02917	13.0
69.03415	20.0
71.04977	3.9
73.02907	5.0
79.05466	4.4
80.50385	0.6
81.03406	6.6
85.02894	100.0
87.04441	1.1
88.47774	0.6
91.03931	5.2
92.64394	0.6
93.07007	0.9
97.02261	1.0
97.02882	23.1
99.04446	4.6
103.05447	13.5
107.04938	3.3
109.02850	7.6
115.03951	1.0
121.06488	60.1
127.03897	16.3
131.04906	2.6
139.07518	1.2
145.04951	19.7
149.05998	1.3
163.05963	5.6
164.11240	0.6
167.07048	5.2
167.08223	0.7
180.08699	0.8
246.76712	0.6
272.21823	0.6
288.48184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25763	0.3
55.01854	0.5
56.27266	0.3
59.74560	0.3
59.98855	0.3
69.03400	0.4
70.46617	0.3
71.04962	1.7
79.05482	2.3
81.07030	0.6
85.02887	2.0
90.98212	0.3
91.05467	4.1
93.07011	0.5
94.04156	4.2
95.04936	0.7
97.87440	0.3
103.05455	11.5
105.07017	5.7
107.04941	2.1
109.06485	1.7
115.05450	1.5
117.06995	1.9
119.04916	0.4
119.08546	0.3
121.06481	2.0
122.03629	14.4
122.04510	0.5
123.07997	0.5
128.06262	0.4
129.06964	1.6
130.85909	0.3
131.04901	11.2
131.08606	0.4
133.06473	12.0
135.04430	0.4
135.08034	6.9
137.05962	100.0
143.08487	0.8
145.06459	3.7
147.08067	0.5
149.05956	0.5
151.07533	3.9
157.06476	1.4
163.07518	18.9
171.07962	0.5
174.06764	0.3
175.07527	1.8
177.09068	6.7
189.09175	1.3
203.10565	0.4
263.10590	0.6
274.50262	0.4
295.13239	2.4
327.15814	0.8
358.98294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25479	0.2
53.54329	0.2
55.01855	0.3
62.77562	0.2
67.05511	0.3
74.43179	0.3
79.05456	1.3
80.06229	0.3
81.07036	0.5
90.67240	0.2
91.05455	4.2
93.07011	1.2
94.04170	1.3
95.04926	0.3
95.08593	0.3
103.05450	10.4
105.06976	0.4
107.08597	0.7
108.05704	0.4
109.06477	0.6
115.05407	2.2
117.06984	5.6
119.04893	1.9
119.08524	0.4
121.06487	3.4
122.03632	4.8
123.08043	2.4
128.06184	1.5
131.04907	21.0
131.08525	0.4
134.07243	0.3
135.04396	0.5
135.08049	1.3
136.77580	0.3
137.02356	2.0
137.05956	44.1
138.06293	0.4
143.08527	1.2
144.05685	0.4
145.06473	1.5
147.08041	0.4
149.05963	0.4
149.09598	0.7
151.07513	14.7
161.05934	0.6
162.06709	3.7
163.03850	1.3
163.07509	24.3
171.07999	0.6
175.07478	3.8
177.09071	100.0
178.09436	0.4
195.10139	5.6
203.10559	0.5
221.11662	4.5
267.10056	0.3
293.51825	0.3
295.08917	0.3
299.12726	1.9
327.11343	0.3
354.32117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05497	2.1
56.96541	1.0
57.03434	0.9
57.07042	2.2
59.04995	0.8
61.02906	2.1
67.05511	2.3
69.03135	0.9
69.03428	15.8
69.07059	18.6
71.04974	1.7
71.08578	1.2
72.03350	0.8
72.88108	0.7
77.18907	1.0
79.05483	4.8
81.03384	4.6
81.06600	1.8
81.07043	36.3
83.04963	6.3
83.08611	1.1
85.02897	13.8
85.06552	7.8
91.05446	3.7
92.08965	4.4
93.07024	2.0
95.04940	1.8
95.08587	10.5
97.02856	4.3
97.06496	4.3
99.04432	8.0
99.08069	22.9
105.07025	2.3
107.08580	5.0
109.02850	1.2
109.06503	8.3
109.10143	5.1
111.08046	1.2
113.05991	1.6
117.07065	0.9
119.08554	2.2
121.06460	1.7
121.10139	16.0
123.08045	5.7
123.11703	10.0
125.09623	15.0
127.07525	6.1
137.02344	0.9
137.05949	3.9
137.09584	4.3
137.13226	2.0
139.11174	14.8
147.11687	2.3
149.05934	5.3
150.06763	1.8
161.05952	12.7
165.12709	8.4
181.44710	1.0
183.09917	6.2
183.13788	100.0
185.04123	1.2
194.69719	1.1
203.07051	5.8
210.06741	3.8
221.06053	2.0
225.09027	1.3
238.06038	1.2
253.08655	5.1
267.10001	0.9
285.11203	8.3
327.12161	3.6
345.15158	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	345.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33897	1.0
73.38332	1.1
85.02913	1.3
91.05456	1.6
97.02881	1.0
107.43552	0.8
122.24057	0.9
135.04372	3.4
137.04968	1.4
137.05945	12.6
145.02777	1.0
147.04402	3.1
163.03859	9.7
164.04225	4.3
165.04427	4.1
167.07066	0.9
183.05423	0.8
239.32901	0.8
287.10962	96.5
289.70325	0.8
345.15134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.5
63.99078	1.6
64.03244	1.4
64.33047	1.5
67.58431	1.9
85.02904	2.4
88.36504	1.3
89.15674	1.6
91.05465	2.7
94.92285	1.4
98.97530	1.9
116.09286	1.7
122.03584	2.1
128.22307	1.5
137.05006	2.1
137.05959	25.9
147.04413	3.5
148.04887	1.8
163.03888	7.5
164.04172	3.6
165.04321	3.0
171.60866	1.7
175.07565	1.8
175.51440	1.8
177.00772	1.7
190.95384	1.7
192.90578	1.6
193.26314	1.9
226.09091	1.6
287.10965	65.5
345.15143	100.0
345.34772	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	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.82028	0.6
55.01871	1.5
55.05503	3.1
56.86085	0.6
57.03429	1.5
57.07063	1.6
60.70123	0.7
61.02921	2.8
64.33565	0.8
67.05493	3.6
69.03416	14.3
69.07056	20.8
71.04997	1.1
79.05486	4.6
81.03421	1.6
81.07037	33.0
83.04974	5.6
85.02888	12.1
85.06557	5.2
91.05469	5.2
93.07000	3.5
95.04951	3.0
95.08600	8.2
97.02873	3.3
97.06499	3.1
99.04427	6.8
99.08074	19.9
103.05456	1.3
105.07019	3.6
107.04939	2.8
107.08576	4.9
109.02915	0.8
109.06490	10.2
109.10145	4.8
111.04395	0.8
111.08045	1.5
113.05992	1.6
115.05470	0.8
119.04921	1.3
119.08583	1.6
121.06480	8.5
121.10133	16.0
123.08043	5.7
123.11688	8.0
125.09608	12.9
127.03835	1.2
127.07541	3.5
133.02853	0.8
133.15424	0.7
135.04402	1.9
137.05966	11.9
137.09587	3.3
137.13231	4.4
139.11171	14.8
146.03648	0.9
147.11662	4.4
149.05968	13.8
150.06741	3.9
151.03903	0.8
161.05957	42.8
163.07605	0.7
165.06973	5.1
165.12730	6.8
166.62862	0.8
175.07579	1.8
177.05522	0.9
182.07227	2.9
183.13776	100.0
186.43175	0.8
191.06985	0.9
193.06490	5.8
195.06589	1.1
195.08128	0.9
203.07018	14.5
207.08083	0.9
210.06778	5.9
211.07532	1.0
221.05916	6.9
221.08063	3.1
224.08389	1.9
225.09068	10.6
227.07002	1.4
230.77446	1.0
230.79668	0.8
234.06825	0.8
238.06204	5.0
253.08589	13.6
255.06473	1.8
267.10272	6.1
270.08746	1.7
277.08420	2.6
285.11191	19.6
309.11203	3.4
327.12234	13.7
345.15082	4.9
345.18915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29945	9.8
55.01868	11.5
55.05508	79.7
57.07066	15.3
57.91230	9.6
60.95803	9.5
67.05186	8.7
67.05482	90.1
69.07051	50.5
71.04992	17.5
73.08871	9.3
79.05479	62.8
81.07052	98.8
83.04967	41.5
83.08627	13.0
88.07608	20.5
89.03395	11.9
91.05470	79.7
93.07022	100.0
93.53126	10.8
95.04948	20.8
95.08599	70.6
97.06528	16.8
104.99309	15.2
105.06994	54.6
107.08588	51.7
109.10152	27.0
109.17912	11.0
115.39021	10.3
119.08534	21.3
121.10114	16.4
131.08527	18.4
133.10156	13.6
142.91766	11.8
151.11143	11.4
159.78716	11.4
187.65729	11.5
211.09761	12.7
262.98663	13.5
277.21548	54.2
298.26941	10.4
309.24368	12.1
344.31528	23.2
353.21738	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	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31968	1.0
50.41920	1.1
54.02244	1.0
55.01860	1.1
69.03371	1.6
71.14437	1.0
81.07053	1.1
88.69049	1.3
91.05449	5.3
97.06516	1.2
103.05428	2.3
105.07009	1.8
105.33903	1.2
107.04889	2.5
107.44518	1.1
109.06512	1.7
111.04445	1.5
115.05411	4.7
117.07006	1.8
121.06466	5.6
122.03623	1.4
131.04930	4.7
134.03629	1.6
135.04395	1.7
137.02307	7.1
137.05966	49.4
138.06210	1.4
143.04868	5.0
146.03584	6.4
149.05911	8.9
151.03925	1.1
151.07504	2.9
153.05428	2.5
154.07719	2.3
160.05177	1.5
161.05949	42.7
163.03873	5.8
163.07480	5.3
165.06964	25.9
167.08519	4.6
169.06490	1.5
175.07481	5.3
177.09082	12.6
178.07805	1.8
179.07021	2.2
179.08510	7.6
181.06432	5.7
182.07309	12.5
183.07956	1.7
188.04639	11.4
191.06987	2.0
193.04875	1.7
193.06471	26.9
194.07253	1.9
195.08017	2.6
196.08806	2.5
197.05931	1.7
197.09628	6.3
199.07437	1.7
203.06955	18.4
205.06448	1.5
207.07976	6.6
209.05983	4.1
210.06729	32.9
211.07549	8.6
221.05917	41.7
223.07495	1.8
224.08336	12.3
225.09056	52.4
227.07027	10.2
234.06720	2.2
235.07500	7.3
238.06198	24.6
239.06943	7.7
239.10632	5.6
241.08623	1.6
242.09294	2.0
249.09079	5.9
251.06917	4.8
252.07759	11.1
253.08539	73.2
254.08989	1.4
255.06473	8.4
262.06277	1.6
266.09348	2.0
267.10098	24.9
270.08783	13.6
277.08557	5.5
285.11148	100.0
288.05463	1.2
294.08765	2.4
295.09555	7.7
309.11084	12.0
327.12213	72.3
345.13373	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.15686	3.6
53.75621	3.7
55.01864	10.0
55.05510	55.0
57.03425	27.6
57.07079	4.0
60.32933	3.4
63.41594	3.7
65.03951	4.2
65.46525	4.2
67.05494	99.1
69.03419	4.4
69.07043	32.5
71.01326	22.2
71.04958	5.3
71.60287	3.6
79.05477	75.3
80.14339	4.0
81.03397	29.1
81.07040	100.0
81.85862	4.1
83.04962	19.3
83.08599	8.7
91.05470	80.2
92.08723	5.9
93.07027	56.9
95.04930	41.1
95.08600	35.1
97.10146	5.2
105.07014	57.5
107.08543	30.5
109.10206	14.3
111.08037	4.8
119.08581	37.9
121.10104	17.9
123.08025	25.8
129.06969	9.1
131.08536	11.1
133.10112	18.7
134.89058	4.6
135.08076	5.4
135.11627	6.5
140.07802	4.8
143.08536	5.7
145.10109	9.8
147.08032	6.8
147.11642	6.5
158.65689	4.2
174.10420	4.8
273.18146	5.6
277.28122	4.3
278.08255	4.6
291.19586	17.1
344.31754	5.7
345.16913	9.2
362.15283	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.15686	3.6
53.75621	3.7
55.01864	10.0
55.05510	55.0
57.03425	27.6
57.07079	4.0
60.32933	3.4
63.41594	3.7
65.03951	4.2
65.46525	4.2
67.05494	99.1
69.03419	4.4
69.07043	32.5
71.01326	22.2
71.04958	5.3
71.60287	3.6
79.05477	75.3
80.14339	4.0
81.03397	29.1
81.07040	100.0
81.85862	4.1
83.04962	19.3
83.08599	8.7
91.05470	80.2
92.08723	5.9
93.07027	56.9
95.04930	41.1
95.08600	35.1
97.10146	5.2
105.07014	57.5
107.08543	30.5
109.10206	14.3
111.08037	4.8
119.08581	37.9
121.10104	17.9
123.08025	25.8
129.06969	9.1
131.08536	11.1
133.10112	18.7
134.89058	4.6
135.08076	5.4
135.11627	6.5
140.07802	4.8
143.08536	5.7
145.10109	9.8
147.08032	6.8
147.11642	6.5
158.65689	4.2
174.10420	4.8
273.18146	5.6
277.28122	4.3
278.08255	4.6
291.19586	17.1
344.31754	5.7
345.16913	9.2
362.15283	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29945	9.8
55.01868	11.5
55.05508	79.7
57.07066	15.3
57.91230	9.6
60.95803	9.5
67.05186	8.7
67.05482	90.1
69.07051	50.5
71.04992	17.5
73.08871	9.3
79.05479	62.8
81.07052	98.8
83.04967	41.5
83.08627	13.0
88.07608	20.5
89.03395	11.9
91.05470	79.7
93.07022	100.0
93.53126	10.8
95.04948	20.8
95.08599	70.6
97.06528	16.8
104.99309	15.2
105.06994	54.6
107.08588	51.7
109.10152	27.0
109.17912	11.0
115.39021	10.3
119.08534	21.3
121.10114	16.4
131.08527	18.4
133.10156	13.6
142.91766	11.8
151.11143	11.4
159.78716	11.4
187.65729	11.5
211.09761	12.7
262.98663	13.5
277.21548	54.2
298.26941	10.4
309.24368	12.1
344.31528	23.2
353.21738	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01514	1.5
52.71959	1.6
53.00280	3.2
53.03932	8.3
54.81931	1.7
55.01854	11.4
55.05508	24.1
57.03426	27.0
65.03916	2.4
66.74226	2.0
66.92507	1.8
67.05495	62.1
69.03412	3.6
69.07058	100.0
71.04980	49.5
73.02905	8.1
74.70782	1.8
79.05474	73.3
80.32959	2.0
81.03404	32.2
81.07040	73.1
83.04960	10.9
83.08598	8.7
85.06518	3.0
91.05470	50.5
93.07021	47.6
95.04951	56.1
95.08583	31.6
97.06514	79.3
97.10123	4.6
99.08089	4.2
104.70097	1.9
105.07013	40.6
107.04940	12.5
107.08591	33.6
109.06516	16.8
109.10135	9.4
111.08077	9.1
113.06020	2.6
114.37778	1.9
115.07558	41.4
117.07014	22.2
119.08564	20.5
121.06554	6.7
121.10122	12.9
123.08061	3.4
125.09590	3.2
128.06186	1.9
129.06946	9.6
131.08545	21.6
133.10088	17.0
135.08028	8.9
135.11656	10.5
137.09555	2.4
143.08566	3.9
145.10112	13.5
147.08192	2.9
147.11653	4.2
149.00276	2.4
149.09575	2.4
149.13246	3.9
157.10101	10.2
158.21193	2.2
159.08075	2.5
159.11693	10.0
163.11182	2.4
169.10112	3.6
171.11658	4.0
173.13176	2.6
177.12788	7.7
183.11678	2.3
205.12230	2.7
217.15935	3.1
223.13286	10.9
255.17261	2.6
273.18478	9.1
291.19547	17.5
309.20685	2.5
314.07339	9.6
344.11954	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15081	4.9
52.57972	4.9
53.03954	8.7
55.01854	7.8
55.05503	91.9
57.03427	12.1
58.67617	5.0
60.33067	6.3
67.05496	100.0
69.03416	12.5
69.07050	47.2
71.01325	5.5
71.05012	6.1
74.37837	5.0
76.90621	6.1
79.05476	75.8
79.35504	5.7
81.03406	29.8
81.07037	85.3
83.04967	13.3
83.08611	34.5
91.05455	66.4
93.07025	66.4
95.04962	37.8
95.08583	52.5
97.06529	6.8
97.10160	37.0
105.07034	45.6
107.04932	8.2
107.08572	53.3
109.06512	10.0
109.10156	12.9
111.08073	5.6
117.06962	8.6
119.08574	30.5
121.06467	5.4
122.45873	5.7
123.08047	8.7
125.09621	13.8
131.08556	22.9
133.10129	9.6
145.10153	8.0
147.11697	6.6
189.11244	14.4
275.19916	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57029	0.3
55.01852	0.4
57.03415	0.6
61.02912	2.0
69.03419	4.3
73.02892	0.4
77.90907	0.3
80.86589	0.4
81.03400	1.8
85.02893	17.1
91.03983	0.4
91.05470	6.5
95.04926	0.4
97.02885	4.2
104.17623	0.4
107.71173	0.4
109.02882	1.2
119.04932	22.8
123.04413	2.4
127.03906	2.4
145.04965	1.4
147.04401	100.0
165.05453	26.3
165.06857	0.7
173.10562	0.4
180.08670	0.6
183.86086	0.4
250.49255	0.4
286.41525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75385	0.2
51.88556	0.2
53.03939	0.6
55.01857	0.7
56.37816	0.3
57.03422	1.2
57.94064	0.3
60.67346	0.3
61.02908	2.2
62.27955	0.2
64.28350	0.2
65.23981	0.2
68.12520	0.3
69.03425	4.8
69.17974	0.3
69.84656	0.3
70.06577	0.7
71.04978	0.3
72.51674	0.3
73.02906	0.5
78.90814	0.3
81.03419	2.4
83.04987	0.3
85.02893	16.6
87.04450	0.5
91.03927	0.5
95.04949	0.7
97.02877	5.7
99.04439	0.6
107.04942	100.0
107.37767	0.3
108.05262	0.6
109.02859	1.7
115.96702	0.3
127.03860	2.8
145.04956	1.7
147.04417	0.8
147.08086	0.5
163.03883	0.7
163.11191	1.4
164.01643	1.4
164.11530	1.3
165.09082	12.5
180.08670	1.7
182.02682	0.5
182.11662	0.5
344.17130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81817	7.1
55.05508	51.0
56.96568	49.0
57.03416	7.6
59.14871	6.2
67.05504	75.2
69.07044	39.8
79.05468	98.0
81.03371	10.2
81.07045	100.0
83.04971	11.9
83.08617	11.5
91.05467	53.7
91.05935	6.1
91.09882	6.6
92.09295	8.1
92.10316	6.4
93.07030	93.4
95.04920	27.5
95.08582	48.5
97.06454	8.9
105.07014	52.0
107.04913	10.1
107.08583	31.8
109.06496	9.6
109.10113	27.7
117.07041	30.8
119.08549	45.1
121.10139	26.1
123.08057	8.9
131.08531	34.0
133.06514	7.1
133.10110	39.2
135.08029	8.5
135.11662	7.7
136.30240	6.7
145.10124	28.7
147.08025	6.7
147.11638	10.5
149.09694	8.1
151.11147	7.7
159.11671	12.6
161.09599	11.3
171.03267	8.0
171.11676	9.4
251.09464	8.2
263.20032	16.0
273.18405	31.8
281.10562	68.6
291.19470	40.9
299.11511	57.1
308.18320	7.0
318.77875	9.1
345.09692	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	1.8
55.05505	1.8
57.03427	4.5
57.81865	0.7
58.67738	0.7
59.04999	1.1
60.04515	1.3
61.02916	7.8
63.42258	0.6
65.27887	0.7
67.96609	0.6
69.03416	76.8
71.01346	1.4
71.04982	1.3
73.02904	1.8
73.06539	1.4
75.04484	1.6
81.03407	14.5
83.01321	1.0
83.04977	7.8
85.02892	38.3
85.06532	1.1
85.37299	0.6
87.04454	3.0
88.53615	0.8
91.03939	1.5
91.05460	19.9
92.05786	1.7
95.04987	0.8
96.04461	0.8
97.02875	39.4
99.04435	29.1
101.05994	8.1
103.03958	1.7
103.05448	1.6
109.02897	3.5
111.04419	4.7
113.06005	7.5
115.03898	8.3
119.04926	63.8
120.05270	9.0
121.06478	1.8
123.04411	6.0
127.03913	4.7
129.05446	6.4
131.07042	2.9
134.64091	0.8
136.07558	100.0
143.03381	1.9
145.04971	4.9
147.04390	23.5
147.06488	3.4
148.04716	18.8
161.04497	1.5
164.07072	1.7
165.05434	9.4
165.07555	1.2
168.50475	1.0
178.08598	1.3
182.08098	63.2
199.21942	0.8
224.09186	1.1
230.39362	0.8
241.06973	1.7
248.40419	0.8
259.08142	4.4
325.40161	0.9
327.60678	0.9
344.13501	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.56743	0.2
55.01855	0.3
57.03422	1.4
59.14961	0.2
60.01587	0.3
61.02903	1.4
65.03924	0.3
66.01019	0.2
67.45145	0.3
69.03416	4.1
71.04968	0.3
73.02901	0.6
78.02853	0.3
81.03395	2.0
85.02892	17.7
91.05459	4.9
92.09412	0.3
97.02877	3.6
97.16764	0.3
99.04427	0.5
100.06888	0.3
101.23104	0.3
109.02898	1.1
119.04925	23.2
119.75778	0.3
123.04417	2.6
127.03890	2.1
145.04967	1.5
147.04396	100.0
148.04750	0.4
165.05449	29.1
180.08656	0.7
182.08224	0.5
281.32620	0.3
344.13440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42595	0.8
53.03944	0.9
54.82129	0.8
55.01866	1.7
55.05510	7.7
57.03427	2.2
61.93418	0.8
65.03933	1.4
65.77415	0.9
67.05499	31.8
69.03426	1.0
69.07061	13.5
71.04980	7.9
73.24873	1.0
76.56957	1.0
79.05488	8.6
81.07035	13.3
83.08614	1.3
85.06534	2.3
91.05434	8.5
93.07034	14.3
95.04957	19.2
95.08582	6.8
97.02945	1.0
97.06467	1.3
105.07011	8.5
107.08599	8.2
109.06516	1.9
109.10149	100.0
115.05429	4.2
117.07021	10.4
119.08556	5.9
121.10149	1.8
123.08031	1.1
127.11145	5.7
128.06256	1.2
133.10098	2.3
135.08015	11.2
135.11685	1.4
136.43408	1.2
137.09628	1.8
145.10138	4.1
158.07281	1.0
159.11649	1.6
163.07455	1.4
163.11124	1.3
169.10115	7.7
171.11703	1.0
173.09586	1.8
174.35751	1.1
175.16193	1.0
176.39937	1.0
188.12006	1.9
199.10995	1.2
221.15359	3.7
267.05472	1.0
273.18512	8.0
289.17941	2.4
325.21701	1.5
343.22479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.2
53.03933	0.3
54.82270	0.1
55.01866	1.8
55.05493	0.7
57.03429	5.9
58.03767	0.3
59.04988	2.5
60.05333	0.1
61.02914	5.5
62.03225	0.1
68.05025	0.2
69.03416	46.1
70.03739	1.3
70.03989	0.1
70.06573	0.1
71.01331	3.5
71.03819	0.1
71.04977	3.4
72.01682	0.2
73.02525	0.2
73.02906	2.8
73.06535	2.7
75.04465	2.7
80.04994	0.2
81.03403	6.5
82.03742	0.2
83.01307	0.2
83.04974	1.6
83.06089	0.2
84.04494	0.5
85.02889	40.6
86.03217	1.9
86.09708	0.2
87.03305	0.6
87.04459	2.8
88.04785	0.1
91.03942	1.7
91.05470	0.5
95.04950	0.2
95.06100	0.2
96.04475	0.8
97.02872	100.0
98.03169	0.8
98.06036	0.2
98.97606	0.2
99.04432	7.2
100.04755	0.2
101.02354	0.7
101.05994	9.6
103.03918	0.7
107.04941	0.2
108.40190	0.1
109.02864	3.9
110.03196	0.2
111.03268	0.2
111.04425	4.6
112.02162	0.8
113.02331	1.2
113.05979	0.5
114.02689	0.5
114.05521	0.8
115.03906	13.2
117.05465	1.1
119.04904	0.9
119.06996	0.1
121.02851	0.2
121.06457	0.2
123.04417	0.7
125.07185	0.1
127.03889	13.3
128.04230	1.7
129.04395	0.4
129.05449	8.5
130.05003	0.2
131.03380	0.1
131.06978	0.2
132.06529	1.6
135.04424	0.1
136.06180	2.2
136.07565	5.1
137.07079	0.4
141.06584	0.2
143.03337	0.2
145.04939	13.4
146.05276	2.0
147.04388	0.8
147.05414	1.0
147.06516	4.2
148.04718	0.2
151.03242	0.6
153.06570	2.5
157.04964	0.1
161.04500	0.1
163.05984	5.5
164.07045	0.4
165.05415	0.6
165.06566	1.8
165.07646	0.2
167.08173	0.2
169.04218	0.1
173.02986	0.2
173.04398	2.2
175.06052	0.2
179.06564	0.1
179.08066	0.1
180.08662	0.2
182.05533	0.2
182.08089	3.2
191.08156	0.6
192.08910	0.5
193.04962	0.5
195.07750	0.1
197.03783	3.9
202.98917	0.1
213.07494	0.4
215.04915	0.2
223.05757	1.1
225.06871	2.6
241.06874	5.6
257.06491	0.2
258.06866	0.6
259.08090	11.5
269.05847	2.4
269.08508	0.2
276.07901	0.9
276.10785	0.4
277.08276	1.1
280.07443	1.6
294.11798	1.8
298.08484	0.7
309.11166	0.1
312.12912	0.9
326.08002	4.1
344.09042	12.9
363.59506	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	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80887	4.2
55.05503	25.8
57.03427	7.6
57.07061	23.7
62.06082	6.7
67.05482	45.6
69.03413	5.9
69.07068	8.8
71.04980	7.7
71.08617	8.2
78.23425	5.0
79.05470	30.3
81.07036	29.6
83.08611	5.0
91.05450	36.4
93.07024	53.7
93.46251	4.9
95.04948	72.4
95.08581	60.5
96.54737	4.3
96.82427	3.9
105.07005	55.2
107.08583	41.8
109.06508	20.1
109.10149	21.2
109.15230	4.4
117.07004	8.7
119.08571	10.8
121.06470	5.5
121.10093	10.0
123.08057	10.9
128.06175	5.4
130.07813	5.4
133.10103	7.8
135.08029	7.4
135.11700	6.9
145.10110	11.7
147.11629	7.5
163.11102	9.1
165.12689	8.4
174.18475	7.9
342.37241	100.0
343.37646	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	3.4
55.01868	5.1
55.05497	20.3
57.03428	6.0
57.07058	13.5
57.88547	2.4
59.04987	5.7
59.55826	2.8
67.05486	38.1
69.03403	12.7
69.07058	4.2
71.04967	15.8
73.74685	2.8
79.05473	25.1
81.03390	4.5
81.07052	24.5
83.04957	3.4
83.52382	2.8
85.06510	5.5
91.05461	44.0
93.07021	78.8
95.04948	51.2
95.08585	100.0
97.06501	19.9
105.05360	3.0
105.06355	5.3
105.07012	93.5
107.08572	56.4
109.06503	18.9
115.05417	5.1
117.06981	39.7
119.08539	31.4
121.06434	18.8
121.10112	12.9
123.08040	21.0
128.06169	3.4
129.06969	3.7
130.07805	24.8
131.08545	6.8
133.06471	3.7
133.10103	14.0
135.08076	25.0
135.11665	11.2
137.09604	4.3
143.08542	17.3
145.10098	61.6
146.68523	2.8
147.08035	16.0
147.11659	3.9
149.09599	4.9
151.07483	31.1
157.10066	6.3
161.09618	6.1
163.11159	32.1
165.09065	12.9
169.10049	4.1
173.09624	4.1
175.11160	6.4
187.11127	4.8
189.12703	4.5
203.14305	3.7
221.15302	17.4
325.21378	3.6
343.22589	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	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.36764	0.4
67.05141	0.8
67.05498	23.0
69.07056	11.9
71.04975	7.4
79.05482	4.3
81.07043	9.4
84.26284	0.5
85.06534	3.1
91.05471	3.6
93.07009	3.9
95.04954	11.1
95.08578	5.4
105.07014	5.0
107.08598	4.2
109.06519	0.7
109.10150	100.0
113.54900	0.5
115.05447	2.3
117.06999	4.6
119.08560	2.4
121.10143	2.6
127.11186	8.0
129.07001	1.1
130.07784	0.8
131.08565	2.0
133.10114	0.8
135.08063	1.2
137.09616	2.1
140.63351	0.5
142.07840	0.7
143.08563	0.8
143.64651	0.5
145.10104	4.3
147.11682	0.6
155.08542	0.6
157.10144	2.1
159.11702	2.2
163.29294	0.5
169.10194	0.7
173.09578	1.1
181.10039	0.7
183.11769	0.5
187.11206	0.9
209.13423	0.6
221.15387	2.2
223.14752	0.5
234.27583	0.6
273.18457	1.2
343.24762	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	3.3
55.01861	7.9
55.05507	20.5
57.03420	11.1
57.07057	11.5
59.05005	6.5
63.63129	1.9
67.05492	29.2
67.69106	1.6
69.03405	10.7
69.07050	8.0
71.04987	21.1
79.05484	25.9
81.07040	32.5
83.04958	4.3
85.06533	2.8
86.00325	1.8
91.05453	37.0
93.07025	71.6
93.72826	1.9
95.04951	56.6
95.08586	100.0
97.06502	15.8
103.05452	2.8
105.07014	91.5
107.04916	2.5
107.08578	52.3
109.06483	14.0
111.08049	1.9
115.05433	7.8
117.07012	31.4
119.08551	28.7
121.06499	17.9
121.10112	12.5
123.08027	28.2
128.06235	3.7
129.06955	4.5
130.07770	20.7
131.08549	11.4
133.06474	4.4
133.10094	12.7
135.08012	22.1
135.11656	12.4
137.09583	3.5
142.07773	2.7
143.08548	11.8
145.10109	72.5
147.08043	13.3
149.09592	2.6
151.07532	40.2
153.09079	2.6
155.08517	2.7
156.09366	2.3
157.10075	8.8
159.08054	3.0
159.11728	4.0
161.09578	9.7
163.11137	40.4
165.09045	14.5
167.97478	1.9
173.09583	3.7
179.07001	2.6
187.11110	2.4
189.09047	2.1
189.12749	11.5
195.11441	1.9
203.14296	4.5
207.13866	4.0
221.15332	17.6
263.16135	3.3
286.19229	2.2
325.21582	4.6
343.22604	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.7
55.05502	30.0
56.80842	7.0
61.44043	5.3
65.03944	9.5
67.05507	44.0
69.07052	30.4
79.05479	41.9
81.07040	32.4
83.04984	14.8
91.04971	7.2
91.05439	53.2
93.07021	64.6
95.04943	100.0
95.08582	27.3
103.05459	9.3
105.07011	88.0
107.08575	42.5
109.06469	10.1
109.10137	8.1
115.05457	5.6
117.07030	11.1
119.08552	43.6
120.33939	6.6
121.06497	14.6
121.10147	34.5
123.07990	6.6
125.09624	7.0
128.06219	7.2
129.06955	13.9
129.22710	5.6
131.08578	25.9
133.10127	36.9
135.08009	25.2
141.06995	23.0
142.07782	41.1
143.08534	47.3
145.06465	7.3
145.10123	27.1
155.08554	13.9
156.09346	8.6
157.10109	40.4
159.07991	24.4
159.11717	13.5
161.09624	27.6
165.06920	7.6
167.08582	28.9
167.10623	10.8
169.10101	11.3
171.11714	10.9
173.13190	11.2
181.10016	9.5
182.10924	25.2
185.17703	6.2
193.10170	10.9
195.11688	11.2
197.13222	13.6
206.10991	7.5
207.11710	11.2
209.13263	8.4
219.17415	11.1
223.14661	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03927	2.9
55.01860	7.3
55.05505	24.8
57.03418	9.8
57.07063	13.5
59.04980	7.1
65.03931	1.7
67.05495	33.9
69.03408	12.1
69.07047	8.0
71.04982	15.3
77.14104	2.1
79.05482	31.5
81.03414	2.4
81.07040	33.1
83.04952	3.8
83.08597	2.1
83.83834	1.8
85.06523	7.9
91.05472	46.7
93.07028	74.9
95.04951	64.8
95.08581	90.8
97.06501	17.1
103.05458	4.0
105.07014	100.0
107.04916	3.3
107.08583	53.6
109.06503	16.7
115.05444	10.3
117.07000	32.6
119.08555	31.4
121.06496	15.8
121.10130	17.6
121.22620	2.0
121.80148	1.8
123.08029	27.1
128.06174	4.2
129.06987	12.7
130.07753	19.1
131.08533	15.1
133.06477	4.3
133.10094	17.1
135.08076	18.5
135.11647	9.8
141.06975	3.7
142.07733	4.0
143.08568	14.3
145.06381	2.6
145.10106	69.2
147.08009	14.6
147.11679	4.4
149.09622	7.2
151.06416	3.1
151.07515	40.9
155.08546	2.3
156.09357	3.6
157.10155	13.9
159.08041	2.7
159.11705	13.6
160.08804	1.8
161.09601	8.0
161.13307	2.5
163.11154	33.4
165.09053	9.3
167.08582	2.5
169.10136	4.1
171.11728	6.8
173.09558	6.8
175.11143	3.4
177.09108	2.6
182.10849	2.3
183.11719	4.5
187.11198	2.5
189.12755	9.8
193.10098	2.2
195.11658	2.9
197.13283	2.8
201.12816	2.7
205.12025	1.9
207.13872	2.3
221.15266	16.1
228.17220	1.8
247.17033	2.3
267.17285	2.3
267.82266	2.2
293.35382	2.0
322.58386	2.0
325.21487	8.8
343.22647	63.9
365.11118	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	343.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26938	1.5
51.11551	1.3
53.00300	2.0
53.03936	8.1
55.01630	1.8
55.01868	34.5
55.05506	85.9
57.03427	13.6
57.07082	2.2
59.04990	1.8
65.03931	2.7
67.05493	100.0
68.06274	2.3
69.03423	12.1
69.06711	2.6
69.07056	40.9
71.04977	6.5
79.05479	69.1
80.06261	2.1
81.03394	28.1
81.07037	85.8
81.08936	1.4
83.04967	23.4
83.08610	28.0
83.63658	1.6
85.02894	9.3
85.81098	1.5
91.05462	50.1
93.07025	73.4
94.04138	1.9
94.07791	2.0
95.04946	64.9
95.05515	3.1
95.08584	38.0
96.05724	15.2
97.02856	7.2
97.06501	17.5
97.10157	31.9
98.07307	1.9
99.04431	3.9
105.07011	43.8
107.04946	27.9
107.08576	32.8
109.02859	40.2
109.06497	39.1
109.10145	39.5
110.03643	2.5
111.04453	13.9
111.08083	11.5
113.05975	2.0
115.05434	3.0
117.07013	16.8
119.04900	2.3
119.08573	38.0
121.06469	15.0
121.10114	7.0
122.07269	8.3
123.04401	21.7
123.08036	16.3
125.09608	19.9
129.06984	10.9
131.08540	14.8
133.06490	13.2
133.10104	14.8
135.08051	14.7
135.11684	9.6
137.05975	8.7
137.09592	39.2
138.06700	1.7
138.10367	3.5
139.07547	2.0
143.08514	6.1
145.06544	2.7
145.10150	13.0
147.08060	12.0
147.11671	13.8
149.09625	3.7
151.03951	4.0
151.07500	2.2
151.11215	2.0
155.10674	18.4
157.10146	11.1
159.11653	2.5
159.42874	1.8
161.09647	3.7
161.13184	2.1
163.07600	2.3
165.09053	3.3
165.12704	6.5
175.11137	12.3
177.12726	8.3
185.13161	1.8
189.11185	2.6
193.12238	19.3
195.13791	2.1
221.11710	38.6
239.12788	20.1
273.18552	10.5
279.15765	3.0
291.19452	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	343.1233
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.91716	0.7
53.03923	1.4
55.01880	9.4
57.03224	0.6
57.03431	10.9
59.04982	1.1
61.02896	4.4
62.66209	0.6
65.03947	0.8
68.84241	0.6
69.03417	32.6
71.01325	0.8
71.04964	1.3
72.08131	3.3
73.02903	5.1
81.03407	5.7
85.02894	69.2
91.05460	13.5
97.02874	24.1
99.04431	7.4
101.02377	6.6
109.02872	5.7
115.03899	4.3
118.08595	0.9
119.04926	40.3
127.02962	1.7
127.03899	43.0
145.04945	20.1
145.54503	0.8
147.04395	100.0
163.05986	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	343.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01847	0.4
76.46973	0.3
78.04687	0.3
79.05471	2.1
81.07052	0.4
83.10133	0.4
85.02878	0.6
89.06003	0.5
91.05468	9.4
94.04162	5.1
95.04916	0.5
103.05448	11.4
104.06247	2.8
105.07014	1.6
107.04922	2.4
107.07095	0.4
111.21028	0.4
115.05440	9.4
117.07002	5.0
119.04928	0.7
119.08560	11.2
122.03624	12.0
128.06242	4.0
129.06987	5.3
131.04912	11.8
132.05693	12.3
134.82343	0.4
135.04422	1.0
137.05960	100.0
141.06982	1.8
143.04912	1.7
145.06485	2.4
147.08028	14.4
155.06059	0.5
157.06491	0.7
158.07220	0.7
159.08026	0.7
160.05165	9.7
161.05922	0.8
163.03883	1.7
163.07500	9.9
163.13278	1.6
169.06444	1.9
170.06958	0.4
175.07520	65.1
186.06754	2.3
187.07524	1.7
188.08330	0.5
190.07822	0.5
201.09103	1.6
233.09511	0.6
247.17186	0.4
251.59401	0.4
263.25751	0.4
293.11386	0.4
325.14395	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	343.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39038	0.1
54.02151	0.2
55.43662	0.1
55.61069	0.2
58.37352	0.2
65.03924	1.0
67.06216	0.2
68.50694	0.2
69.03455	0.2
73.59278	0.2
75.17797	0.2
81.03401	0.2
81.96913	0.2
85.02893	0.4
89.03907	0.3
91.05463	15.5
97.02857	0.2
99.08070	0.2
117.03369	0.4
117.09137	0.2
119.04920	42.0
125.85909	0.2
135.04405	1.4
145.02829	1.0
147.04390	100.0
152.63205	0.2
163.03856	4.5
181.04846	0.3
355.06760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01853	3.4
61.14341	2.4
65.03921	4.1
68.42739	1.9
73.38042	1.9
77.27132	1.9
91.05463	21.6
92.08645	5.1
95.04951	2.6
95.16443	2.2
103.05432	9.2
105.06997	2.5
107.04922	2.2
111.04440	2.8
115.05428	22.4
119.04918	10.8
121.06493	3.0
122.03643	13.4
131.04901	3.8
135.04401	3.0
137.05954	76.3
141.03401	2.3
143.04903	10.0
144.05734	2.1
145.06497	12.4
147.04337	7.4
149.05975	5.1
150.06738	2.7
151.03877	5.0
153.07016	4.0
158.03651	4.0
159.04398	11.7
160.05177	13.5
161.05959	11.7
165.06989	12.3
166.07742	4.1
173.05934	16.4
175.03859	3.6
175.07541	12.6
176.06197	3.5
177.06934	30.0
178.07779	2.4
179.08476	4.6
181.06471	3.6
186.03098	25.6
187.03882	4.4
189.06970	3.2
190.07834	3.2
191.06985	3.6
191.08534	3.1
193.06488	3.6
194.07213	40.5
195.08029	4.9
201.05374	31.2
204.05708	11.4
205.04576	4.2
205.06454	92.6
206.07266	9.6
207.08014	5.3
211.07628	3.7
218.07286	2.6
219.08060	5.1
221.05911	30.5
222.06734	77.4
223.07558	11.1
233.05931	60.5
234.06618	16.2
235.07507	4.8
236.04753	2.6
237.09058	54.8
239.06905	15.3
247.07501	12.0
248.08331	3.9
249.05437	27.7
250.03619	3.1
250.06177	85.8
251.07002	17.5
253.08336	2.5
261.05435	12.0
262.06177	3.7
263.07071	3.4
264.07727	20.7
265.08533	100.0
266.05762	2.6
266.09354	10.2
267.06427	16.5
268.07431	2.9
277.04968	14.8
277.08707	2.5
278.05670	25.7
279.06479	5.3
279.10120	3.2
281.08051	2.9
282.08804	13.8
283.09619	8.3
292.07236	45.0
293.08044	63.1
294.08798	2.6
295.06171	9.4
297.11185	21.5
307.09567	68.7
310.08374	19.4
311.12717	2.7
325.10663	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01857	9.3
55.05508	24.0
57.03419	2.3
67.05495	43.8
69.03419	1.7
69.07047	20.2
71.04965	2.4
79.05476	34.3
79.73491	1.6
81.03394	3.6
81.07040	100.0
83.04957	8.6
83.08608	9.8
85.06513	3.3
91.05460	32.0
93.07017	29.2
95.04948	11.3
95.08585	27.1
97.06494	10.3
97.10157	2.4
99.08051	2.3
103.06006	2.0
105.07027	28.3
105.10740	2.1
107.04933	12.1
107.08572	14.8
109.06512	26.5
109.10124	10.5
117.06999	7.8
117.31475	1.7
119.08571	22.5
121.06494	9.1
121.10133	9.5
123.08050	9.1
123.11701	3.4
126.21069	2.0
131.08539	14.4
133.10103	17.3
135.11665	6.2
137.09596	3.2
143.08556	2.0
145.06479	2.0
145.10115	8.8
147.08060	2.7
147.11676	18.7
149.09595	3.9
149.13243	3.6
157.10083	1.8
159.11653	9.8
163.11163	7.9
165.12737	2.2
173.13255	3.4
177.12793	3.3
181.86110	2.0
257.18991	7.1
264.12469	2.1
275.20010	65.2
293.20950	3.6
307.22647	32.2
316.73486	1.8
342.33618	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	5.3
54.81845	6.2
55.01862	6.9
55.05510	52.6
57.03407	5.4
67.05495	80.9
69.07051	30.3
71.21418	5.8
71.47599	5.8
73.31417	6.9
79.05460	62.3
81.03373	8.4
81.07049	73.4
83.08616	33.2
91.05450	56.7
92.07230	5.9
93.07043	55.9
95.04929	28.1
95.08578	37.1
97.06520	11.5
105.07018	83.7
107.04941	11.9
107.08594	46.6
109.06503	13.3
109.10150	38.2
111.08118	9.6
117.06981	33.8
119.08556	52.8
121.06477	11.0
121.10133	37.6
123.08103	11.5
125.09626	10.3
127.21584	6.0
128.34001	6.3
131.08533	30.6
133.10124	37.7
135.11633	12.9
137.09599	12.9
145.10104	39.1
147.11646	14.9
149.09596	35.2
159.11714	11.6
163.11171	34.6
168.22737	6.8
173.09636	7.3
185.16542	7.9
213.07907	6.0
239.17836	7.8
257.19006	14.7
275.20065	100.0
296.03226	7.3
307.22662	27.2
342.33624	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	342.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08985	0.3
55.05500	0.7
57.07070	12.8
58.06581	1.8
62.06079	4.5
67.05481	1.5
68.88110	0.3
69.07049	0.3
70.17245	0.3
71.08306	0.3
71.08620	6.1
72.08132	2.1
81.07056	1.0
85.10152	0.7
91.05447	0.6
92.05807	0.4
95.08578	0.4
96.08887	0.4
100.00357	0.3
105.07012	0.4
106.07325	0.4
107.08533	0.4
109.10128	0.4
110.10478	0.4
133.10092	0.8
134.10518	0.5
151.07535	1.8
152.07875	0.6
156.17438	2.9
174.18510	6.7
212.23700	1.2
230.24763	5.7
259.81308	0.3
324.36221	1.5
342.37247	100.0
343.37689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24220	1.3
53.00302	2.0
53.03943	1.8
54.26497	1.6
54.81936	1.5
55.01865	7.2
55.05507	31.4
55.10610	1.2
57.03423	4.0
57.07056	1.7
59.04987	2.1
61.12025	1.5
67.05493	54.9
69.03413	2.8
69.07054	25.4
71.04981	43.6
78.71213	1.5
79.05477	39.6
81.03394	9.1
81.07042	100.0
83.04962	3.6
83.08613	11.1
85.06533	3.2
85.17479	1.7
87.77140	1.6
91.05466	36.9
92.09247	2.3
93.07027	37.2
95.04973	13.0
95.08593	36.0
97.06516	10.3
97.10136	2.5
99.08073	2.7
105.07013	36.6
107.04959	16.5
107.08577	24.9
109.06499	25.8
109.10126	19.2
111.04425	19.7
111.08053	7.0
113.09624	6.4
117.07001	12.5
119.08569	27.2
121.06477	8.9
121.10123	14.7
123.08063	12.7
123.11703	7.0
125.09679	2.0
129.06978	2.5
131.08537	13.8
133.10118	18.3
135.08011	3.4
135.11670	6.1
137.09602	7.5
139.20311	1.6
145.10085	11.4
147.08051	2.9
147.11678	16.6
149.09636	12.9
149.13255	2.6
151.11176	6.4
157.10097	2.8
159.11659	7.9
161.13257	2.7
163.11127	10.0
171.11670	3.0
173.13190	2.8
175.11151	2.4
175.14685	1.9
177.12633	2.5
239.18007	2.4
247.20630	6.1
257.19006	6.8
258.77921	1.7
275.20029	76.0
293.21109	29.4
307.22678	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04543	1.0
52.64777	0.9
53.03921	1.9
55.01873	11.6
55.05505	81.3
57.03429	2.2
57.07065	1.4
59.05005	4.0
67.05494	27.4
69.03410	9.3
69.07056	49.1
71.96230	1.0
73.06541	1.4
79.05479	44.7
80.42024	1.0
81.07041	31.3
83.04958	7.5
83.08607	47.4
85.06535	1.3
91.05465	21.5
93.06569	1.3
93.07032	22.7
95.04959	4.9
95.08585	11.6
97.06493	7.1
97.10153	100.0
99.08089	1.2
105.07033	21.1
107.04935	5.3
107.08583	90.6
109.06496	5.5
109.10138	7.4
111.08064	6.1
117.06994	6.1
119.08553	10.5
121.06516	2.2
121.10143	4.8
123.08077	2.3
124.11226	2.0
125.09606	83.0
131.08510	6.4
131.09447	1.2
133.10149	9.7
135.08049	17.1
135.11656	4.5
145.10101	12.9
147.11635	8.2
149.09595	7.7
149.13229	1.5
153.09088	8.9
157.12202	4.8
158.53951	1.4
159.11684	7.2
163.11160	2.5
177.12778	2.3
177.96950	1.1
187.11180	1.1
203.12764	59.0
239.17928	1.6
251.66153	1.1
257.18863	9.5
275.19986	27.1
289.21600	14.4
297.66019	1.3
307.22705	12.4
337.03412	1.2
344.04825	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2381
Annotation	Pro Leu Leu
Peak:m/z	Relative Intensity
56.96539	0.3
62.97459	0.3
65.03580	0.3
66.45297	0.2
66.70214	0.3
69.03396	0.5
69.07047	0.4
70.06579	100.0
84.95985	0.3
86.09692	15.3
129.25960	0.3
135.04362	0.4
137.06036	0.4
161.05980	0.3
163.03882	0.7
183.14902	15.5
211.14388	9.2
245.18510	2.1
342.23804	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20974	1.7
55.01865	5.3
55.05506	33.2
57.03417	8.8
57.07046	2.0
59.48700	2.2
63.16801	2.0
65.03932	3.2
67.05497	80.4
68.89163	2.2
69.03416	9.3
69.07057	57.6
71.04980	3.2
79.05479	57.0
81.03391	14.4
81.07046	100.0
83.04962	12.8
83.08604	15.3
85.02831	2.3
85.06523	4.5
91.05474	49.7
93.07027	65.4
94.17920	2.2
95.04945	16.9
95.08586	37.2
97.06510	12.2
99.70298	2.2
105.07024	42.3
107.04943	9.4
107.08595	38.9
108.61022	2.1
109.06529	4.5
109.10126	16.8
111.08083	4.1
114.45885	2.3
117.07024	11.5
119.08559	25.9
121.10140	17.9
123.08031	5.1
123.11725	2.8
129.07007	4.0
131.08553	17.3
131.85382	2.3
133.10109	22.8
135.11685	27.3
137.09601	3.2
139.34555	2.3
143.08513	2.5
145.10121	13.4
147.11696	11.8
149.09642	3.8
149.13229	12.1
151.11179	3.6
155.08527	2.6
157.10136	3.2
159.11690	17.2
163.11118	4.9
173.13205	4.5
177.12770	3.5
181.12219	22.5
195.13806	11.4
213.14946	5.1
223.04065	2.5
227.16147	2.6
275.20065	21.7
289.21616	2.7
296.97296	2.4
307.22531	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69231	2.1
51.93602	2.1
53.03941	4.5
55.01865	19.8
55.05504	100.0
57.03429	38.1
57.07060	3.7
62.96010	2.3
63.30685	2.0
64.05876	2.3
65.03928	4.5
67.05495	66.8
69.03407	15.1
69.07054	50.4
71.04969	16.7
74.57026	2.4
79.05472	70.3
81.03402	26.9
81.07043	46.1
83.04964	17.8
83.08587	35.1
85.02897	14.0
85.06529	3.8
91.05463	53.8
93.07021	33.6
93.16113	2.1
95.01304	23.9
95.04953	54.6
95.08607	19.9
97.02874	3.7
97.06505	28.2
97.10150	50.3
98.97563	5.0
105.07011	42.6
107.04925	34.8
107.08574	32.6
107.99876	2.5
109.02852	9.3
109.06509	26.2
109.10137	12.6
111.04409	3.5
113.05968	4.0
115.07542	10.0
116.98617	4.1
117.06991	20.7
119.04953	2.7
119.08547	29.7
121.02838	47.5
121.06478	35.4
121.10136	3.8
123.04398	11.7
123.08084	3.1
125.09592	30.7
129.06985	11.2
131.08539	12.3
133.06509	4.5
133.10103	12.1
135.04474	2.7
135.08023	22.8
140.97041	2.6
141.06969	5.4
142.43776	2.5
143.08562	3.0
144.05615	3.0
145.06516	3.9
145.10098	9.5
147.08092	4.4
147.11661	16.9
151.07533	3.3
154.07098	2.5
155.08614	3.1
157.10114	8.1
159.08032	68.5
163.07576	8.4
163.11284	3.4
169.10146	2.9
173.09483	3.1
175.11208	3.1
177.09029	3.8
185.09581	4.5
189.11263	23.1
193.12215	11.0
211.11328	2.6
211.13268	2.8
219.13809	4.8
221.11694	18.5
233.15375	5.2
237.14687	16.1
239.12813	12.5
247.13347	11.0
253.15811	5.3
271.16922	15.5
289.17923	31.0
304.57645	2.3
307.19064	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.4
55.05261	2.0
55.05507	32.1
56.96547	1.3
57.03419	1.3
67.05500	12.3
69.03405	1.1
69.07056	4.4
71.04979	1.4
75.30164	1.0
79.05465	15.0
81.03402	7.1
81.07042	11.7
83.04970	100.0
83.08611	5.6
85.02903	1.2
91.05453	10.9
93.07022	10.7
94.84080	1.2
95.04955	5.5
95.08591	7.0
97.02914	1.7
97.06511	5.2
97.10139	4.1
98.97562	1.5
99.04443	1.3
105.07007	7.3
107.04947	7.0
107.08593	6.6
109.02826	1.8
109.06479	2.6
109.10170	2.1
111.04429	2.3
111.08040	2.1
116.98579	2.4
117.07007	6.9
119.08559	7.1
121.06516	1.4
121.10152	2.2
123.04390	1.2
125.05971	1.3
125.09623	2.4
129.06985	1.5
131.08557	4.2
133.10136	1.9
134.73921	1.1
135.08020	11.5
135.11708	4.5
143.08562	1.4
145.06464	4.9
145.10117	5.3
147.08022	1.9
149.09608	1.8
151.07637	1.3
153.12663	1.4
159.08041	6.7
163.11205	5.5
173.09604	4.3
189.74086	1.1
191.10678	1.4
193.12242	9.6
194.04192	1.1
211.10980	1.2
243.17534	4.2
261.18567	5.2
271.16943	5.9
289.17966	46.9
307.19009	5.4
326.74741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85984	0.6
53.03925	0.6
53.98258	0.5
54.51073	0.5
54.81637	0.5
55.05503	0.9
57.03429	14.1
59.04979	2.4
61.02924	5.1
64.33381	0.6
65.27695	0.6
69.03416	6.3
71.04977	4.1
71.08619	5.2
73.02883	0.7
76.56342	0.7
81.03400	3.4
81.07036	7.8
85.02893	21.9
85.06516	1.0
91.03976	0.6
91.05449	1.2
97.02888	5.6
99.04467	0.8
99.08077	24.3
109.02859	1.2
109.06506	6.7
117.09114	100.0
119.04910	3.4
127.03942	2.4
127.07574	5.7
145.04956	2.4
147.04393	9.2
163.09625	10.2
180.08595	1.3
180.12270	2.4
188.87175	0.5
206.21623	0.7
238.11583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01869	1.5
55.05508	13.8
57.03436	4.3
57.07069	34.7
59.04984	1.4
60.02332	0.8
61.02913	5.2
69.03415	9.1
70.06578	4.2
73.02909	2.1
77.25793	1.0
81.03417	6.7
83.08612	7.9
83.79085	1.0
85.02895	39.5
86.09638	1.0
87.45963	0.9
87.78806	1.0
88.81657	1.0
89.06008	58.4
91.05466	2.6
93.31626	1.1
97.02864	10.7
101.09631	26.4
103.05466	4.2
105.06992	1.8
107.07050	43.7
109.02859	2.6
115.05452	2.3
117.06989	1.5
119.08575	1.9
122.03662	2.4
127.03889	5.8
129.06967	1.1
131.04883	5.2
132.05750	1.5
137.05963	30.3
145.02881	1.5
145.04996	1.1
147.08043	2.4
157.06546	1.2
160.05191	1.5
162.01129	1.1
163.03911	6.1
163.13266	100.0
169.77716	1.2
175.07553	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	342.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79882	1.1
53.03939	2.1
55.01868	6.4
57.03435	16.9
59.04991	33.0
59.08497	1.2
59.23347	1.2
59.33566	1.2
61.02913	7.7
69.03422	56.4
71.01342	19.5
71.04979	10.9
73.02908	9.1
74.71143	1.4
75.04490	2.0
81.03423	17.1
83.01330	1.6
83.04972	1.7
85.02893	100.0
87.04461	10.0
91.03969	3.1
95.24828	1.4
97.02879	42.3
99.04440	13.5
101.02351	3.2
109.02899	12.1
111.04451	6.4
113.02351	13.2
115.03942	3.4
117.34381	1.4
117.68967	1.5
118.18096	1.3
127.03896	51.3
128.63141	1.3
130.04994	6.6
132.87006	1.3
144.58308	1.5
145.04950	84.8
163.06026	6.3
169.04897	2.0
173.04474	6.4
180.08479	1.5
195.15213	1.5
211.06053	1.9
227.05624	1.6
257.06494	12.0
275.07578	30.5
310.11292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
57.03170	1.0
57.03431	15.3
59.04992	1.4
61.02918	4.3
62.54053	0.5
69.03419	7.6
69.76802	0.5
71.04967	6.3
71.08604	4.7
79.05452	0.8
81.03378	2.6
81.07039	6.8
83.04987	1.1
85.02898	22.2
85.06525	0.9
91.03917	0.8
91.05454	3.5
97.02888	6.8
99.04430	0.9
99.08079	22.1
103.46938	0.6
109.02847	1.5
109.06506	6.5
117.09118	100.0
119.04929	8.1
124.59995	0.6
127.03881	3.0
127.07539	5.3
132.72990	0.8
134.20981	0.7
145.04955	2.3
147.04402	24.7
151.10258	0.6
163.09637	12.1
173.88496	0.6
180.08650	2.5
180.12276	4.0
244.71651	0.6
252.65582	0.8
337.81949	0.7
348.28906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01843	1.6
57.03427	15.0
59.04992	49.5
61.02906	6.5
62.05183	1.3
69.03063	2.7
69.03420	51.3
71.01337	3.3
71.04977	9.2
73.02895	7.4
81.03388	11.6
85.02892	77.7
85.14825	1.3
87.04452	9.9
97.02886	36.1
99.04445	17.4
101.02367	2.6
109.02884	8.3
113.02349	3.4
114.38111	1.5
120.00075	1.6
127.03905	43.7
130.04979	2.4
145.04955	100.0
155.37305	1.5
163.05995	2.5
172.50812	1.6
173.04430	3.7
257.06512	10.9
275.07584	20.3
317.57672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.3
57.07064	13.2
65.92096	2.0
67.05493	47.4
69.07060	39.0
69.53768	1.8
70.48395	2.2
71.04953	1.8
79.05479	31.0
81.07042	100.0
83.00601	2.3
83.08618	19.7
86.92461	1.8
91.05457	14.0
93.07030	71.1
95.04949	4.5
95.08588	94.9
95.09200	3.2
95.14262	1.8
97.06515	9.2
97.08685	1.8
97.10141	14.4
103.41380	2.2
105.07027	32.3
107.08582	45.4
109.06468	4.0
109.10143	48.9
111.08086	4.6
111.11686	4.9
116.52816	1.9
116.98599	2.4
117.06989	2.1
119.08587	23.4
119.66147	1.9
121.10136	36.7
123.08083	2.7
123.11684	21.1
125.09621	2.2
126.58775	1.8
129.19493	1.9
131.08609	3.0
133.10112	32.6
135.09917	2.2
135.11667	29.7
137.09573	4.3
137.13266	3.0
145.10081	2.1
147.11655	15.7
149.13220	33.5
151.11119	3.1
159.11687	3.6
161.13255	11.0
163.14799	9.2
165.12671	2.8
167.14345	2.2
173.13268	2.3
175.14888	2.7
177.16394	3.2
189.16423	2.5
209.15395	2.4
232.24669	2.0
259.24146	16.7
277.25192	15.1
293.24747	9.1
305.24692	27.9
312.88013	2.4
323.25665	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	341.1382
Annotation	Brosimacutin D
Peak:m/z	Relative Intensity
55.01861	1.2
57.03408	1.1
58.46720	1.0
59.67606	0.7
67.05482	5.1
68.24179	0.8
68.99786	5.7
69.07050	1.5
71.01313	0.9
76.38308	0.8
76.72149	0.8
81.03365	1.2
81.07044	4.3
85.06518	0.9
85.30982	0.9
91.05454	7.5
93.07037	1.7
95.04955	1.8
95.08585	1.6
97.06519	1.3
103.05472	1.8
105.07024	2.2
107.04939	1.2
109.02863	1.1
109.10146	1.2
115.05421	7.8
117.06315	0.9
117.06985	30.1
119.04917	9.9
123.04407	56.9
123.11679	0.9
129.07010	4.7
131.04890	7.9
131.08554	3.9
133.06476	1.2
137.02322	1.1
137.05948	8.9
141.06993	2.3
143.08496	1.3
145.06467	37.1
147.04388	13.0
148.05067	1.0
149.05934	4.0
152.06226	1.7
153.07025	2.3
157.06511	3.7
159.04410	6.7
159.08023	4.2
159.38864	0.9
160.05167	30.5
161.05956	9.3
163.03931	1.1
163.07498	25.5
163.14812	1.0
164.41371	1.0
165.05510	3.3
165.06973	3.7
167.08549	4.1
169.06374	1.0
173.05946	40.2
174.06734	1.2
175.07497	9.5
177.05429	1.7
177.06851	1.5
177.09117	1.8
181.06458	6.1
183.08093	1.9
185.05949	1.6
185.09656	1.1
186.06584	1.1
187.07494	13.2
188.08278	10.6
189.09047	3.8
194.07173	3.5
195.07961	8.9
197.05893	4.2
198.06726	1.8
199.07506	8.3
201.09081	4.2
202.07755	1.0
205.06442	15.4
207.07935	0.9
209.06071	1.1
210.06818	1.5
211.07562	2.3
212.08200	1.0
213.09093	5.4
218.07227	1.1
219.10078	1.6
221.05989	1.9
222.06776	3.8
223.07492	23.3
223.10997	1.0
226.06096	1.4
231.08032	5.6
233.05978	8.2
234.06787	2.0
235.07460	3.9
236.08160	1.5
237.05397	3.8
239.06992	2.3
240.07962	3.9
247.07491	7.6
248.08295	15.6
249.09044	2.0
250.06192	33.5
250.08572	1.7
251.06978	40.6
251.10182	6.6
255.06483	2.0
257.07965	4.9
261.09091	1.8
263.06909	4.8
267.06458	5.3
268.07242	86.1
269.08032	39.9
276.07819	4.1
277.08524	8.9
277.12210	5.1
279.06509	6.5
279.10120	15.7
281.08023	2.2
282.08691	1.4
291.10559	1.0
293.08069	6.0
294.08798	10.5
295.09567	3.5
297.11154	100.0
298.11371	1.1
305.11676	4.7
323.12720	27.1
336.02338	1.0
341.13760	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
60.24815	0.6
73.14962	0.7
79.05452	1.1
81.07037	0.8
83.08620	1.3
91.05455	4.6
92.09291	1.1
92.65243	0.7
94.04163	4.4
95.04947	1.0
100.11234	6.3
103.05412	1.1
105.06994	5.2
107.04932	1.9
109.06513	4.2
111.04424	1.0
115.05420	4.2
117.06997	1.4
119.08580	1.9
122.03632	12.4
128.06186	3.4
129.06985	4.5
131.04904	1.3
132.05669	1.3
133.02835	0.9
133.06479	5.2
137.05959	100.0
139.95047	0.7
144.05661	3.2
145.06487	1.5
146.03635	1.0
147.08035	1.7
149.05983	1.4
151.07535	1.1
155.04909	0.9
157.06477	3.2
159.08005	1.8
160.05229	3.4
161.05948	8.7
163.07521	1.5
168.05658	1.0
169.48839	0.9
172.05185	5.0
174.06717	3.1
175.07491	13.8
177.05516	1.3
182.15288	1.3
187.07520	18.3
189.09154	1.5
190.07687	6.0
191.08514	9.6
196.05289	1.5
199.07544	5.7
202.07747	5.7
203.08514	13.2
205.06544	1.1
205.08574	3.1
207.08095	1.2
208.08923	1.3
211.07512	7.7
213.05319	1.1
217.08524	3.4
218.07228	3.3
219.08014	14.9
220.08852	6.3
227.06989	4.3
231.07962	10.3
232.08745	3.1
233.05975	1.0
233.09663	1.1
235.07571	1.7
235.10999	1.0
236.08215	1.7
237.08995	1.4
239.06992	5.3
240.07802	3.9
241.04979	1.1
247.07559	7.5
248.08215	10.1
249.09093	1.3
251.10565	13.6
255.06454	3.6
256.07288	4.1
259.07547	4.9
260.08389	0.9
263.10580	6.3
265.08554	3.7
270.08871	1.5
271.09576	8.9
276.07730	4.9
277.08542	4.1
278.09351	0.9
279.10129	9.7
280.10840	1.0
281.08185	2.9
283.09708	1.1
291.10071	15.0
292.10828	1.1
293.07904	1.2
296.10321	3.8
297.11160	0.9
308.10379	1.7
311.12692	14.4
323.12799	6.1
341.13876	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76930	0.8
69.03423	1.0
70.93758	0.8
77.80467	0.9
79.05466	5.1
81.07050	2.1
82.63542	0.8
86.09686	1.4
91.05437	2.3
94.04162	5.2
101.14631	1.2
103.05448	1.7
105.07004	8.0
109.06473	2.0
115.05431	2.3
119.08579	1.0
122.03619	13.9
128.06142	2.2
129.06984	1.7
131.08475	1.0
132.05695	1.6
133.06448	4.4
137.05962	100.0
141.06941	1.6
147.08022	1.7
149.05942	1.5
154.48576	1.0
155.04898	1.5
159.07957	1.5
160.05090	1.6
161.05949	8.4
163.03862	1.0
163.07536	1.8
171.08055	1.1
175.07509	17.1
187.07570	6.8
190.07788	6.9
191.06969	1.8
191.08524	16.0
199.07498	6.3
202.07747	5.2
203.08594	8.1
204.25923	0.9
208.08755	1.7
218.07312	2.4
219.08041	17.8
220.08818	5.7
231.08119	7.6
235.07332	1.3
236.08363	1.8
247.07465	6.0
248.08224	5.6
251.10620	23.7
253.08493	1.1
259.07458	4.2
260.08102	1.4
263.10577	3.8
265.08514	1.9
277.08618	2.0
279.10168	8.9
291.10117	5.8
292.10880	2.0
311.12692	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61391	0.1
53.03938	0.2
57.03415	0.1
58.10908	0.1
61.02893	0.3
67.05487	0.2
69.03410	0.7
77.03902	0.3
81.03384	0.3
85.02902	1.3
89.03909	0.9
95.04935	0.3
97.02872	0.4
105.03371	0.7
106.47883	0.2
109.02882	0.3
117.03349	0.7
121.02867	0.6
123.04414	16.1
126.09866	0.2
133.02834	14.6
135.04408	2.3
137.02306	0.4
142.34436	0.1
151.03893	5.9
157.09485	0.2
161.28157	0.2
174.05496	0.2
179.03371	100.0
180.03754	0.2
187.33594	0.2
280.68497	0.2
301.24149	0.2
341.08466	0.6
352.78967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03426	0.2
61.02908	0.2
69.03402	0.7
77.03925	0.2
81.03384	0.4
85.02902	1.6
89.03893	0.8
92.20738	0.2
95.04935	0.3
97.02875	0.4
105.03358	1.1
107.04956	0.3
108.59509	0.2
109.02838	0.4
117.03341	0.4
123.04410	15.6
132.99393	0.2
133.02834	15.0
135.04396	2.8
137.02335	0.3
143.10727	0.2
151.03897	5.7
163.03966	0.2
179.03368	100.0
208.68788	0.2
339.52609	0.2
341.08350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33501	1.6
53.79768	1.8
55.01857	12.9
55.05501	20.9
57.03423	11.2
57.07061	4.9
57.16663	1.7
64.45941	1.6
67.05492	81.7
69.03410	8.6
69.07047	17.5
70.06574	2.3
71.04977	2.5
72.75085	1.8
73.06515	2.1
79.05469	33.6
81.07037	82.2
83.04971	26.5
83.08615	2.7
85.06512	10.4
91.05463	46.2
93.07026	36.0
95.04943	11.4
95.08579	9.9
97.06496	2.7
99.08089	3.0
105.07010	64.8
107.04929	8.1
107.08583	54.8
109.06499	12.2
109.10143	83.7
117.06995	4.3
119.08526	4.2
121.06512	2.2
121.10121	2.5
123.11683	19.3
131.08533	13.5
133.06416	2.6
133.10112	100.0
143.08519	2.1
149.02306	2.3
149.09573	3.3
151.11168	68.2
161.09521	1.9
175.11113	3.7
179.10703	4.5
183.13768	25.1
190.25102	2.1
193.04944	9.7
245.18864	2.8
263.20053	3.3
273.18420	8.6
291.19525	10.3
296.90167	2.1
305.21118	18.3
323.22079	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.1
53.03942	1.4
53.49658	0.6
55.01865	8.5
55.05505	39.2
57.03425	1.1
57.07061	3.1
59.04981	1.0
60.90562	0.5
64.60352	0.6
65.03909	1.1
66.35126	0.5
67.05492	17.4
67.32434	0.6
69.03413	7.9
69.07057	23.0
77.86240	0.6
79.05475	21.5
79.40778	0.8
81.03416	5.7
81.07040	18.0
83.04959	5.7
83.08606	16.0
85.06570	0.6
88.09073	0.5
91.05458	15.5
93.07022	15.2
94.31944	0.6
95.04935	6.0
95.08593	7.7
97.02883	4.5
97.06527	0.6
97.10152	20.9
105.07013	10.7
107.04947	6.4
107.08588	14.3
109.06533	1.4
109.10130	4.2
111.08074	2.1
117.06985	4.8
119.04907	1.2
119.08573	8.5
121.06483	2.7
121.10142	2.8
123.08051	2.8
125.09610	13.2
129.07004	3.4
131.08556	7.1
133.06485	2.6
133.10144	3.4
135.08023	3.7
135.11699	1.2
137.09648	1.0
143.08554	1.2
145.10117	4.3
147.07999	4.7
149.02315	2.5
149.09599	1.3
149.13313	0.6
153.09131	1.1
157.10080	1.2
159.11655	0.6
161.09631	2.7
162.10387	1.2
163.11154	0.9
165.09129	0.7
175.11174	1.0
193.04938	3.5
193.12234	0.9
194.05197	1.4
203.12793	4.0
205.12100	0.7
223.13251	10.4
237.14879	0.9
245.19054	0.7
249.14850	3.5
273.18375	6.0
291.19489	100.0
302.65091	0.7
305.21078	6.6
323.22321	0.7
339.77930	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	25.9
61.05019	20.9
67.05515	31.5
79.05493	30.8
81.07034	100.0
83.04977	28.5
91.05479	41.4
95.08599	32.6
95.35867	24.7
97.33758	24.0
99.01494	23.5
105.07059	40.7
109.06509	34.6
109.10137	42.7
133.10095	43.8
148.45667	24.6
151.07558	52.7
193.06464	46.7
227.50375	23.0
275.46658	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.6
55.05272	2.3
55.05508	50.3
57.03422	2.5
67.05482	31.7
67.14044	2.0
69.07065	28.6
79.05469	31.1
81.03386	13.3
81.07036	30.2
83.04972	5.6
83.08595	23.8
91.05469	21.7
92.09413	5.5
93.07044	20.0
95.04934	14.7
95.08594	12.4
97.10160	26.2
105.07018	17.1
107.04935	16.3
107.08587	19.6
109.06512	3.1
109.10148	3.8
116.98615	2.4
117.07014	5.8
119.08572	16.9
121.06483	4.1
121.10085	4.3
123.08049	4.1
125.09614	16.5
129.06982	4.7
131.08575	5.1
133.06424	2.7
133.10126	2.8
135.07959	8.4
145.10141	4.8
147.07991	5.3
147.11769	3.9
175.11046	2.9
193.12242	3.9
203.12744	4.6
220.93874	2.4
223.13239	11.4
231.17538	2.6
233.15213	2.4
249.14911	4.9
249.99654	2.3
273.18561	5.7
291.19489	100.0
305.21054	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
55.05506	1.4
56.96567	0.9
57.07060	0.7
58.70605	0.5
59.04983	0.7
67.05486	5.8
67.80550	0.6
69.03417	0.9
69.07053	11.4
71.04984	8.5
71.22854	0.6
71.55960	0.6
79.05469	15.0
79.05898	0.9
81.03419	1.2
81.07040	4.9
83.04961	4.5
85.06546	5.9
86.09690	100.0
91.05460	12.8
92.08692	1.1
93.07018	16.0
95.04953	5.8
97.06512	1.0
99.08092	0.7
100.11249	1.3
105.07014	17.8
105.07653	0.9
107.04938	3.9
107.08573	24.0
109.06503	4.2
111.04439	4.3
117.07016	7.0
119.08552	10.0
120.42542	0.6
121.06499	5.8
121.10121	10.1
123.04428	1.3
123.08025	0.9
124.07573	2.4
128.10715	2.8
129.07007	4.6
130.07759	1.3
131.08548	27.0
132.10187	16.8
133.10121	1.0
135.04414	4.1
135.08066	1.0
137.06017	0.8
137.09622	6.1
143.08429	1.0
145.06471	1.5
145.10103	13.2
147.08047	4.5
147.11659	1.2
149.05920	3.2
149.09601	41.8
163.07509	1.3
163.11151	12.3
165.09082	4.9
165.12828	0.7
167.10637	26.9
173.09604	4.9
191.10629	18.2
209.11690	14.7
210.14789	2.6
256.15335	0.8
258.18607	1.0
263.12555	0.7
276.19479	9.2
292.34564	0.7
294.20499	5.3
298.07904	0.7
304.19360	1.1
322.20120	8.8
340.21133	5.8
356.29874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.96555	0.5
57.07064	1.0
64.33777	0.3
67.05474	0.5
69.07063	3.6
70.10245	0.3
71.08611	1.7
79.05478	6.6
83.08601	0.4
87.02704	0.8
91.05462	2.6
95.04939	0.9
103.05466	4.3
105.07024	43.8
106.07800	3.1
106.27712	0.4
107.08568	2.0
119.08566	3.9
133.06476	42.6
134.07271	15.2
135.08041	33.7
135.09077	0.9
137.02380	0.4
137.04227	0.6
151.07541	14.3
157.50117	0.4
165.03693	14.8
167.05185	1.0
176.10677	0.6
178.12247	100.0
179.05272	4.4
179.12987	0.5
210.87148	0.4
277.16107	3.7
295.17249	17.0
332.32440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01865	5.3
55.05511	68.9
55.33250	1.1
56.50394	1.2
56.96539	1.5
57.03444	2.3
58.02950	5.8
59.05001	1.2
61.02923	1.7
64.52323	1.1
67.05495	7.9
69.03426	16.2
69.07061	13.0
79.05470	7.0
81.03421	5.0
81.07033	9.4
83.04977	2.7
83.08607	52.6
85.02897	30.0
86.09702	2.8
90.17432	1.2
91.03996	1.4
97.02874	7.0
97.10155	100.0
98.97585	1.5
99.04391	1.3
100.11263	9.3
100.31464	1.4
101.05992	1.4
103.09872	1.3
107.08587	14.4
109.02843	1.6
114.09160	18.7
125.09615	99.7
127.03867	2.0
131.65778	1.4
134.22871	1.5
137.02322	2.1
142.08650	7.0
143.10664	61.2
161.11678	18.4
163.03906	1.5
167.00281	1.7
168.37024	1.4
181.97362	1.9
182.15440	11.0
188.47870	1.3
199.17941	2.0
340.25906	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	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05507	17.4
59.04987	2.6
64.59950	0.4
67.17698	0.4
69.03419	6.4
69.07055	3.9
83.04950	0.5
83.08607	100.0
85.02885	3.8
91.00243	0.5
92.09383	0.9
97.02877	0.9
97.10152	39.6
101.06010	0.6
101.09644	0.7
107.08614	2.0
117.34975	0.4
125.09602	14.6
143.10663	52.5
161.11676	0.6
180.08734	0.6
247.44498	0.6
298.92572	0.5
339.92847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.09503	0.4
54.44032	0.5
55.01858	3.6
55.05505	38.2
57.03434	0.8
57.07059	0.5
59.04988	2.4
61.02913	0.9
69.03422	12.5
69.07047	5.4
76.17854	0.6
76.36143	0.5
79.05470	2.9
81.03392	0.8
81.07027	3.4
83.08605	100.0
85.02896	11.8
85.06517	0.6
91.03918	0.7
97.02871	2.9
97.10148	68.4
101.06000	0.7
101.09637	6.3
107.08571	5.4
109.02840	0.6
123.92490	0.5
125.09607	31.9
127.03915	2.1
135.92146	0.5
137.05977	0.8
143.10655	74.3
145.04877	1.0
161.11710	23.8
180.02130	1.0
183.51378	0.6
189.05435	0.8
217.04880	1.0
235.00909	0.5
263.05408	1.3
326.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	2.8
55.05505	40.0
57.03417	1.5
57.07069	0.6
59.04993	2.3
61.02911	2.2
67.05478	0.9
69.03415	14.5
69.07043	5.3
71.04971	0.8
79.05482	1.0
81.03398	1.9
81.07051	3.5
83.04970	1.0
83.08604	100.0
85.02889	11.3
87.04443	0.5
91.03925	0.5
91.05454	1.9
97.02863	2.5
97.10149	80.8
99.04451	0.5
101.06019	0.7
101.09639	7.0
102.09190	0.5
105.06991	1.9
106.10555	0.4
107.08585	6.4
109.02889	0.5
111.11710	0.4
120.77711	0.4
125.09605	42.2
127.03880	1.6
131.08591	0.5
133.06500	2.0
135.39935	0.6
137.05946	2.0
143.10657	83.5
145.04900	0.7
147.04396	2.1
156.55504	0.5
161.05928	1.5
161.11707	26.1
163.03798	0.4
169.84468	0.4
180.02029	2.9
189.05418	2.0
217.04887	2.1
223.44527	0.4
263.05396	3.3
304.44003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.01865	11.0
55.05505	37.2
57.03418	6.3
61.02913	8.4
62.87395	1.3
63.72350	1.1
67.05483	2.4
68.06126	1.0
68.99805	2.0
69.03416	48.0
69.07054	3.1
71.04971	5.9
73.02900	7.7
79.05475	2.7
81.03397	25.1
81.07058	7.4
83.08609	21.3
83.80580	1.3
85.02891	100.0
87.00814	53.5
87.01350	1.6
87.04472	1.7
91.03973	1.2
97.02870	30.7
97.10146	66.1
99.04430	12.8
101.02347	3.2
105.01842	45.3
105.02541	1.7
107.08578	7.1
109.02861	23.9
117.01790	2.3
125.09612	61.9
127.03893	49.0
129.01802	5.6
143.10651	68.3
145.04909	16.4
147.02841	2.3
159.02855	9.1
161.11734	8.0
163.03844	1.4
198.35240	1.3
204.31299	1.3
218.96068	1.5
231.04944	13.2
249.06018	5.2
326.64233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.03417	2.4
61.02914	6.5
63.65993	1.5
69.03413	13.8
69.07056	80.4
71.04955	2.9
73.06525	13.1
79.05467	9.0
81.03397	6.3
81.07028	2.6
85.02888	24.3
85.06509	1.9
92.08701	3.1
92.69129	1.6
97.02855	10.7
97.06509	32.4
99.04453	2.3
107.08573	6.1
109.02856	3.9
115.07552	32.0
125.05948	15.4
125.09599	11.2
127.03837	2.1
136.06148	10.3
137.02315	2.1
143.07018	96.3
143.10663	16.7
145.04910	2.8
161.08070	100.0
161.35735	1.6
163.03819	10.2
172.11594	1.8
178.04987	3.3
178.10713	2.7
179.03415	17.8
180.08548	2.6
219.04193	1.8
224.82559	1.7
281.60449	1.6
310.78253	2.0
340.13315	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71331	1.2
55.01865	2.3
55.05486	1.6
57.03442	1.8
57.42756	1.1
60.06939	1.3
61.02916	3.2
67.05495	1.6
69.03408	5.6
69.07056	74.2
71.04967	3.1
73.02901	1.4
73.06541	14.3
79.05467	8.7
81.03401	5.8
81.07064	1.6
85.02891	27.6
85.06537	2.3
91.03912	1.6
97.02861	9.7
97.06513	28.5
97.23866	1.3
107.08614	2.8
109.02903	1.6
115.07555	28.0
125.05977	7.3
125.09611	7.1
127.03923	2.8
135.04384	2.0
136.06158	8.1
137.02356	3.1
143.07027	100.0
143.10664	11.6
145.04910	2.5
156.73903	1.6
161.08069	95.9
163.03882	7.0
178.10802	2.4
179.03378	15.3
180.08598	2.3
217.04964	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.96543	1.5
53.03931	2.9
54.41941	1.5
54.65956	1.5
55.05507	69.3
56.42555	1.6
57.07076	17.7
60.02788	1.5
67.05490	34.1
69.03413	9.6
69.07057	81.3
71.04973	3.9
71.08620	4.2
77.18567	1.5
79.05486	24.3
81.03401	9.6
81.07043	100.0
83.04974	31.1
83.08604	31.2
85.54230	1.8
86.89082	1.7
91.05454	20.6
92.09344	3.9
93.07021	51.5
95.04951	16.8
95.08588	71.9
97.06509	28.0
97.10154	33.2
98.97565	4.0
99.08080	2.6
105.07008	33.9
107.08576	49.3
109.06521	10.2
109.10143	35.9
111.08086	11.5
111.11713	8.1
113.06000	2.2
115.11182	2.3
116.98588	7.2
117.07019	3.7
119.08562	31.7
121.10130	36.3
123.08067	4.0
123.11681	19.1
125.09595	3.5
131.08563	13.8
133.10100	14.9
134.99638	1.9
135.08078	6.4
135.11664	16.9
137.09621	6.3
137.13229	3.4
145.10141	14.4
147.11711	18.2
149.09560	3.2
149.13260	10.0
151.11131	2.1
151.14850	2.2
159.11678	11.3
161.13240	11.1
163.11168	4.0
163.14822	3.6
165.09135	1.9
173.13208	3.6
175.14880	3.0
177.12695	3.2
177.16344	16.2
195.17389	16.7
196.09329	1.7
198.62006	1.6
201.16412	2.5
213.18494	2.9
223.16904	1.9
231.21175	2.6
257.22556	10.9
274.97568	2.8
275.23734	11.2
285.21960	3.4
293.24768	8.2
303.23117	59.1
321.24252	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	339.1072
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
55.72753	0.2
57.03414	0.2
61.83958	0.2
65.03618	0.2
65.03929	1.4
71.04979	0.4
74.68475	0.2
82.14253	0.2
83.04970	0.9
85.02895	0.3
85.06525	1.6
86.06834	0.3
91.05461	17.8
95.12623	0.3
111.04453	0.5
113.09612	1.7
113.11555	0.2
114.09963	0.5
119.04921	47.6
141.09074	1.4
142.09492	0.8
145.02826	0.4
147.04390	100.0
148.04691	0.5
159.10191	0.4
163.03847	0.3
268.86377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1928
Annotation	1-dodecylglycerone 3-phosphate
Peak:m/z	Relative Intensity
56.96564	0.8
67.05491	1.0
67.71763	0.8
98.97572	11.9
112.41402	0.9
112.43389	0.9
116.98598	10.1
134.99622	5.2
155.71104	1.1
232.96362	1.0
256.96176	1.1
274.97253	9.1
292.98566	8.1
339.19247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01864	40.6
55.05507	43.3
56.96551	5.6
57.03426	35.9
57.09271	3.2
57.92886	3.2
67.05496	85.6
69.03419	4.1
69.07058	31.4
69.57012	3.4
79.05477	91.0
81.03393	7.3
81.07040	83.5
83.04977	36.2
83.08619	5.8
85.06519	4.8
91.04946	5.9
91.05463	89.9
91.97363	3.4
93.07028	60.1
95.04951	73.9
95.08604	33.6
97.02914	7.1
97.06528	6.2
98.97584	47.4
103.05436	4.8
105.07014	50.5
107.04943	100.0
107.08591	32.8
108.05736	5.3
109.06496	49.9
109.10141	19.6
111.04397	4.2
111.99533	3.3
112.05207	8.3
112.38010	3.3
113.05973	5.2
115.05441	3.9
116.98597	48.1
117.06992	32.6
119.08561	34.4
121.06509	24.7
121.10125	16.8
122.07267	14.3
123.04396	5.9
123.08058	5.7
125.06003	4.5
129.06984	16.3
131.08562	36.9
133.06496	20.6
133.10107	22.5
134.99670	30.4
135.08032	17.3
135.11678	13.8
137.09604	6.4
141.06918	4.3
142.74446	3.4
143.08539	15.4
145.06477	17.2
145.10115	28.2
147.06995	3.5
147.08031	29.3
147.11726	4.5
155.08687	4.5
159.11603	6.9
161.09612	17.0
163.11151	8.1
165.09056	3.8
169.10100	3.7
171.11702	7.1
173.13190	8.0
177.12582	3.6
187.14822	8.0
188.74142	3.8
189.12682	5.0
205.15819	6.1
208.96129	4.5
215.14282	5.3
233.15331	48.9
250.97290	4.1
256.96240	4.7
265.17950	35.9
273.18491	5.8
274.97501	43.5
290.18817	5.5
292.98563	41.8
304.20428	4.0
305.21011	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15751	0.6
53.35472	0.6
53.61801	0.7
55.01863	1.7
55.05505	4.8
57.03424	4.7
59.87155	0.8
61.02905	0.9
64.80371	0.6
65.03964	0.8
67.05495	12.6
69.03400	4.0
69.07047	5.7
69.26823	0.7
71.04974	1.4
79.05482	6.1
81.07043	100.0
83.08607	4.2
85.02895	40.1
85.06517	1.2
87.04471	1.0
91.17873	0.8
92.08698	1.8
93.07024	1.9
93.78687	0.9
95.08590	99.7
97.02911	1.7
97.06527	1.5
99.04440	4.9
99.08078	5.5
111.08026	1.4
113.09653	6.6
119.04913	1.9
123.08053	70.2
127.03919	1.7
129.09094	1.3
139.90602	0.9
141.09090	90.2
147.04395	6.5
159.10165	15.5
257.83536	0.8
274.22803	0.8
364.14938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28059	0.7
53.41908	0.7
55.05478	0.8
55.53778	0.6
57.03429	29.8
58.92691	0.7
61.01134	0.8
61.02914	1.5
66.56255	0.7
67.05486	5.3
69.03409	7.2
69.07058	89.4
71.04974	4.4
71.08617	15.9
73.06535	1.9
81.03390	1.9
81.07030	8.3
85.02895	12.9
85.06527	21.8
91.05465	3.5
95.08587	26.4
96.04428	0.9
97.02871	4.5
97.06518	5.5
99.04433	10.0
99.08076	29.2
108.34436	0.8
113.09641	6.2
115.07568	3.1
117.03339	3.3
119.04933	7.1
122.09639	1.3
123.08027	10.7
127.03834	1.3
130.06538	1.2
135.04391	4.2
136.54729	1.0
141.09091	100.0
145.02834	1.7
145.04932	1.0
147.04395	14.7
149.16295	0.9
159.10149	33.7
163.03937	10.1
170.06009	1.0
180.08751	1.2
198.05498	12.3
220.06799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80449	3.1
53.03925	4.5
55.01862	7.5
55.05507	100.0
66.74153	3.4
67.05493	27.1
69.03406	6.2
69.07053	19.4
79.05489	38.5
81.07047	30.8
83.08599	63.3
83.65707	3.4
85.00490	4.5
91.05463	32.6
92.64743	3.7
93.07037	30.9
95.04929	6.1
95.08628	4.4
97.10155	95.7
98.97588	37.4
105.07027	6.1
105.87885	4.3
107.04946	5.0
107.08595	31.4
109.10156	7.0
109.80476	3.7
111.08024	4.3
112.02823	3.6
116.98609	27.8
117.07002	29.8
119.08585	38.8
121.06516	6.6
125.09626	58.4
131.08524	6.4
133.10112	5.4
134.99658	22.6
135.08047	17.2
145.06503	16.2
147.07991	4.7
153.09129	7.4
157.12375	4.4
159.08073	18.0
163.85507	4.0
165.09061	5.4
187.94972	3.9
188.06709	4.1
203.12704	49.4
271.16873	37.3
272.55875	4.5
274.97498	32.2
284.57190	3.9
289.18060	4.3
292.98459	22.4
303.19507	49.7
327.56311	4.0
343.62271	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	339.1072
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
56.96556	0.4
65.03930	0.4
67.05480	0.4
69.03397	0.4
81.07034	1.2
83.04967	1.1
85.02880	0.4
90.99564	0.2
91.05462	11.8
95.04923	0.3
95.08578	1.3
96.08948	0.4
97.02877	0.3
98.97588	0.3
101.24577	0.3
109.37280	0.2
109.67699	0.2
111.04434	0.4
117.03387	0.4
119.04919	35.3
123.04418	1.3
127.03892	0.5
135.04385	0.5
139.03882	0.9
141.09091	0.5
145.02831	1.6
147.04391	100.0
148.04863	0.4
163.03842	0.3
165.05411	0.4
177.05429	1.6
197.01138	1.1
215.02121	0.3
222.80661	0.3
257.04587	0.3
280.88321	0.3
294.22644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05495	2.9
57.03427	1.7
59.20963	0.4
59.94012	0.3
61.02917	0.6
63.27762	0.4
67.05491	6.0
69.03410	2.1
69.07053	11.5
71.04970	0.9
73.06534	1.0
79.05470	2.1
81.03388	0.5
81.07037	14.4
83.04952	0.6
83.08645	0.5
85.02418	0.8
85.02891	14.3
85.06558	0.5
86.49451	0.4
93.06998	1.4
95.04933	0.6
95.08584	100.0
96.08926	0.5
97.02876	0.6
97.06515	5.1
98.97543	0.7
99.04438	2.5
99.08070	4.8
100.01775	0.5
103.03927	1.7
103.19402	0.4
105.07005	0.8
105.25338	0.4
109.02871	0.4
113.09635	4.9
115.07548	9.2
116.98622	0.5
123.04420	0.7
123.07151	0.8
123.08046	23.5
127.03934	0.9
135.04454	0.6
136.07555	0.7
139.03885	0.9
141.09082	26.8
159.10143	30.9
163.03885	2.1
169.67911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	0.5
53.03936	0.5
54.81639	0.5
55.05495	2.2
57.03439	3.5
57.07056	0.7
61.02902	0.6
63.76059	0.5
64.33255	0.5
65.06872	0.4
67.05500	8.5
69.03410	3.6
69.07056	19.6
71.04977	2.0
73.06533	2.8
73.50581	0.4
79.05470	1.9
81.03400	1.1
81.07038	23.3
81.78767	0.5
83.04963	0.7
83.08596	0.5
85.02895	24.7
85.06515	0.8
91.05421	0.5
93.07030	2.4
95.08587	100.0
97.02855	2.2
97.06516	5.8
98.97553	0.6
99.04446	5.8
99.08074	11.1
103.03910	0.7
105.07024	0.9
109.02834	0.6
113.09628	15.1
115.07549	15.2
123.08043	34.2
127.03836	0.7
129.09161	0.6
135.04318	0.9
141.09088	50.7
147.04391	3.6
159.10143	34.6
163.03883	3.0
203.03447	1.1
212.57848	0.5
222.26497	0.4
246.20053	0.5
338.11938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01865	6.1
55.05502	6.1
57.03416	3.7
59.86492	0.5
61.02910	2.3
67.05493	8.4
69.03422	5.0
69.07043	3.1
70.28813	0.6
71.04965	0.8
73.02875	1.1
77.65924	0.5
79.05482	6.4
81.03408	2.5
81.07040	35.4
83.04967	1.5
83.08600	2.4
85.02886	17.1
92.09363	0.8
93.07021	2.7
95.08588	89.0
97.02876	4.6
97.06512	86.9
99.04455	0.7
99.08065	2.7
100.79306	0.6
105.07019	1.2
109.02864	1.0
111.08056	2.6
113.09637	6.7
123.08048	36.9
127.03917	1.1
138.06111	0.6
141.09087	100.0
147.04459	1.1
155.40254	0.7
159.10152	22.9
160.88371	0.6
163.03848	0.8
292.13641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.6
59.85275	0.5
67.05484	0.5
69.07065	0.7
72.24493	0.5
75.71557	0.4
77.50246	0.4
79.05482	0.5
81.07019	0.9
81.72964	0.5
82.18336	0.5
94.04178	0.6
98.97578	0.7
104.50880	0.5
109.10101	0.8
116.98619	0.8
119.51669	0.5
122.03610	4.4
128.93208	0.5
135.11670	1.1
137.05965	100.0
153.12706	0.8
182.15303	1.1
185.08000	0.5
279.10327	0.5
306.20544	3.4
313.15289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	4.3
53.03952	3.9
55.05496	17.9
67.05499	39.1
69.07042	20.2
70.58233	3.8
71.04967	28.6
79.05476	25.9
81.07037	44.2
89.06003	3.9
91.05461	47.1
92.65054	4.1
93.07026	47.1
95.04960	29.6
95.08584	93.0
97.06522	5.0
101.23415	3.7
103.64434	3.6
105.07008	99.7
107.08568	39.4
109.06509	8.7
109.10147	20.5
115.05434	5.6
117.07013	18.8
119.08557	78.6
121.10114	100.0
123.08054	8.9
123.11687	23.2
128.06229	8.0
129.06973	16.8
131.08543	46.8
133.10129	29.1
135.08057	24.1
135.11670	5.7
142.07764	20.0
142.74992	3.9
143.08511	34.5
144.09146	4.0
145.10117	63.0
147.11688	18.6
155.08522	16.7
156.09317	8.9
157.10104	40.4
158.10826	4.5
159.11670	23.4
161.09583	16.5
167.08519	17.0
169.10104	26.4
171.11638	18.8
173.13232	8.7
175.14700	4.9
181.10216	5.4
182.10875	8.3
183.11684	23.2
185.13200	7.8
187.11232	4.2
187.14778	7.2
195.11674	7.2
197.13252	19.6
202.13332	3.5
209.13376	5.5
211.14687	5.9
215.14343	4.5
223.14641	5.0
337.25162	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.18796	3.6
53.42614	2.6
55.05502	54.4
57.03436	39.1
57.07073	4.9
67.05495	92.0
69.07050	45.1
79.05485	21.6
81.07045	100.0
81.79469	4.3
83.08609	21.6
91.05464	21.0
93.07033	24.3
95.08586	81.8
97.10176	5.4
105.06978	7.7
107.08575	21.0
109.10150	26.3
119.08549	7.2
123.11681	7.0
129.08983	4.1
133.10143	4.3
189.06381	3.6
292.21213	3.5
337.23264	5.0
337.27286	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25784	0.6
54.12653	0.7
55.01844	0.7
57.03423	1.6
58.09480	0.7
61.02914	3.0
64.33981	0.7
67.05488	3.3
69.03416	5.6
69.07047	4.5
70.34536	0.7
71.03938	0.7
71.04974	24.0
75.86826	0.7
81.03389	3.8
81.07046	1.2
83.04962	0.8
85.02891	16.3
90.17212	0.9
92.09264	0.8
94.44984	0.8
95.04961	7.1
95.08578	1.5
95.71606	0.7
97.02888	7.6
97.06506	1.8
98.97581	1.5
99.04432	100.0
109.02858	3.8
113.05977	17.4
115.03938	0.8
115.07516	6.9
116.98637	0.8
120.55355	0.8
123.04418	4.1
123.08047	1.3
124.07604	1.5
127.03846	2.9
141.05449	19.4
141.09097	3.7
145.04922	0.8
147.04420	2.9
159.06502	87.3
159.10146	1.8
163.03889	1.6
176.09222	1.4
227.52625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01864	2.9
55.05508	3.3
56.96554	11.1
57.03432	10.8
57.20975	1.3
61.02923	14.4
67.05493	3.3
69.03423	28.1
69.07061	7.7
71.04970	2.4
73.02895	3.8
78.38739	1.3
79.05485	3.8
81.03408	12.8
81.07041	8.8
85.02898	100.0
87.04469	2.8
89.57949	1.6
91.03383	1.5
91.03949	7.1
91.05457	2.4
92.08633	4.6
93.07002	3.9
95.04949	2.1
95.08584	2.7
97.02884	29.4
97.06500	10.5
97.10181	1.8
98.97562	6.9
99.04456	3.4
101.28177	1.7
108.87429	1.6
109.02870	8.1
116.98598	3.5
118.58526	1.7
124.99122	2.9
127.03882	19.5
127.08688	2.3
133.10210	1.8
139.11162	6.8
145.04951	17.3
161.01231	3.0
163.03888	10.5
177.00612	2.3
180.08665	10.4
205.00287	5.9
215.06976	2.1
259.09531	6.6
288.92926	1.8
336.25150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
79.05466	3.2
84.59377	0.4
87.27050	0.5
89.03900	12.7
95.04953	6.8
98.97626	0.5
105.04490	0.5
107.04948	5.1
117.03358	18.9
121.02818	0.6
134.33055	0.4
135.04391	42.4
145.01688	0.7
145.02826	22.3
145.03935	1.2
150.05635	0.4
163.03877	100.0
164.04242	0.7
166.62738	0.6
177.06575	0.5
192.47423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.8
57.07066	54.3
59.98814	2.7
59.99099	50.6
67.05485	3.2
69.07047	1.6
72.08137	10.2
81.07059	2.3
88.02197	88.7
89.04236	1.7
89.06013	23.3
90.06328	1.7
95.08580	3.6
97.48266	1.6
106.71594	1.3
107.25104	1.3
116.05295	100.0
143.34689	1.4
148.02444	18.5
151.09636	14.4
152.09973	2.7
172.11522	20.3
204.08775	3.5
278.72034	1.7
336.32764	1.8
347.59396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.05508	2.2
57.03419	0.7
61.02907	0.7
61.04026	0.6
67.05478	0.3
68.39847	0.3
69.03422	2.2
69.07029	0.5
71.04978	0.5
73.06540	7.4
81.03404	0.6
85.02890	5.1
86.03562	0.4
90.09175	100.0
93.07021	1.3
95.08587	1.2
97.02874	1.3
97.06509	1.3
98.97587	0.7
99.08086	1.3
103.08688	3.3
121.10172	0.5
121.17346	0.3
127.03869	0.5
135.04448	0.4
139.11113	0.4
140.06387	0.3
147.04405	0.5
163.03902	0.6
175.14391	39.6
198.05519	2.4
234.12372	1.1
252.14369	0.4
258.42499	0.3
298.81088	0.3
337.08929	1.1
337.19644	0.4
346.13693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24179	3.3
53.03943	4.1
53.70093	2.9
55.01870	55.9
55.05512	41.9
57.03424	7.8
57.07064	3.4
60.26172	2.9
63.14515	3.2
67.05493	46.1
67.38897	3.8
69.03409	8.1
69.07053	33.2
71.04989	7.6
71.08614	32.6
72.07194	3.0
79.05048	5.8
79.05479	80.3
81.03413	7.2
81.07050	81.6
83.04977	69.9
83.08598	19.9
85.02917	6.9
85.06526	19.0
85.10164	5.2
91.05473	79.7
93.03408	13.3
93.07032	72.5
95.04942	37.4
95.08598	6.8
97.06524	16.0
99.04436	23.9
99.08083	19.3
103.05481	3.9
105.07021	65.2
107.04951	49.9
107.08594	47.2
109.06480	28.8
111.04431	100.0
111.08076	4.5
115.05481	13.2
115.63195	3.8
117.06995	63.2
119.08547	22.7
121.06493	21.1
121.10126	17.3
125.05982	7.0
125.09592	4.5
128.06256	7.5
129.07004	39.7
131.08574	80.5
133.06482	14.7
133.10123	15.9
135.08032	35.1
137.05969	7.8
139.11150	6.5
141.07001	25.9
143.08577	16.4
145.06554	5.4
145.10086	34.0
147.08070	5.7
149.05989	7.1
149.09584	28.9
154.07748	4.2
155.08548	31.2
157.10153	6.2
159.08058	16.0
159.11719	4.4
163.11211	5.1
167.10703	6.7
169.10126	29.2
171.11620	6.1
173.09607	14.8
177.09090	4.3
179.08469	5.7
183.11731	5.2
187.11172	18.6
189.12730	4.1
195.13904	6.6
201.12732	8.8
205.12234	6.9
211.87395	3.5
215.10733	11.3
233.15367	6.9
243.21306	3.8
250.12509	4.0
298.42300	4.0
299.19955	17.5
317.21072	24.8
335.22031	22.1
342.90921	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	335.2214
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
53.00300	3.1
53.03936	3.0
55.01867	32.4
55.05506	27.0
57.03436	3.5
65.03919	2.0
67.05498	31.3
67.90801	1.5
69.07054	100.0
70.89177	1.4
71.04982	16.3
77.34743	1.5
79.05476	63.6
81.03410	10.1
81.07036	24.4
83.04973	32.5
83.08587	13.8
85.02901	14.2
85.28271	1.3
91.05464	51.1
92.09141	10.4
93.03371	3.1
93.07026	70.6
93.97206	1.3
95.04943	25.7
95.08590	13.7
97.06511	9.6
99.04434	52.1
102.04396	1.5
105.04584	1.4
105.07011	43.5
107.04942	40.7
107.08578	74.9
109.06494	13.0
109.10133	1.9
111.04428	37.4
111.08044	3.4
115.05463	2.6
117.07005	30.0
118.13234	1.3
119.08559	11.8
121.06532	10.6
121.10123	18.8
123.08055	2.8
128.06209	3.2
128.08527	1.4
129.06964	21.6
131.04871	2.3
131.08542	35.7
133.06474	8.5
133.10135	7.4
135.08022	17.9
137.06017	1.6
139.11137	19.5
141.06981	10.7
143.08522	10.8
145.06483	6.5
145.10121	15.5
147.08063	3.1
147.11656	2.6
149.06071	1.8
149.09584	23.9
153.06972	1.5
154.07764	1.8
155.08577	8.1
156.09329	1.6
157.10153	3.6
159.08063	2.5
159.11685	5.7
161.09561	1.5
161.13264	1.7
163.11176	14.8
165.12726	1.5
167.10675	6.2
169.10022	11.9
171.11678	11.3
173.09651	13.5
173.13251	1.7
181.10002	1.7
183.11543	2.1
185.13216	1.4
187.11157	9.8
189.12717	7.2
191.10620	2.2
193.10013	1.6
195.11769	2.4
197.09630	2.6
207.13745	2.0
215.10645	1.9
215.14346	7.5
219.13806	2.9
229.50316	1.9
233.15541	1.7
240.65086	1.6
246.36932	1.7
281.18988	3.5
290.67331	1.4
299.20007	10.6
317.21240	13.5
335.21979	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84173	0.8
79.05467	1.2
81.07007	1.3
91.05493	1.1
95.08606	1.2
107.08564	1.3
118.49072	1.1
119.08578	1.2
121.10103	1.5
133.84462	0.9
177.27492	1.1
194.11760	1.2
215.51964	1.1
335.21884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72021	1.2
50.80220	1.2
52.66965	1.4
55.05507	6.1
57.03429	7.0
67.05491	14.5
69.07056	3.4
74.90078	1.4
79.05482	10.5
81.07038	16.4
81.61811	1.6
84.97380	1.4
91.05479	3.6
93.07043	9.1
95.08582	11.7
104.24325	1.5
105.07051	1.9
107.08597	6.5
119.08586	2.0
134.12703	1.7
335.21936	100.0
335.25729	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	335.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20164	0.6
55.01844	1.9
55.05490	5.2
57.03411	0.7
58.63778	0.7
62.64852	0.8
63.08147	0.8
67.05486	7.7
68.37012	0.8
69.03426	0.8
69.07045	1.8
71.04986	1.7
71.08616	3.3
73.54009	0.8
79.05463	5.3
80.32829	0.8
81.03405	1.3
81.07040	7.2
83.04933	1.3
83.08609	1.0
85.02860	1.0
91.05453	10.2
93.07007	7.3
95.04940	3.3
95.08580	7.7
99.08039	1.4
101.50544	0.9
105.07021	7.8
107.04941	2.0
107.08546	1.3
109.10134	4.6
117.06979	5.1
119.08553	5.2
121.06476	2.0
127.11078	1.0
128.06221	1.1
129.06972	4.1
131.08522	3.8
133.10114	1.3
141.06976	1.5
143.08549	3.3
145.10167	1.1
151.11108	1.1
155.08511	0.8
155.10651	1.5
157.10101	1.3
159.11600	1.0
181.10184	0.8
215.14429	1.1
218.88660	0.9
236.64162	0.9
299.20065	1.2
308.50027	0.8
333.60687	0.9
335.21835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60534	0.8
51.92101	1.0
55.05505	1.3
62.18033	0.9
65.79048	1.0
67.05493	4.8
69.07039	1.9
69.50626	1.1
72.60149	1.1
79.05467	2.5
80.15886	1.1
81.07043	4.5
90.96119	1.1
91.05472	1.5
93.07003	2.1
95.08599	2.0
107.08600	1.8
116.98659	1.8
133.13931	1.1
272.08295	1.0
319.11066	1.4
335.21857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.6
55.01869	3.3
55.05506	3.4
58.26374	0.7
67.05500	6.0
69.07062	6.9
70.84048	0.7
74.17496	0.7
79.05475	8.1
81.07043	8.2
83.04955	0.8
83.08629	0.9
91.05463	10.4
93.07026	6.5
95.04943	1.8
95.08578	1.3
97.06500	1.0
105.07021	6.7
107.04993	2.6
107.08582	3.7
109.06503	1.6
117.06967	5.5
119.08556	4.3
121.06493	1.3
128.37605	0.7
129.07004	3.7
131.08537	6.2
133.06514	1.0
133.10124	1.6
137.05945	1.1
141.07005	1.4
142.01527	0.8
143.08562	1.9
145.10098	2.9
150.29489	1.0
157.10143	1.2
177.05380	1.1
180.15877	0.8
182.99120	0.7
214.98543	0.8
233.11699	0.9
299.19849	0.8
317.21130	1.0
335.21890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24068	0.6
50.45919	0.5
51.56901	0.7
55.05493	1.0
56.05027	7.2
57.06856	0.6
57.07073	9.6
58.06595	12.2
60.04502	4.0
61.91156	0.7
70.06569	0.7
71.08616	4.2
72.08139	3.7
74.06066	6.6
75.04469	0.9
77.45518	0.8
86.06054	4.3
88.07615	65.1
100.07621	1.5
104.07091	4.3
118.08662	1.6
132.10178	19.5
162.11220	5.2
166.10693	1.7
242.24748	47.1
254.24710	1.0
286.27365	18.2
316.28348	1.5
334.29462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45090	3.2
55.05484	4.4
60.03484	3.3
68.08796	3.6
72.08141	100.0
74.45246	4.1
74.95477	3.5
82.24478	3.9
85.02912	4.2
93.65257	3.8
97.02881	5.8
97.42803	3.5
98.98476	22.5
111.04430	5.4
118.08630	38.7
120.69361	3.8
123.05548	34.6
137.02342	5.7
163.03951	8.9
173.00636	5.0
317.08417	9.4
335.09485	68.8
335.13046	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	335.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06506	0.8
54.67303	0.8
56.96557	28.7
69.03419	1.0
70.06550	1.4
71.66618	0.8
71.95251	0.9
76.27238	0.8
76.62710	0.9
81.03371	1.3
84.96015	14.9
85.02857	4.6
86.35147	0.9
92.08691	1.6
97.02851	1.7
98.97563	100.0
102.97025	2.1
110.97562	16.5
112.99117	1.0
116.98599	72.2
123.69929	1.0
124.99133	1.3
128.97737	1.5
128.98598	32.7
130.06512	1.5
131.00114	2.2
134.99643	31.4
135.04350	1.1
137.05898	1.8
140.98531	5.4
143.00131	10.2
144.08057	8.6
144.98076	2.3
146.05972	4.0
146.99628	27.5
149.01231	3.3
152.98592	14.0
153.00645	2.4
155.06882	1.1
158.99622	15.3
161.01175	15.9
162.99112	7.7
163.03879	3.6
165.00694	5.0
169.07590	1.1
170.01329	1.1
170.05968	1.3
170.99648	19.7
172.07516	1.3
173.01201	1.7
177.00693	18.4
179.02232	1.3
188.06943	4.5
189.00655	8.5
191.05795	1.6
195.01666	6.3
199.88902	1.0
201.00645	1.8
215.05809	1.3
219.01750	20.2
237.02785	56.5
237.05159	1.9
245.09258	1.3
255.03897	3.6
275.07977	7.4
293.09009	69.7
311.10019	9.4
316.10867	2.7
335.09961	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05496	0.4
81.07048	0.6
85.02898	0.8
89.43404	0.3
91.05457	2.2
94.04166	1.8
94.47086	0.3
98.97550	0.3
103.05492	0.4
109.02862	0.4
109.06461	0.4
111.04418	0.6
116.98647	0.5
117.86256	0.3
119.04910	2.6
121.01098	0.5
122.03616	6.7
125.05962	0.4
131.04930	1.9
134.32443	0.4
137.05959	100.0
147.04381	4.7
149.00571	4.4
153.05440	0.7
179.06998	2.5
181.03120	0.4
197.08110	0.6
207.10760	0.5
213.97780	0.4
241.38614	0.4
322.26538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01868	0.4
57.03415	1.1
61.02905	1.9
62.89710	0.2
64.33759	0.2
64.75921	0.2
65.03928	3.2
66.04700	0.3
69.03415	2.8
71.04958	0.9
72.08119	0.3
73.02891	0.5
81.03394	3.2
85.02891	10.9
91.03929	0.3
91.05452	0.5
91.55666	0.2
93.03382	4.7
94.04152	1.7
97.02875	4.4
98.97547	0.2
99.04422	1.0
109.02876	2.1
111.04420	14.6
122.03620	6.8
127.03918	2.2
137.02330	28.9
137.05956	100.0
145.04932	1.5
154.08575	0.2
154.44022	0.2
155.03369	17.7
172.09596	0.5
180.08612	0.4
281.06503	1.3
299.07623	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	334.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87951	3.6
52.82093	3.7
53.03924	5.3
54.81721	6.4
55.01861	21.0
55.05505	27.3
57.07058	10.5
67.05485	54.8
69.07043	24.8
72.27354	4.4
74.95913	3.9
79.05475	100.0
81.07047	56.6
83.04951	17.9
83.08590	6.7
91.05466	87.9
92.09358	9.2
93.07030	89.0
93.51051	4.8
95.04935	39.4
95.08591	53.1
97.06496	24.4
105.07017	90.2
107.04951	9.2
107.08562	65.9
109.06508	18.6
109.10159	6.6
115.05398	5.6
116.98589	8.2
117.07002	56.7
119.08564	46.6
121.06480	23.2
121.10131	31.2
128.06172	8.3
129.06952	43.1
131.08551	68.5
133.06468	21.6
133.10104	43.1
135.08031	9.2
141.06956	9.6
142.07791	6.8
143.08554	34.2
145.06468	7.8
145.10124	39.4
147.08054	18.5
147.11702	20.3
149.09630	8.8
155.08534	31.0
157.10129	8.2
159.08008	10.9
159.11667	9.2
161.09564	6.2
161.13249	4.8
163.11090	4.9
165.12735	31.5
169.10095	26.6
171.11659	44.2
173.09679	6.9
173.13271	4.6
175.11174	6.9
179.08562	5.4
183.11702	10.1
185.13208	7.3
187.11131	6.7
187.14758	18.1
189.12700	20.4
197.13252	10.5
199.14766	7.7
201.12688	6.2
205.67555	6.4
211.11229	5.4
211.14764	5.1
215.14307	25.3
225.65753	5.8
281.18954	20.8
289.21899	6.3
297.43091	6.1
299.19998	32.3
317.21017	43.5
334.27295	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	334.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01859	0.8
55.53112	0.5
55.93396	0.6
57.03422	3.1
61.02917	5.3
62.44461	0.7
65.03934	14.2
69.03417	9.3
71.01341	0.6
71.04966	0.8
73.02907	1.2
81.03417	6.4
85.02892	35.1
87.04457	0.6
91.03938	2.3
92.64079	0.7
93.00011	0.5
93.03385	28.5
97.02872	10.1
99.04443	0.8
109.02857	8.9
109.09901	0.5
111.04429	81.2
122.78177	0.6
127.03890	7.4
134.65999	0.6
137.02327	39.4
137.03313	1.6
137.05934	5.3
143.83902	0.5
145.04936	4.7
152.52190	0.5
152.58810	0.5
155.03372	100.0
156.64015	0.6
163.05940	0.9
166.59824	0.5
170.71019	0.6
180.08586	0.7
209.63452	0.5
232.21336	0.6
235.44034	0.6
281.06430	0.9
299.07565	3.2
301.08392	0.6
302.68488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84521	0.1
55.05505	0.3
57.03416	0.1
57.15812	0.2
61.02914	0.2
63.72863	0.2
66.04685	0.2
69.03409	0.7
71.04958	0.2
71.42342	0.1
71.42733	0.1
71.72025	0.1
75.80329	0.1
79.05465	0.7
81.03414	0.2
81.07030	1.6
83.08597	0.3
85.02898	1.6
85.76787	0.2
91.05431	0.3
93.06968	0.2
94.04172	2.1
98.97549	0.3
107.04948	0.2
109.06497	1.0
116.98560	0.2
122.03617	6.7
126.09147	3.5
127.07536	1.2
134.99638	0.3
136.52930	0.2
137.05957	100.0
145.04950	0.2
154.08621	3.4
155.06981	1.2
172.09639	3.1
250.25491	0.2
330.04459	0.2
334.09085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51574	5.7
53.03960	8.2
55.05505	31.9
67.05493	47.3
69.07060	99.0
79.00259	8.4
79.05463	32.9
85.06512	10.8
91.05455	90.5
92.08678	39.6
93.07041	17.0
95.04978	12.1
95.08606	8.8
98.58836	9.0
98.75547	8.2
103.42712	8.1
104.99503	7.6
105.07009	69.5
107.04936	100.0
117.07026	9.0
119.08555	81.7
123.08030	7.9
128.06206	9.2
129.07018	12.9
131.08528	10.0
133.10100	21.3
147.08028	12.8
161.09641	35.4
163.11180	17.0
171.08011	10.6
189.09123	8.9
333.15234	39.2
353.17908	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81706	1.2
62.30669	1.4
67.05539	1.6
71.43616	1.3
80.73949	1.2
87.04426	2.4
92.08802	1.8
105.07017	2.3
107.08589	1.5
109.10184	1.8
163.53882	1.5
175.21614	1.7
224.86375	1.5
333.16742	3.5
333.20273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
50.52378	1.9
52.08130	2.1
54.38966	2.6
57.07075	3.0
85.42194	2.6
88.04663	2.4
88.07652	3.6
104.44051	3.0
175.04698	2.5
221.13170	2.9
272.59363	2.9
284.23578	2.7
285.29642	3.9
315.19427	27.4
315.23004	3.5
332.31412	3.4
333.16769	3.4
333.20306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	2.0
53.03928	8.4
54.81978	1.8
55.01873	38.7
55.05507	19.3
57.03419	13.3
64.93162	1.6
65.03933	4.3
67.05492	53.7
69.03405	8.8
69.07063	22.3
71.04977	11.8
71.50017	1.6
73.02894	1.7
74.94136	1.7
75.41661	1.6
78.63600	1.9
79.05054	3.1
79.05480	70.7
81.03393	16.1
81.07039	100.0
83.04970	23.7
83.08614	2.1
85.02892	40.7
85.06540	11.0
91.05463	80.5
93.03374	3.1
93.07026	57.8
95.04951	30.3
95.08585	22.5
95.83253	2.0
97.06504	13.9
99.04436	20.1
103.05454	3.7
105.07014	68.7
107.04942	30.6
107.08588	25.1
109.06512	28.1
109.10159	11.7
111.04434	32.8
111.08091	7.5
115.05446	9.2
116.06195	3.4
117.07002	57.0
119.04945	2.3
119.08533	27.1
121.06512	22.4
121.10105	13.1
123.08035	57.9
125.09579	3.2
128.06216	8.0
129.06982	33.5
131.04915	3.5
131.08543	49.3
133.06479	13.7
133.10139	13.1
135.08022	23.9
137.05974	8.8
137.09627	17.4
141.06987	20.5
142.07756	4.2
143.08537	18.7
145.06465	14.8
145.10104	28.4
147.08028	8.4
149.05933	8.5
149.09630	11.6
151.07556	2.7
153.06999	2.1
153.09074	2.7
154.07782	2.9
155.08510	26.9
157.10086	10.9
159.08015	8.1
159.11655	9.5
161.09587	10.4
165.09125	3.7
166.07817	2.7
167.08487	3.9
169.10077	22.2
171.08000	2.9
171.11684	10.0
173.09607	12.9
177.09090	2.9
177.29395	1.9
177.38631	2.2
180.55873	2.2
181.10104	4.5
183.11703	3.9
185.09628	2.4
187.11116	22.9
191.10704	2.7
195.11688	2.7
197.09683	2.6
199.11183	2.7
201.12755	9.2
205.12250	8.6
213.12776	3.0
215.10655	10.7
231.13855	4.4
269.10709	7.5
273.69952	2.0
297.18527	10.2
301.06924	2.7
315.19461	21.6
333.20694	16.8
346.31827	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	333.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	5.7
55.05504	21.6
57.03442	3.5
57.07059	13.0
67.05499	41.2
69.07056	7.2
71.04974	4.5
71.08621	100.0
79.05476	49.9
81.03401	6.1
81.07041	32.1
83.04964	6.1
85.06530	7.7
86.96709	3.1
91.05460	75.7
92.09348	9.1
93.07030	29.6
95.04961	7.4
95.08603	16.8
99.08083	47.0
105.06992	30.9
107.08569	3.0
109.10158	4.1
117.06998	70.6
119.08549	27.7
124.27414	3.3
129.06984	19.5
131.08569	22.2
133.10139	7.3
133.76392	3.0
135.08104	3.6
141.06987	18.8
141.12721	6.2
143.08554	26.7
145.10123	20.2
147.07990	3.5
151.11137	32.6
154.74893	3.5
155.08571	4.0
157.10210	4.9
159.11678	6.7
161.09662	14.4
169.10051	29.0
170.20166	3.2
175.11331	3.5
175.87563	3.4
183.11801	2.9
185.13202	13.8
187.11208	18.7
199.11261	3.5
203.14294	4.9
219.13914	4.6
229.47580	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	333.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01860	2.6
57.03446	2.0
60.08247	2.0
60.12235	2.2
61.11248	2.0
61.93790	1.8
62.10647	1.7
65.03931	21.8
69.03419	5.0
69.07059	2.1
73.87065	1.9
75.08649	2.2
76.32929	1.9
76.81911	1.9
79.05472	13.1
81.03406	20.8
81.07062	3.4
85.02895	15.0
86.09698	10.1
91.05467	17.4
93.07022	3.9
94.04178	2.5
95.04950	9.0
97.02892	3.7
98.97535	2.4
102.04646	15.3
103.05453	4.5
105.07057	3.5
107.04926	17.2
107.08585	2.7
109.02850	29.4
109.06477	2.6
111.04451	22.4
117.03384	3.0
118.04153	2.2
119.04932	22.2
119.05744	2.1
121.02843	3.5
121.06465	19.3
121.30891	2.0
122.03642	4.1
123.04417	4.1
124.05199	2.6
130.04108	22.7
131.04903	13.7
133.02817	24.9
135.04384	44.9
135.05231	2.7
135.08043	8.9
137.02373	22.0
137.05956	100.0
138.03299	2.4
145.04926	2.5
146.03622	3.5
146.82632	2.4
147.04387	53.7
149.05972	39.0
150.05664	3.9
150.06757	59.8
153.05394	3.4
153.06972	10.0
153.09132	2.8
161.02391	2.6
161.05946	10.7
162.06725	39.6
163.03871	3.2
165.01811	3.0
165.05396	3.2
165.06947	3.3
169.06429	3.1
169.07639	2.6
177.05457	11.3
178.06187	5.3
179.03300	10.7
180.07741	2.9
181.06462	4.2
191.03392	9.4
197.07123	15.1
211.07478	2.6
237.05289	3.5
239.07201	2.7
243.07658	3.8
283.05777	15.4
285.07495	53.6
297.07489	2.8
315.08566	52.9
333.10474	20.0
333.15082	25.0
333.37442	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	333.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57785	1.1
60.53075	1.4
63.82589	1.2
72.75570	1.2
72.95569	1.3
85.02889	1.7
85.58221	1.3
91.01406	1.3
96.06811	7.2
108.08098	2.6
112.70738	1.4
125.07034	9.4
152.07005	6.0
171.06291	2.4
171.07610	35.2
187.04672	1.5
195.71349	1.3
301.08899	59.7
315.06558	6.5
333.07690	19.9
333.11401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1154
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
56.22066	0.8
57.72011	1.0
67.15030	0.8
69.03424	1.4
71.69448	0.9
72.08127	1.1
76.56625	1.1
78.03580	1.0
111.69788	1.1
114.66807	1.1
123.05517	2.4
127.51096	1.1
131.14478	1.0
136.06186	2.4
162.46333	1.0
229.64496	1.2
261.52719	1.2
262.59634	1.1
284.40411	1.0
295.89410	1.0
301.05423	2.3
301.08908	89.2
333.11520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
62.31069	0.5
69.03413	0.8
79.05457	2.5
81.03418	0.8
85.02887	1.0
91.05470	0.7
93.07043	0.7
95.04926	0.7
105.07003	0.6
107.04893	1.2
107.08527	0.8
109.02865	0.9
111.04478	0.6
112.03928	0.6
113.04132	0.5
117.06989	0.7
118.07319	0.7
121.06487	0.7
131.04883	0.5
133.02864	1.2
135.04391	13.9
135.07973	0.7
136.04733	12.8
137.02345	0.9
137.05956	6.3
147.04399	1.9
149.05956	1.9
150.06795	2.5
162.06735	1.7
163.03984	0.6
165.06898	0.5
171.09923	2.9
197.07100	4.2
209.07152	0.6
209.75786	0.6
212.30214	0.5
243.07584	0.6
273.08722	0.7
283.06003	0.8
285.07492	1.9
297.08643	0.6
315.09329	3.1
333.15128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95591	1.6
55.05539	1.9
56.96553	20.3
66.67395	2.1
67.05508	2.3
72.08153	2.3
79.82519	1.9
85.02904	4.1
86.68819	1.8
91.05479	2.5
98.97576	17.9
101.77254	2.2
102.03784	2.2
111.04459	2.4
112.04010	2.3
116.98608	10.2
124.07648	3.9
134.99646	3.4
147.04454	2.4
153.05467	3.7
163.04083	2.2
171.03275	25.1
189.04303	100.0
207.05388	67.2
231.05341	21.9
231.53745	2.2
249.06409	9.3
333.08450	59.0
351.09680	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	333.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01856	1.8
55.05524	2.8
65.03922	1.3
67.05505	1.4
69.03398	0.9
70.48820	0.7
72.08116	5.7
79.05480	5.1
81.03400	1.8
81.07047	1.9
81.19898	0.8
83.04972	1.2
84.04493	5.5
85.02883	4.5
86.09677	1.0
91.05447	4.0
93.03403	5.7
93.07019	1.5
94.04180	3.1
95.08540	1.2
96.04447	1.0
97.02878	1.2
97.06530	1.0
98.97619	1.2
105.03341	1.1
107.04937	11.1
107.08586	1.8
109.02918	0.9
110.09671	6.9
111.04493	2.9
115.05430	0.9
121.06509	1.2
122.03625	11.9
123.04426	1.4
129.06984	1.4
133.02841	1.9
135.04362	7.4
137.02364	1.3
137.05959	100.0
138.09125	5.4
139.03993	0.8
140.27357	0.8
141.06955	4.3
147.04378	1.8
149.02330	8.6
149.05962	1.5
150.06743	3.7
151.03862	1.6
152.06171	4.6
153.05707	1.2
153.06989	18.4
153.09045	1.3
153.12654	1.0
155.05061	0.9
156.10187	1.4
161.02313	1.6
163.03880	10.4
165.06956	6.9
167.03372	3.5
168.05731	3.7
169.06485	8.5
171.10156	1.1
174.11227	5.7
178.02635	1.3
179.03377	4.4
181.06439	19.4
183.08064	1.3
185.06093	1.1
186.07149	0.9
191.03345	4.8
193.06358	1.4
196.05176	3.6
197.05991	12.0
198.06813	1.5
199.07529	4.5
207.04413	4.7
209.05957	3.1
211.07535	8.5
213.05560	1.3
213.09131	1.2
214.06169	0.9
221.05927	1.2
225.05408	8.1
226.06252	1.6
227.06966	1.6
237.05522	1.8
239.06973	3.2
241.04971	1.2
242.05702	3.3
243.06531	1.3
253.04962	6.2
255.06436	1.4
265.04745	3.4
267.06433	2.0
270.05045	1.0
271.05939	5.6
283.05954	6.1
285.07529	41.4
288.06195	2.9
297.07562	5.1
297.18100	1.8
300.58344	0.9
303.08517	12.9
315.08698	12.3
333.20212	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	333.0967
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.03941	2.4
55.01860	2.6
57.03446	2.0
60.08247	2.0
60.12235	2.2
61.11248	2.0
61.93790	1.8
62.10647	1.7
65.03931	21.8
69.03419	5.0
69.07059	2.1
73.87065	1.9
75.08649	2.2
76.32929	1.9
76.81911	1.9
79.05472	13.1
81.03406	20.8
81.07062	3.4
85.02895	15.0
86.09698	10.1
91.05467	17.4
93.07022	3.9
94.04178	2.5
95.04950	9.0
97.02892	3.7
98.97535	2.4
102.04646	15.3
103.05453	4.5
105.07057	3.5
107.04926	17.2
107.08585	2.7
109.02850	29.4
109.06477	2.6
111.04451	22.4
117.03384	3.0
118.04153	2.2
119.04932	22.2
119.05744	2.1
121.02843	3.5
121.06465	19.3
121.30891	2.0
122.03642	4.1
123.04417	4.1
124.05199	2.6
130.04108	22.7
131.04903	13.7
133.02817	24.9
135.04384	44.9
135.05231	2.7
135.08043	8.9
137.02373	22.0
137.05956	100.0
138.03299	2.4
145.04926	2.5
146.03622	3.5
146.82632	2.4
147.04387	53.7
149.05972	39.0
150.05664	3.9
150.06757	59.8
153.05394	3.4
153.06972	10.0
153.09132	2.8
161.02391	2.6
161.05946	10.7
162.06725	39.6
163.03871	3.2
165.01811	3.0
165.05396	3.2
165.06947	3.3
169.06429	3.1
169.07639	2.6
177.05457	11.3
178.06187	5.3
179.03300	10.7
180.07741	2.9
181.06462	4.2
191.03392	9.4
197.07123	15.1
211.07478	2.6
237.05289	3.5
239.07201	2.7
243.07658	3.8
283.05777	15.4
285.07495	53.6
297.07489	2.8
315.08566	52.9
333.10474	20.0
333.15082	25.0
333.37442	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
55.05508	11.5
57.03429	8.1
57.07069	100.0
65.04491	0.7
67.05493	25.2
69.07054	15.1
71.04991	0.7
71.08617	64.5
75.04459	1.7
81.07037	27.5
82.66039	0.7
83.08601	15.1
85.09648	1.1
85.10170	31.1
89.05980	1.0
95.08590	42.4
97.10162	8.2
99.11681	0.7
102.85677	0.7
109.10146	14.8
111.11735	1.0
123.11681	7.4
137.13202	1.1
138.78226	0.8
151.14713	0.9
239.23645	14.3
257.24680	3.6
313.27328	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01871	2.1
57.03426	6.2
61.02924	11.5
62.94006	1.3
67.85147	1.2
69.03422	20.1
71.04981	3.2
72.07416	1.3
73.02911	2.8
81.03407	12.7
85.02894	100.0
87.04459	2.4
91.03954	3.5
92.08759	2.1
97.02876	26.2
99.04475	3.1
107.04945	35.6
109.02879	10.2
116.73588	1.5
119.04881	1.6
127.03894	18.6
145.04950	18.1
153.05441	7.8
163.06003	2.1
170.08081	3.7
173.05949	5.4
180.08658	10.1
219.06566	2.6
220.61115	1.5
234.04950	1.5
315.41306	1.5
332.13486	6.5
353.65738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01867	1.6
55.05500	10.0
55.18993	1.2
58.99577	2.7
67.05489	20.8
69.07059	2.4
71.04980	7.0
76.02205	11.9
79.05481	33.4
81.07043	24.3
83.04971	5.2
85.02902	1.7
86.99030	3.1
91.05463	55.5
93.07029	39.6
93.07576	2.6
95.04962	5.4
95.08592	1.6
97.06540	2.0
98.97524	1.9
101.05983	1.6
103.05434	1.5
105.00085	9.3
105.07017	100.0
105.96757	1.5
107.04948	1.9
107.08604	18.9
109.06520	7.3
115.05477	1.3
117.06987	2.1
119.08549	32.8
121.10135	27.8
122.02708	37.0
128.06178	2.2
129.06992	16.2
131.04951	2.7
131.08542	91.3
133.10117	49.4
135.11673	10.8
142.07774	6.1
145.10081	10.9
147.08044	2.6
147.11681	21.3
149.09589	7.9
157.10135	10.7
163.11145	6.8
175.11169	35.9
181.12204	11.2
193.12198	20.5
201.22815	1.4
265.17874	2.0
279.15945	1.3
330.84219	1.4
332.14932	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	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74195	0.9
53.03928	1.8
55.01870	2.8
57.03431	5.2
57.33365	1.1
61.02920	11.2
65.03934	1.5
69.03421	22.7
70.44001	1.0
71.04981	2.6
73.02905	5.0
81.03405	11.1
85.02894	100.0
86.09685	2.7
87.04434	1.7
91.03924	2.8
92.09366	2.2
93.03374	2.5
97.02875	29.0
98.97602	1.6
99.04434	2.3
100.04308	1.4
107.04947	43.4
109.02865	8.8
111.04437	15.1
112.04742	1.4
115.03948	1.3
116.98565	1.4
121.06480	1.2
125.05972	8.3
127.03884	18.9
133.06474	2.6
134.99625	1.5
135.08055	14.7
145.04965	16.7
145.06015	1.4
145.06566	1.3
145.10149	1.3
147.04393	4.6
153.05450	13.7
153.09067	2.1
163.03983	1.8
163.06003	2.0
166.25134	1.4
170.05309	1.6
173.05981	6.3
180.08665	4.8
201.09085	1.5
204.58353	1.1
211.05847	1.4
219.10176	11.5
243.10222	4.5
261.11133	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	333.0789
Annotation	N1-(2-Hydroxyethyl)flurazepam
Peak:m/z	Relative Intensity
73.02914	0.7
73.90850	0.5
84.04505	1.0
85.02883	1.0
96.06863	0.7
97.02862	1.0
101.07109	1.2
119.44640	0.6
123.05521	1.3
125.07131	1.3
127.03925	0.7
130.10820	0.6
136.06186	3.5
171.02669	4.2
171.07623	5.1
185.04245	3.0
210.81407	0.6
222.11507	0.8
245.06232	1.3
315.06833	17.4
333.07889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
54.81763	2.1
55.01863	2.4
58.13982	1.5
66.79205	1.9
67.05502	1.9
69.03380	1.8
69.07048	2.1
70.46966	1.5
71.45667	1.7
74.30716	1.6
79.05481	3.7
81.07042	6.5
84.24940	1.6
85.02902	3.0
91.05474	35.1
94.04192	4.0
95.04948	8.6
97.02872	2.8
97.06468	2.6
103.05455	7.6
105.07007	22.8
106.07333	3.7
107.04972	7.0
109.02871	2.0
109.06497	2.3
111.04437	2.0
115.05481	2.0
117.07009	2.4
119.04931	27.8
121.06518	3.6
122.03681	11.5
123.08065	2.2
128.06198	2.9
129.06992	18.7
131.04927	8.3
131.08542	2.0
133.06407	1.6
133.10115	9.7
135.08055	9.2
136.05223	7.3
137.05963	100.0
145.06488	4.0
147.04431	1.9
149.05963	8.0
151.03891	2.8
151.07533	66.6
152.06143	3.0
157.06470	10.5
161.05960	8.3
161.09534	2.0
163.07535	13.6
165.06998	15.3
165.09135	3.3
166.07784	3.9
167.08553	24.9
169.06497	2.6
174.06779	6.7
175.07481	6.5
177.07034	2.3
177.91589	1.7
178.07773	11.0
179.08447	2.9
181.06453	4.0
181.10019	2.1
182.07249	3.6
184.08809	2.0
184.70880	1.7
189.09056	18.2
191.08592	2.1
192.09319	2.3
193.06487	10.7
193.10112	12.2
194.07224	2.4
195.08046	35.8
197.05965	10.2
205.06491	1.7
206.07312	1.7
207.08199	2.7
207.10167	3.0
209.06058	2.3
209.09587	3.3
210.06781	12.7
211.07561	6.2
212.08330	7.1
221.05988	10.3
221.09598	11.1
223.07518	12.3
224.08243	7.2
225.09105	14.1
227.07080	3.3
227.10631	34.6
237.09155	2.3
238.06293	9.9
240.07770	3.2
248.70114	1.9
249.09109	2.7
252.07785	3.2
253.08643	15.2
253.12112	16.2
255.10168	21.7
267.10028	7.9
269.08078	3.7
272.10300	2.2
281.11697	4.0
285.11139	12.3
287.12756	35.3
313.14221	13.1
331.15347	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	331.1878
Annotation	AM4299A
Peak:m/z	Relative Intensity
59.10831	1.6
63.96900	1.7
65.39605	2.0
68.12415	1.6
76.10527	1.9
76.63719	2.0
96.24213	1.9
96.90386	1.7
102.14565	2.0
106.61655	2.0
200.51495	2.4
313.17737	35.1
331.18799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00304	1.3
55.05504	13.2
57.03431	6.8
57.07068	100.0
59.92148	0.6
67.05495	24.0
69.06718	0.8
69.07060	15.3
71.08616	57.9
75.04450	2.5
79.05486	1.0
81.07042	27.0
83.08603	14.8
85.10168	27.3
85.10659	1.3
86.76886	0.6
89.06049	0.9
93.07030	1.3
95.08586	37.5
97.10140	6.6
99.11715	1.0
100.50772	0.7
103.07564	0.8
109.10139	15.1
111.11674	1.2
123.11694	4.7
124.56226	0.7
125.13222	0.9
137.13239	2.5
139.14873	0.8
151.14784	0.7
185.02762	0.7
217.17241	0.6
221.22560	0.6
239.23683	17.6
257.24707	3.2
313.27307	41.4
330.33533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.05519	0.7
64.43041	0.7
65.03915	0.9
67.05482	0.7
79.05491	5.6
79.27031	0.7
81.07041	4.1
91.05466	42.6
92.09349	0.7
94.04158	4.8
95.04945	7.4
95.08567	1.0
97.06591	0.7
103.05443	6.8
105.04523	0.7
105.07015	5.8
107.04940	10.2
109.06491	6.1
111.04443	0.9
115.05435	1.7
117.03349	0.9
117.06991	1.3
117.65188	0.8
119.04138	1.1
119.04930	21.6
119.08495	0.7
121.06499	7.7
122.03626	11.7
123.04420	1.4
123.08012	1.2
128.06206	6.9
129.06989	23.1
131.04924	7.7
131.08553	1.6
133.06487	3.2
135.04391	1.3
135.08014	7.0
136.05211	4.6
137.05960	100.0
141.07048	1.5
143.04898	0.9
144.05693	1.3
145.06407	5.0
146.03627	1.3
146.07265	1.4
147.04431	3.1
147.08083	0.9
148.05176	1.3
149.05994	10.7
150.06673	1.1
151.03914	4.6
151.07521	70.1
152.06175	5.2
153.07002	2.6
154.07730	1.2
157.06465	13.6
158.07297	1.1
161.05954	21.2
161.09596	4.6
163.03929	0.9
163.07510	15.6
165.06967	20.3
165.09117	3.6
166.07733	5.2
167.07097	0.9
167.08531	26.8
169.06490	3.5
174.06749	9.0
175.07581	3.7
177.06961	3.7
177.09111	1.4
178.07748	10.9
179.08516	1.5
181.04929	8.5
181.06477	6.2
182.07217	7.7
183.07936	1.1
184.08817	1.3
189.09082	25.6
191.08562	2.9
192.09286	3.2
193.06473	10.4
193.10081	12.7
194.07260	4.6
195.08028	35.6
196.08833	1.5
197.05902	7.7
197.09633	2.8
199.07529	1.3
202.07835	1.7
203.08516	3.6
205.06407	1.1
206.07303	3.5
207.04285	0.9
207.08112	3.0
207.10173	3.5
209.05916	4.4
209.09592	4.8
210.06720	12.6
210.10100	0.7
211.07533	6.5
212.08299	5.1
213.09000	1.6
219.08067	1.1
220.08783	3.5
221.05989	14.5
221.09537	17.2
222.06699	1.0
223.07510	15.5
224.08308	6.4
225.05438	4.0
225.09056	15.5
227.07007	4.2
227.10617	28.0
231.07957	0.9
234.06831	0.9
235.07639	0.9
237.05444	2.6
237.09155	3.6
238.06215	7.8
238.09885	3.4
239.06992	1.1
239.10614	1.4
240.07712	5.6
241.08469	2.8
241.12289	1.1
249.09048	6.3
250.10028	0.8
252.07803	3.5
253.08574	17.0
253.12195	15.8
255.06538	3.1
255.10118	21.1
267.10153	8.1
269.08051	7.0
269.11728	1.4
270.08777	1.2
272.10361	3.5
281.11688	4.3
284.10406	1.3
285.08389	1.1
285.11197	14.0
287.12735	36.2
298.12021	1.0
301.14322	2.7
313.10953	1.9
313.14304	12.7
331.15375	10.1
335.76523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36744	1.0
55.01862	1.7
56.63762	0.9
63.17140	0.9
64.30532	1.0
65.03915	1.5
79.05457	5.9
81.07062	1.9
91.05464	45.7
92.08696	2.1
94.04154	5.5
95.04926	7.3
103.05429	6.5
105.07022	7.4
107.04931	10.5
109.06476	5.6
115.05431	4.5
117.07012	2.0
119.04920	26.4
121.06463	9.1
122.03616	11.9
128.06190	8.2
129.06984	25.1
131.04893	6.9
131.08505	2.7
133.06447	2.6
135.04396	1.9
135.08032	9.6
135.98315	1.1
136.05190	5.9
137.05956	100.0
145.06488	2.6
146.03645	2.2
146.07214	1.2
148.05164	1.8
149.05962	9.3
151.03891	4.6
151.07524	75.5
152.06206	7.1
153.06987	2.1
157.06444	13.0
159.04236	1.2
161.05954	16.6
161.09627	2.8
163.07509	18.1
165.06960	21.8
165.09064	2.8
166.07771	4.4
167.08527	29.1
169.06459	2.6
173.30165	1.0
174.06693	7.9
175.07501	1.9
177.06857	3.6
178.07742	14.3
179.08478	1.6
181.06430	8.9
182.07243	5.7
183.07956	1.8
184.08705	2.0
189.09076	23.0
191.08505	1.9
192.09383	2.2
193.06447	10.9
193.10074	11.2
194.07310	5.6
195.08035	40.2
196.08791	4.4
197.05957	5.9
197.09604	2.0
202.07755	1.8
203.08551	2.6
205.06454	1.3
206.07269	5.0
207.04382	1.4
207.08061	1.5
207.10043	1.9
209.05922	6.6
209.09550	2.7
210.06721	13.5
210.10320	1.3
211.07507	6.9
212.08241	9.6
221.05995	11.7
221.09506	13.5
222.06859	1.8
223.07414	17.4
224.08324	6.3
225.05559	2.6
225.09048	13.0
227.07079	3.7
227.10635	38.2
232.05896	1.3
237.05554	1.5
237.08981	2.6
238.06192	8.3
238.09795	2.5
239.06999	2.7
240.07755	5.1
241.08618	4.4
249.09073	2.6
252.07816	2.7
253.08556	18.3
253.12222	15.0
254.09062	1.5
255.06438	1.3
255.07207	1.5
255.10115	27.4
267.10098	7.2
269.07977	5.9
272.10437	4.2
281.11679	5.3
284.10272	1.8
285.11145	15.2
287.12744	37.7
298.11890	1.7
313.14304	13.1
331.15070	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36744	1.0
55.01862	1.7
56.63762	0.9
63.17140	0.9
64.30532	1.0
65.03915	1.5
79.05457	5.9
81.07062	1.9
91.05464	45.7
92.08696	2.1
94.04154	5.5
95.04926	7.3
103.05429	6.5
105.07022	7.4
107.04931	10.5
109.06476	5.6
115.05431	4.5
117.07012	2.0
119.04920	26.4
121.06463	9.1
122.03616	11.9
128.06190	8.2
129.06984	25.1
131.04893	6.9
131.08505	2.7
133.06447	2.6
135.04396	1.9
135.08032	9.6
135.98315	1.1
136.05190	5.9
137.05956	100.0
145.06488	2.6
146.03645	2.2
146.07214	1.2
148.05164	1.8
149.05962	9.3
151.03891	4.6
151.07524	75.5
152.06206	7.1
153.06987	2.1
157.06444	13.0
159.04236	1.2
161.05954	16.6
161.09627	2.8
163.07509	18.1
165.06960	21.8
165.09064	2.8
166.07771	4.4
167.08527	29.1
169.06459	2.6
173.30165	1.0
174.06693	7.9
175.07501	1.9
177.06857	3.6
178.07742	14.3
179.08478	1.6
181.06430	8.9
182.07243	5.7
183.07956	1.8
184.08705	2.0
189.09076	23.0
191.08505	1.9
192.09383	2.2
193.06447	10.9
193.10074	11.2
194.07310	5.6
195.08035	40.2
196.08791	4.4
197.05957	5.9
197.09604	2.0
202.07755	1.8
203.08551	2.6
205.06454	1.3
206.07269	5.0
207.04382	1.4
207.08061	1.5
207.10043	1.9
209.05922	6.6
209.09550	2.7
210.06721	13.5
210.10320	1.3
211.07507	6.9
212.08241	9.6
221.05995	11.7
221.09506	13.5
222.06859	1.8
223.07414	17.4
224.08324	6.3
225.05559	2.6
225.09048	13.0
227.07079	3.7
227.10635	38.2
232.05896	1.3
237.05554	1.5
237.08981	2.6
238.06192	8.3
238.09795	2.5
239.06999	2.7
240.07755	5.1
241.08618	4.4
249.09073	2.6
252.07816	2.7
253.08556	18.3
253.12222	15.0
254.09062	1.5
255.06438	1.3
255.07207	1.5
255.10115	27.4
267.10098	7.2
269.07977	5.9
272.10437	4.2
281.11679	5.3
284.10272	1.8
285.11145	15.2
287.12744	37.7
298.11890	1.7
313.14304	13.1
331.15070	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01852	2.1
57.03419	0.9
67.05501	1.4
67.05850	0.9
69.03410	2.5
71.04963	1.5
72.31225	1.0
76.43916	1.0
79.05479	5.0
81.07053	2.1
83.04987	1.5
85.02887	4.4
85.06517	4.2
91.05472	19.9
93.07052	1.2
94.04181	1.2
95.04957	5.3
103.05446	12.7
105.07013	12.0
107.04939	48.1
109.06508	4.7
109.10136	2.2
115.02765	0.9
115.05441	8.4
117.07022	1.1
119.04948	9.3
121.06481	10.0
122.03613	2.4
123.11647	3.9
128.06233	4.0
129.06990	13.3
131.04898	8.8
131.08562	3.7
133.02821	1.4
133.06520	3.6
135.04401	4.2
135.08015	8.3
137.05957	32.0
145.06505	1.6
146.07242	8.3
148.05209	4.6
149.05937	7.4
149.14529	1.0
150.06726	6.1
151.03873	2.0
151.07530	21.5
151.11180	1.2
152.06203	1.3
157.06491	6.5
161.05951	100.0
161.09579	25.1
163.07523	31.8
165.06970	7.0
167.08554	9.6
169.12184	14.2
174.06755	2.5
178.07855	2.0
181.06415	1.8
181.08655	2.1
182.07291	1.3
189.09082	30.6
192.74110	1.0
193.06522	4.7
193.10086	1.7
195.08000	10.4
197.06049	1.8
207.10153	20.2
209.09645	1.5
210.06770	2.5
211.07576	1.1
212.08388	1.2
217.00247	1.2
220.38765	1.0
221.05991	6.7
221.09558	4.6
223.07527	4.6
225.09094	4.5
227.07098	1.3
227.10583	9.0
229.08978	1.1
238.06190	1.8
238.30699	1.0
245.86461	1.0
253.08516	5.9
253.12204	2.3
255.10060	6.7
267.09976	2.0
285.11111	8.0
287.12561	9.2
313.14258	2.6
331.17368	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	331.1173
Annotation	Colutequinone
Peak:m/z	Relative Intensity
51.47214	0.3
59.42241	0.3
60.25107	0.3
75.93593	0.3
78.41574	0.3
78.78973	0.3
79.05472	0.7
81.07043	0.8
91.05462	0.6
92.08728	0.5
93.07023	0.5
94.04171	2.6
97.06483	0.5
122.03633	11.7
137.05963	100.0
138.06296	0.4
151.07480	0.4
181.40709	0.4
331.11719	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	331.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58071	0.7
53.03960	1.1
55.01865	10.0
55.24906	0.9
57.03424	5.7
61.02914	4.6
65.03905	0.9
66.98592	0.7
67.01859	3.9
67.05478	0.9
68.99775	4.0
69.03414	1.3
73.02900	2.1
75.86074	1.0
79.05477	2.3
79.94729	0.9
81.03393	4.2
84.04491	1.5
85.02890	28.6
86.09653	1.3
91.05460	6.5
92.09268	2.0
95.04940	5.6
97.02876	5.6
100.11282	1.4
103.03909	2.3
103.05431	1.6
105.03376	3.9
105.07000	20.4
106.07335	4.4
107.04938	4.2
109.02863	15.7
111.04435	1.3
115.05417	1.8
117.06959	1.3
119.04887	8.9
120.05244	1.3
121.02840	6.5
123.04409	19.1
127.03904	2.4
129.06937	1.6
133.06468	62.6
134.06816	21.6
135.04411	1.7
137.05968	5.0
139.03870	7.4
145.06497	4.3
147.04395	32.3
148.04724	2.3
151.03886	42.1
153.01811	1.1
157.06525	1.3
158.56842	1.1
159.04393	1.4
161.05974	6.2
163.03880	36.2
163.05188	1.9
165.05432	23.6
169.04926	20.3
173.05980	4.3
174.76422	1.1
175.03851	14.3
179.07025	1.7
181.04926	62.3
185.05858	1.1
187.03886	16.4
189.01819	4.4
189.05438	15.9
193.04935	100.0
199.03931	1.1
201.05431	5.5
203.06958	1.3
205.04913	17.0
207.02994	2.0
207.06497	28.7
211.05984	51.8
213.05511	4.2
217.04813	7.6
219.06493	3.8
221.04462	1.7
229.04929	23.9
231.06500	4.8
233.04465	4.0
235.04144	1.2
235.05960	54.9
241.04936	9.1
247.05968	76.2
259.05951	36.5
264.83368	1.0
265.07007	8.6
277.06982	15.4
295.08029	12.0
313.09085	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	331.102
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
55.01869	11.5
57.03411	6.1
61.02902	2.9
67.01846	5.3
68.99773	2.7
69.03407	2.1
73.02891	1.6
79.05477	2.4
81.03386	6.9
83.04962	2.3
85.02888	26.1
91.05449	8.7
94.64268	1.0
95.04966	1.8
95.74996	1.3
97.02884	3.0
103.03899	6.1
105.03332	1.9
105.07024	19.4
106.07339	2.8
107.04920	2.7
109.02858	17.7
115.05424	2.4
119.04905	7.2
121.02840	9.2
123.04412	16.3
125.05988	2.8
127.03880	6.7
133.06467	52.3
134.05939	5.2
134.06804	19.8
135.04333	4.9
137.05930	4.8
139.03851	6.1
145.02858	1.6
145.06488	5.1
147.04388	29.4
148.04726	2.7
151.03891	36.1
157.06566	1.6
161.05927	7.5
163.03867	36.3
165.05458	23.3
169.04912	22.4
169.08554	5.8
171.04321	1.9
173.05898	3.0
175.03838	15.0
179.07002	4.6
181.04912	70.0
185.05867	2.1
187.03839	13.7
189.01773	2.1
189.05452	15.5
193.04926	100.0
197.02321	1.4
201.05402	2.9
205.04874	13.7
207.02881	5.6
207.06491	31.7
211.05965	52.4
213.05409	1.4
215.03285	1.2
217.04941	6.7
218.05473	1.3
219.06462	2.3
221.04332	1.8
229.04936	23.3
231.06522	5.2
233.04445	2.8
235.05939	53.1
241.04895	12.5
246.83347	1.4
247.05963	74.7
259.05945	35.7
265.06979	6.7
277.07004	16.2
292.70029	1.3
295.07996	11.9
313.09161	2.5
331.13583	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	330.3362
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
50.09944	0.3
53.35366	0.3
55.05502	0.6
57.07068	11.5
58.06567	0.6
62.06066	0.4
69.07077	0.3
70.06578	18.6
71.08610	4.5
85.10162	1.6
88.07613	20.9
95.99049	0.4
102.09157	5.9
106.08014	0.5
106.08662	10.6
109.75093	0.4
167.05441	0.4
180.81606	0.4
181.01045	0.4
268.29797	0.6
286.31165	0.7
312.32468	9.3
330.33600	100.0
331.33859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62192	1.6
124.67284	1.9
130.95071	2.0
149.55183	1.9
194.75658	1.8
251.89163	2.1
299.07370	32.0
331.04126	3.7
331.09961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63416	1.4
51.39666	1.1
53.97207	1.2
55.01860	1.5
55.05499	7.7
56.05834	1.3
56.96548	1.8
57.03427	3.1
58.24756	1.2
59.29707	1.4
61.78939	1.2
64.56430	1.5
69.03413	22.1
70.03741	3.2
70.06570	1.8
71.01344	1.9
71.03849	1.7
71.04964	1.7
72.08150	2.7
73.02876	2.2
73.06528	6.3
75.04462	1.8
76.56210	1.6
81.03414	13.4
82.03726	1.6
83.04973	21.3
85.02898	14.7
85.06520	10.3
86.03247	1.6
90.54728	1.5
92.77093	1.4
97.02875	6.5
98.97564	9.4
99.04444	8.1
101.05990	27.2
102.06353	3.8
107.04935	1.8
111.04447	2.0
113.06015	2.2
114.06249	1.6
116.98608	2.6
127.03875	3.2
134.28796	1.6
134.63519	1.8
143.00105	1.6
145.04974	1.5
146.99605	1.9
149.01273	1.6
151.03868	2.5
163.03882	2.0
164.04240	1.7
176.98372	1.5
177.00665	2.2
206.05890	1.7
215.20465	1.7
234.99019	1.9
237.02699	3.1
271.07727	2.5
279.44455	1.6
299.07321	58.1
299.10513	2.9
331.09952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1022
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
55.01871	1.5
55.67537	1.0
57.03418	1.3
59.72367	1.0
61.02924	1.5
65.03928	37.3
67.05463	2.0
69.03410	7.4
74.74545	1.0
76.56536	1.3
79.05450	1.3
81.03389	1.8
83.04951	1.2
85.02895	13.9
92.08763	1.5
93.03384	29.1
95.04944	1.6
97.02865	2.8
98.97573	7.4
101.22165	1.2
105.07002	1.7
107.04958	4.9
108.01966	1.3
109.02856	5.2
110.03642	11.1
111.04430	100.0
116.98597	5.0
119.04905	2.2
121.02842	5.1
123.04438	1.2
125.05973	58.4
127.03864	1.5
134.99582	1.5
135.04411	1.6
136.04761	1.3
137.02309	7.7
138.02788	1.2
138.05530	1.5
145.02872	1.3
145.05153	1.3
147.04391	5.8
151.03885	33.2
151.05080	1.4
163.03897	14.4
164.04207	5.7
165.05519	1.7
168.44048	1.2
169.04930	74.8
169.42148	1.1
177.00635	1.4
181.04913	6.2
186.46782	1.4
193.04922	7.8
205.05026	1.3
207.06447	1.7
211.05962	1.7
229.05096	1.3
235.05994	2.2
237.02809	1.6
247.05992	5.1
261.02762	1.8
295.08298	1.8
331.09848	4.6
331.13412	10.9
333.43137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
55.01860	1.8
55.04018	0.9
57.03407	0.9
59.04984	1.4
61.02908	1.2
64.26292	0.9
65.03928	32.0
69.03413	13.1
70.06553	1.2
70.17781	0.9
71.04969	4.3
72.08197	1.0
75.04449	1.9
79.05465	2.5
81.03387	5.5
83.04961	1.3
85.02885	17.3
86.09674	1.2
87.04420	1.4
89.03899	1.6
91.05537	1.0
93.03376	30.3
95.04928	2.2
95.13081	1.1
97.02869	13.3
98.97564	1.2
99.04435	24.1
105.07011	23.4
106.07345	8.0
107.04942	1.3
109.02864	2.2
110.03638	11.7
111.04429	100.0
113.06000	1.5
119.04945	1.9
125.05975	45.6
127.03888	4.2
132.04489	1.1
133.06470	58.6
134.06790	24.8
134.99619	1.3
137.02295	5.0
141.05444	2.3
145.04886	1.8
147.04393	5.7
148.04709	4.4
151.03879	20.7
151.04990	1.8
155.03386	12.4
159.06483	1.5
163.03891	1.4
164.04222	2.4
169.04927	71.2
188.00989	1.1
215.51277	1.1
234.90604	1.3
331.13611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29239	1.6
51.83194	1.2
53.00302	2.4
53.03929	3.6
55.01868	14.1
55.05506	69.3
57.03433	15.2
57.07072	15.7
59.04991	1.7
65.03929	1.5
66.16257	1.8
67.05496	90.6
69.03394	8.5
69.06709	2.7
69.07057	45.4
69.12050	1.4
70.06554	2.2
71.04981	9.8
71.08619	19.4
73.06511	2.1
74.06050	1.8
79.05476	76.1
81.03402	7.1
81.07040	100.0
81.59852	1.5
83.04967	35.3
83.08598	24.6
84.18807	1.5
85.02888	2.5
85.06507	8.0
85.10125	1.8
87.04450	15.2
88.07609	3.6
91.05460	48.4
92.09274	1.8
93.07021	91.4
93.26228	1.5
95.04963	20.0
95.08589	58.4
97.06503	15.2
97.10141	11.2
99.08057	11.8
100.11231	1.7
101.05965	3.4
105.07014	30.2
107.04952	1.9
107.08586	38.8
109.06499	9.3
109.10149	18.2
111.08076	6.4
113.89442	1.5
117.07000	12.8
119.08556	20.8
121.06503	3.0
121.10126	21.4
123.08038	5.6
123.11700	8.2
125.09626	6.7
129.06976	7.7
131.08534	15.9
133.10095	26.6
135.08040	3.5
135.11679	18.2
137.09618	2.5
139.11156	37.3
145.10150	2.6
147.11699	17.4
149.13213	15.2
151.11192	13.4
152.27550	1.7
153.12704	1.5
157.10112	6.3
159.11684	13.3
161.13228	8.3
163.11113	3.6
163.14760	2.0
165.12691	3.7
171.11670	2.0
173.13240	2.1
175.11171	3.1
175.14737	5.9
177.12737	7.5
179.14282	2.8
185.13243	1.5
189.11188	2.4
193.12213	3.5
195.13792	30.4
199.14754	2.0
213.14690	1.8
241.19444	2.3
257.22568	1.8
259.20471	3.4
270.28088	2.0
277.21600	41.8
295.22620	28.5
330.29855	6.5
330.33524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03940	2.4
55.01870	11.5
55.05506	49.8
57.03437	11.3
57.07069	16.0
57.73703	1.1
58.06588	1.6
65.03930	2.1
66.47100	1.4
67.05494	88.4
67.06896	1.2
69.03416	3.3
69.07058	36.1
71.04983	7.6
71.08620	13.6
72.08137	6.7
79.05476	63.7
81.03395	6.2
81.07040	100.0
83.04967	24.6
83.08598	26.9
85.06528	7.6
87.04456	8.7
88.07616	3.3
91.05461	47.5
93.07024	88.4
95.04951	17.8
95.08005	2.8
95.08588	50.3
97.06506	14.3
97.10170	6.9
99.08064	7.6
101.05993	2.0
105.07008	30.4
107.04926	1.6
107.08579	40.2
109.06504	5.7
109.10145	17.9
111.08053	6.2
114.36339	1.4
117.07017	9.0
118.32631	1.4
119.08562	21.2
121.10130	17.0
123.11723	2.7
125.09605	3.2
129.07028	2.5
131.08530	12.3
133.10110	24.0
135.08028	2.3
135.11659	19.6
139.11156	24.4
143.08557	2.8
145.10124	2.5
147.08125	1.8
147.11644	9.9
149.09665	2.0
149.13242	24.6
151.11166	6.5
156.17430	3.1
157.10132	2.7
159.11612	14.3
161.13237	5.3
163.11205	5.9
165.12764	2.7
170.18927	1.7
173.11685	2.5
173.13141	1.7
175.14787	3.4
177.12694	6.7
185.13266	1.9
191.12175	1.2
193.12253	5.4
195.13766	33.0
206.99721	1.3
213.14850	8.1
231.20900	1.7
241.19508	1.6
256.26392	1.9
259.20578	5.1
268.30005	12.0
277.21533	23.7
295.22641	14.6
330.29892	5.5
330.33618	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.3
53.03926	1.8
55.01871	8.6
55.05509	51.6
55.22008	1.6
56.05846	2.2
57.03432	15.7
57.07066	4.8
58.69371	1.7
64.96621	1.6
67.05136	4.1
67.05495	100.0
68.05840	3.6
69.03418	4.6
69.07055	42.9
70.07393	2.8
71.04989	6.6
71.08633	3.3
79.05477	43.7
80.05815	4.4
81.03414	8.4
81.07041	99.8
82.07381	10.2
83.04959	14.7
83.08609	18.9
85.06512	2.2
87.72460	2.0
91.05469	34.5
92.09126	14.0
93.07021	51.2
94.07358	4.7
95.04970	14.2
95.08587	38.7
96.08916	3.7
97.06525	11.6
97.10168	9.9
99.08101	2.4
105.07013	23.4
106.07372	3.9
107.07959	1.8
107.08595	17.5
108.08917	2.7
109.06511	3.7
109.10149	38.4
111.08121	2.7
117.07012	4.3
119.08569	18.3
120.08926	2.9
121.10137	9.0
122.10513	2.5
123.08057	3.0
123.11713	7.9
125.09592	7.7
129.07002	1.8
130.61885	1.9
131.08582	4.1
133.10127	9.2
134.10501	2.6
135.11671	9.7
136.12035	2.6
137.09644	3.7
139.11151	3.4
143.08589	2.7
145.10114	2.8
147.11703	7.7
149.13211	2.8
155.10631	9.6
165.09062	2.5
173.11713	23.0
173.13095	2.8
193.12233	3.1
277.21555	17.4
295.22690	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39178	1.3
53.00293	1.5
53.03935	2.9
55.01863	13.1
55.05507	72.0
57.03433	17.5
57.07072	14.1
65.03921	2.0
67.05495	84.6
69.03429	12.4
69.07056	46.0
71.04968	9.7
71.08618	11.7
79.05478	67.4
81.03385	3.4
81.07044	100.0
83.04964	29.8
83.08616	23.1
85.06512	7.6
87.04449	1.5
88.07600	3.3
88.53633	1.8
91.05468	45.1
93.07027	92.9
95.04940	13.8
95.08584	57.2
97.06509	22.9
97.10134	7.7
99.08076	6.8
105.07020	30.8
107.04953	1.9
107.08589	40.1
109.06496	6.0
109.10143	15.9
111.08055	8.3
117.06996	13.3
119.08561	17.4
121.06473	2.0
121.10134	21.8
123.08061	2.7
123.11723	3.5
125.09615	2.7
129.06979	5.9
131.08553	14.4
133.10117	20.7
135.08026	2.4
135.11690	15.2
137.09584	2.6
137.13260	1.9
139.11176	22.0
141.49634	1.6
143.08554	2.6
145.10097	2.7
147.11630	10.3
149.09628	1.8
149.13235	20.8
151.11197	5.8
157.10072	5.9
159.11664	17.4
161.13251	6.7
163.11172	2.6
167.44382	1.6
177.12732	6.2
179.46509	1.7
185.13193	1.9
193.12270	3.0
195.13766	30.0
207.13811	2.8
231.20963	2.0
249.22192	2.0
259.20746	2.2
277.21606	32.4
295.22632	31.3
297.60599	1.7
330.17676	2.5
330.30096	2.9
330.33578	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	41.1
55.05509	51.7
56.69841	5.7
57.07062	13.1
61.74379	5.1
67.05493	50.0
69.07056	25.6
70.06564	8.9
71.08610	33.1
72.70806	6.0
76.21196	6.5
76.56402	7.0
79.05485	27.4
81.07034	67.3
83.04955	24.4
83.08611	44.6
87.04455	30.5
88.07623	8.0
91.05463	32.5
93.07015	31.9
95.04990	6.7
95.08579	36.8
97.06523	10.5
98.97551	6.6
99.08071	9.8
100.89398	5.2
102.09138	8.9
104.48439	6.6
105.07002	26.6
107.08571	24.2
111.08056	39.9
119.08581	11.6
121.10093	11.0
133.10107	25.4
147.11641	12.0
149.09624	9.1
151.11104	10.8
159.11685	6.1
161.13350	7.8
165.12694	26.5
240.84360	8.0
259.20673	7.3
268.30197	11.9
270.27792	11.0
277.21609	100.0
287.95325	6.3
295.22629	69.8
330.29984	37.4
330.33698	39.2
331.18646	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01871	3.1
55.05508	81.6
57.03442	1.5
57.07045	2.1
59.05000	1.1
67.05496	25.6
69.03414	8.5
69.07050	15.3
71.08620	5.8
79.05470	20.5
81.03381	2.2
81.07043	26.2
83.04962	7.0
83.08605	58.7
83.09092	2.2
91.05470	6.5
91.16897	1.1
93.07040	11.6
95.04958	2.0
95.08585	2.4
97.10152	100.0
98.98498	1.7
99.08083	3.0
101.09639	1.5
105.07029	3.1
107.08574	31.3
109.06550	1.6
109.10154	5.8
111.08054	1.7
119.08566	2.9
121.10172	1.9
125.09611	72.7
125.10541	2.6
133.10103	2.7
135.08041	5.8
135.11665	1.9
151.11174	5.3
153.09084	4.8
171.10162	6.0
189.11200	72.4
193.15950	1.5
253.53513	1.4
259.20599	2.0
277.21555	42.3
295.22571	12.8
316.78720	1.4
330.20435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
54.81741	0.1
55.01855	1.1
56.51202	0.2
69.03415	0.4
69.27654	0.2
77.75864	0.2
79.05476	3.1
80.84912	0.2
85.02880	1.2
86.03208	0.2
89.03900	0.2
91.05441	0.9
95.04936	0.4
97.02876	0.3
103.05448	1.9
105.07012	36.8
106.77946	0.2
107.04932	0.9
113.61121	0.2
114.37333	0.2
115.05424	0.9
117.03309	0.5
119.04951	0.9
121.02885	0.4
121.06461	0.2
131.04924	0.8
132.04405	1.7
133.06468	100.0
135.04387	1.3
145.02817	0.9
147.04402	2.0
163.03854	4.6
281.34869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2057
Annotation	2,7-Dihydrohomoerysotrine
Peak:m/z	Relative Intensity
55.05508	1.0
57.61043	0.5
60.96467	0.5
65.01086	0.5
67.05481	1.3
68.63895	0.6
76.22041	0.5
79.05481	1.4
81.07050	0.5
85.05087	0.5
89.99088	0.5
91.05469	0.8
93.06988	0.6
96.08086	2.6
98.06660	0.6
98.98431	2.8
105.06999	2.5
107.08556	1.0
115.05488	0.7
117.06976	7.6
119.08544	6.4
128.06015	0.6
130.07800	0.8
131.08519	1.1
133.06516	0.6
133.10106	1.1
143.08534	2.9
145.06570	0.7
145.10097	17.8
147.08000	2.4
147.11662	3.8
155.08522	3.7
157.10068	0.8
158.07234	1.0
159.11710	0.7
167.08626	0.6
169.10165	1.0
171.11664	1.4
173.05928	3.8
173.09598	6.4
181.10010	0.9
183.11610	2.8
188.10646	1.2
192.09334	0.7
196.12521	0.8
197.13203	3.3
201.09157	2.6
207.11539	0.7
216.10173	91.0
225.12785	1.1
225.16292	0.9
244.13278	42.7
245.13681	0.8
252.13855	2.8
253.12297	1.0
253.15860	0.9
270.14832	23.3
270.17688	1.1
281.15396	1.4
298.17969	32.8
302.17532	6.3
330.20584	100.0
331.21048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99475	9.1
53.73250	8.1
54.68346	10.6
55.05495	43.6
57.07061	69.4
57.12625	9.4
64.33723	9.7
67.05484	25.9
69.07037	41.7
70.77472	11.8
71.08617	53.8
76.87971	12.0
79.05482	16.2
81.03416	12.0
81.07034	27.3
83.04945	18.5
83.08641	12.5
85.10168	70.8
87.04439	12.5
88.07632	13.1
91.05448	61.9
93.07024	18.2
95.04919	19.0
95.08598	56.2
99.08080	23.0
105.07015	19.3
107.04885	20.9
107.08604	12.0
107.81371	12.4
113.09621	45.3
147.11693	12.5
165.12721	55.5
277.21631	56.1
295.22690	100.0
300.08041	10.5
304.92062	12.4
316.09760	11.9
330.29739	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	329.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
56.48631	1.0
56.96547	1.3
69.03400	2.2
70.49933	1.4
73.02887	1.1
81.03374	1.5
85.02876	1.6
90.00813	1.2
92.08678	1.7
97.02841	2.0
98.97546	2.1
98.98436	2.5
113.05988	1.5
117.03298	1.2
123.04400	8.3
134.52875	1.3
137.05923	2.9
140.05646	1.2
163.03879	3.2
167.06770	100.0
185.04161	5.9
250.03859	1.9
278.47498	1.3
329.08209	2.7
329.12024	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2321
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.58344	1.6
54.16784	1.4
55.01876	14.4
55.05507	84.3
56.18605	1.6
57.03429	4.5
59.04978	1.9
67.05489	29.4
68.64964	1.8
69.03408	7.2
69.07047	17.0
69.90187	1.5
71.04970	3.3
71.08614	16.5
75.30116	1.6
79.05478	37.1
81.03415	21.3
81.07034	39.0
83.04977	20.5
83.08609	44.0
91.05457	18.3
93.07022	22.9
95.04946	40.4
95.08590	10.5
97.06516	2.2
97.10152	53.6
99.08080	7.3
105.07014	13.8
107.04946	7.3
107.08577	29.8
108.56197	1.9
109.06487	7.2
109.10151	8.1
111.04429	10.1
111.08083	7.1
117.06942	6.2
119.08561	2.7
121.06435	2.4
121.10112	10.0
122.96156	1.8
125.09622	30.2
129.06941	2.6
131.08557	12.1
133.10049	6.6
135.08037	4.1
135.11693	7.2
145.10065	4.1
147.08076	2.7
147.11629	3.2
149.09575	10.9
153.09081	13.2
157.10146	3.1
159.11679	2.1
163.11148	23.7
165.12764	7.8
167.10582	2.4
171.10204	2.2
173.13284	1.8
175.11227	3.7
177.12712	2.7
184.98611	2.0
189.11249	14.4
193.12216	7.7
195.13802	8.5
211.13229	3.9
223.13306	3.2
262.09671	1.9
275.20016	10.7
293.17725	3.2
293.21057	100.0
303.60559	1.9
311.22083	31.7
335.01749	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	329.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49947	0.7
53.59081	0.7
55.95378	0.7
56.96555	0.8
57.03423	1.6
59.04993	34.8
59.15085	0.7
60.05326	3.9
61.02921	1.3
62.66745	0.7
69.03398	1.7
73.06540	33.6
74.06870	5.8
79.05475	1.0
81.03394	1.1
85.02886	6.9
89.03899	10.8
92.09319	0.8
95.04933	0.9
98.03237	0.9
107.04964	4.9
117.03363	14.1
117.09084	1.6
119.01938	7.0
119.02621	0.8
121.02782	0.9
123.04399	0.9
135.04399	36.1
137.05960	1.7
145.02818	20.9
147.04376	1.2
149.05843	1.4
149.11705	13.0
150.12062	4.8
161.02974	2.1
163.03873	100.0
167.06847	2.0
170.99654	0.8
183.83034	0.8
186.36397	0.8
203.05179	7.9
269.05756	1.0
314.33127	0.9
329.12030	99.8
329.15430	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	329.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77954	0.9
51.40578	1.2
53.03950	1.8
55.01861	2.7
56.96546	1.5
57.03442	2.2
57.07056	1.3
57.82547	1.1
59.04976	1.7
60.48819	1.0
61.02931	1.4
61.57301	1.1
62.40981	1.0
67.05499	4.9
69.03409	13.1
71.01329	1.3
71.04988	1.9
72.08129	5.8
73.02890	7.8
79.05482	5.8
81.03414	5.7
83.04962	1.4
84.70613	1.1
85.02885	12.5
85.06532	1.7
87.04445	1.3
87.12715	1.5
89.03907	3.0
91.05463	4.9
93.07020	1.9
95.04927	9.8
97.02866	14.4
98.03170	1.2
98.98457	1.4
99.04468	1.6
103.05416	1.3
103.07583	8.3
107.04955	2.0
109.02887	1.8
111.04434	7.5
113.05984	6.8
115.03928	8.5
117.03346	5.7
120.08127	6.0
121.02844	35.3
121.06494	4.6
123.04410	100.0
125.02369	2.7
127.03909	2.9
131.06999	2.3
132.08130	1.9
135.04396	12.9
137.02335	58.4
137.03409	6.8
145.02827	9.1
147.04367	1.8
149.05969	16.6
149.08070	4.7
163.03885	30.9
167.03290	7.3
167.07011	13.0
215.46996	1.2
329.08408	3.0
329.11902	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	329.064
Annotation	dithiogliotoxin
Peak:m/z	Relative Intensity
51.88263	1.1
62.84033	1.3
65.03943	1.4
65.28381	1.2
65.96594	1.2
85.02896	2.0
95.04993	1.7
105.70696	1.4
119.05004	1.5
121.02844	2.7
135.04436	2.6
137.02260	10.1
137.06006	1.6
149.02350	6.6
153.01807	1.8
161.02339	2.8
163.03870	2.0
167.03354	12.5
177.01778	3.3
195.02925	7.9
222.53214	1.7
245.04437	2.1
255.06429	1.8
269.04306	3.4
272.06836	2.4
283.06015	19.3
286.04697	6.3
297.03983	8.8
299.05362	15.5
300.06213	20.1
311.05655	11.9
329.06528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
51.47255	0.2
55.05494	0.2
56.98508	0.2
58.78832	0.3
72.08138	1.4
79.05487	0.3
81.07059	0.4
87.76201	0.2
91.05465	0.6
92.09309	0.7
94.04144	0.3
95.04953	1.2
98.98410	0.3
105.03346	0.5
107.04958	0.4
109.06535	0.3
110.03671	2.5
121.02827	0.5
121.06461	1.2
122.03641	1.6
123.04404	5.0
134.03589	2.1
135.04445	2.0
136.05197	2.0
137.02423	0.3
137.05968	11.2
138.03050	0.4
147.04463	0.3
148.05179	1.4
149.06000	1.1
150.03181	0.3
151.03882	4.9
152.04707	1.2
153.07050	0.4
161.02332	0.3
163.03876	1.1
164.04723	0.5
166.95985	0.3
167.03374	1.4
168.04185	0.4
169.06526	0.4
175.03859	1.4
176.04671	0.3
177.05428	0.6
179.03418	1.2
180.04196	1.1
181.04932	14.9
181.06293	0.6
184.03662	0.5
192.04146	9.7
193.04962	0.4
197.05940	2.1
198.05113	0.5
205.04967	5.3
207.06523	0.6
211.03801	0.4
211.07497	1.5
212.08379	0.7
212.85809	0.3
213.09041	1.0
214.06177	0.4
215.06970	0.7
224.04797	0.3
224.08304	0.5
225.05464	4.0
226.06142	1.1
227.07002	1.8
228.04053	0.4
229.08525	1.4
237.05466	0.5
239.06987	3.1
240.07768	4.2
241.08588	1.9
243.06480	2.6
249.17398	0.3
251.06953	1.7
252.04129	0.5
253.04880	3.2
254.05748	2.3
255.06387	1.5
256.07361	0.4
257.08154	1.9
258.08817	0.4
265.04825	1.1
266.05615	0.3
267.06479	10.1
268.07269	6.1
269.08044	4.0
270.05206	1.4
270.08817	0.4
271.05969	7.9
272.06580	0.4
273.11188	1.7
279.06451	3.1
281.04422	0.5
282.05154	1.1
283.05951	5.2
285.07510	9.9
286.08316	0.7
295.05963	6.5
296.06778	7.2
297.07516	22.4
298.04651	1.1
298.07864	0.3
299.05515	4.5
300.06293	1.7
311.09009	0.4
313.07028	15.0
314.07773	13.3
329.10138	100.0
330.10361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01869	3.3
55.05508	32.1
57.03422	7.8
57.07077	1.4
57.53983	1.3
64.70251	1.3
65.03944	1.4
67.05495	69.0
67.26684	1.4
69.03409	7.4
69.07053	45.1
71.04983	1.7
79.05474	47.3
81.03400	9.0
81.07041	100.0
81.73598	1.3
83.04969	10.2
83.08596	12.1
85.06535	2.9
91.05462	42.2
93.07029	56.2
95.04958	17.7
95.08584	30.8
97.06554	10.2
97.10157	1.8
99.08075	1.6
100.66740	1.6
105.07013	33.8
107.04950	1.6
107.08582	32.5
109.06501	8.3
109.10121	12.7
111.08081	3.1
117.07001	12.4
118.79613	1.4
119.08575	24.4
121.06491	2.4
121.10140	15.5
123.08049	2.8
123.11697	2.8
129.07013	5.2
131.08537	14.3
133.10112	25.0
135.08009	1.7
135.11667	29.0
137.09644	1.8
145.10121	11.2
147.11642	10.5
149.09570	2.8
149.13239	9.9
151.11223	1.6
157.10155	1.8
159.11656	7.9
163.11176	8.4
177.12746	2.0
181.12190	18.0
183.11635	1.6
193.12286	1.7
195.13754	10.4
199.13329	3.2
208.63579	1.4
235.16829	2.7
245.89116	1.4
275.20035	22.5
293.21158	7.1
307.91040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75897	1.1
53.03938	3.0
53.33353	1.2
55.01859	5.3
55.05508	34.5
56.05027	1.5
57.03423	9.5
57.07058	3.4
59.28140	1.2
61.23201	1.2
67.05492	75.7
68.00447	1.5
69.03422	2.4
69.06676	1.6
69.07056	43.3
71.04974	8.3
71.66628	1.3
73.18045	1.3
79.05474	53.5
79.97840	1.4
81.03392	11.2
81.07037	100.0
83.04967	13.9
83.08603	10.7
85.06538	3.1
91.05460	44.2
93.07024	49.9
95.04959	17.6
95.08585	38.3
97.06515	10.8
97.10159	3.3
99.08076	1.9
105.06359	2.6
105.07016	40.2
107.04961	3.3
107.08585	27.7
109.06480	11.3
109.10162	10.6
111.08103	2.7
114.01791	1.3
115.05440	1.3
117.07013	11.8
119.08543	25.1
121.06459	5.1
121.10095	12.6
123.08064	5.7
123.11689	8.9
125.09641	1.8
129.06932	5.5
131.08540	14.0
133.10091	20.2
135.08029	2.9
135.11679	19.8
137.09608	3.3
145.10086	12.1
147.11658	14.1
149.09616	5.5
149.13240	7.4
157.10107	2.0
159.11674	7.3
163.11133	5.0
165.12682	1.6
171.11624	2.3
173.13257	2.1
181.12230	14.6
195.13824	10.2
212.16264	1.8
239.17827	1.2
247.20532	2.4
248.11371	1.5
275.20007	22.7
293.21002	6.0
296.90604	1.4
328.18912	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.6
53.03944	3.5
55.01870	33.5
55.05501	38.5
56.48255	1.8
57.03415	3.0
57.07074	4.2
58.22813	1.7
61.91351	1.6
67.05495	90.0
68.05816	2.1
69.03402	4.7
69.07051	31.0
71.04984	17.0
72.07640	1.9
78.79329	1.9
79.05482	50.8
81.03397	11.9
81.07043	93.7
83.04971	13.4
83.08612	12.0
85.06540	10.9
91.05461	57.8
93.07036	49.3
95.04955	25.4
95.08583	44.1
96.08963	2.5
97.02862	1.9
97.03596	2.1
97.06516	9.9
97.10155	2.5
99.04459	3.7
105.07013	71.7
105.07658	3.5
106.07339	2.3
107.04955	9.8
107.08584	57.2
109.06499	14.5
109.10146	100.0
111.08057	2.3
113.06023	2.7
117.07022	11.7
119.08547	22.3
120.08920	3.0
121.06527	10.0
121.10113	18.3
123.08060	11.8
123.11691	17.5
127.07520	4.2
131.08574	12.3
133.10101	85.6
135.08064	2.9
135.11659	9.4
137.09590	16.2
145.10123	10.4
147.11670	4.8
149.09647	8.2
151.11165	47.6
157.10118	2.1
159.11736	3.1
163.11136	7.9
165.09099	3.5
169.12225	15.8
173.13237	2.5
177.12744	3.6
194.57030	2.0
215.12752	4.1
237.14938	2.0
247.20456	3.5
266.27435	2.1
275.19986	39.3
293.20996	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01871	10.1
55.05504	81.5
56.96564	1.3
57.03415	1.4
59.04974	1.7
59.44239	1.1
67.05492	28.1
69.03404	8.2
69.07056	58.3
71.04977	1.6
79.05471	44.8
81.03414	1.5
81.06598	2.2
81.07041	36.5
83.04965	9.3
83.08603	58.8
85.06567	1.2
86.35335	1.0
91.05464	19.5
92.08638	2.9
93.07024	16.8
95.04937	4.9
95.08575	12.1
95.38464	1.2
97.06523	5.3
97.10148	100.0
101.09586	2.8
102.92742	1.2
105.07016	25.9
107.04893	5.3
107.08582	82.0
109.06493	7.3
109.10159	5.3
111.08027	1.3
117.07007	5.0
119.08574	11.6
121.06492	1.4
121.10096	5.6
123.11630	1.7
125.09610	70.3
131.08554	6.7
132.92256	1.3
133.10112	13.5
135.08051	8.5
135.11659	6.6
143.10646	1.7
145.10133	6.6
147.11661	9.9
149.09596	9.6
151.11147	1.3
153.09074	2.8
159.11693	5.1
161.13145	2.2
163.11086	2.0
171.10109	5.2
171.11516	1.2
179.14282	1.6
189.11186	54.6
257.18857	5.6
275.20013	64.9
293.21060	10.4
345.74561	1.4
347.15244	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
54.81887	1.8
55.01865	10.4
55.05508	37.6
57.03425	8.7
57.07061	2.1
64.52705	1.7
65.03929	2.3
67.05495	89.6
69.03416	4.4
69.07055	35.8
71.04983	8.0
79.05478	84.1
80.21638	1.7
81.03410	7.8
81.07040	100.0
83.04959	11.5
83.08601	15.0
85.06533	4.4
91.05463	77.8
93.07024	97.4
95.04954	32.0
95.08587	48.2
97.06512	11.2
97.10165	3.5
98.98459	2.3
105.07008	50.9
107.04964	4.3
107.08568	36.2
109.06505	8.1
109.10134	26.3
111.08031	2.8
117.06996	15.0
119.08553	42.7
121.06475	8.6
121.10123	25.7
123.08059	4.1
123.11704	4.1
125.09573	2.9
129.06975	4.2
131.08543	19.6
133.06558	2.1
133.10112	28.5
135.07973	3.3
135.11687	14.4
137.09619	7.0
143.08536	3.2
145.10114	12.0
147.11676	17.5
149.09624	3.4
149.13242	7.6
151.11139	2.6
157.10081	2.0
159.11703	9.7
161.13275	3.2
163.11098	4.0
171.11684	3.4
173.11790	6.6
173.13199	3.5
173.94833	1.7
181.12228	4.5
195.13759	3.4
235.16878	9.1
257.18906	2.3
275.19986	23.8
293.21155	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01860	2.3
55.05499	4.7
57.03423	12.6
59.04966	1.9
61.02913	11.6
69.03416	43.2
71.01319	1.5
71.04979	2.7
72.08136	64.2
72.39086	1.1
73.02901	11.2
81.03402	12.8
85.02887	100.0
87.04435	5.0
91.03941	6.3
95.04925	1.6
97.02868	28.4
99.04414	9.2
101.02321	1.8
103.07556	2.4
105.29606	1.3
109.02856	10.7
113.02322	2.5
113.06022	1.8
115.03906	1.5
118.08616	22.6
126.74911	1.2
127.03889	47.0
128.84779	1.2
131.03357	9.9
131.07111	1.7
145.04932	31.6
149.04434	2.0
153.05548	1.3
163.06013	6.5
173.04399	5.0
180.08644	1.7
182.21379	1.3
253.98608	1.5
257.06479	7.0
275.07623	14.1
310.11429	8.7
345.10583	1.4
345.37869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
57.03419	1.1
58.88412	0.2
61.02920	1.7
62.19347	0.2
69.03423	2.5
71.04963	0.4
73.02877	0.4
81.03413	1.3
83.01332	0.3
85.02897	9.8
86.22101	0.2
87.04442	0.3
89.46526	0.2
91.03961	0.3
91.96610	0.2
95.04967	0.3
97.02892	3.0
103.05455	29.2
103.89945	0.2
107.04925	0.4
109.02856	0.4
126.81204	0.3
127.03925	1.2
131.04913	100.0
132.05275	0.3
133.06522	0.2
133.52815	0.2
138.65215	0.2
145.04967	1.2
149.05965	23.9
164.72957	0.2
166.08627	1.0
180.08604	0.6
299.33157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.10432	0.4
54.02277	0.5
55.05516	3.6
57.03429	2.0
57.27430	0.4
61.02914	1.1
67.05490	0.5
67.23119	0.5
69.03419	100.0
71.04975	8.8
73.02903	0.5
81.03404	70.6
82.81816	0.5
83.04971	9.4
85.02895	17.3
85.06535	8.3
91.03938	1.0
95.04956	3.8
97.02853	6.3
98.06013	0.5
99.04439	43.1
103.84731	0.5
109.02864	0.9
113.05988	12.8
116.07127	0.6
117.05501	0.6
123.04384	4.3
127.03927	4.8
127.04765	0.7
131.07018	7.4
145.04950	2.4
149.08104	2.5
201.55029	0.5
207.06528	1.0
210.86688	0.6
225.07591	3.1
243.08609	21.6
261.09692	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	328.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03537	0.2
54.82022	0.2
55.05508	14.4
58.44037	0.2
65.03928	0.9
65.94414	0.1
73.06152	0.4
73.06541	8.5
81.07044	0.8
91.05476	0.8
93.03385	0.3
96.28176	0.2
102.39970	0.2
109.10122	0.2
111.04424	0.3
121.02837	3.3
121.03722	0.3
129.06979	1.1
131.08559	1.6
134.92464	0.2
142.20120	0.2
143.04935	0.4
147.07991	0.3
149.02330	100.0
150.02693	0.3
157.06450	0.3
161.05962	2.9
167.03435	1.8
175.07532	10.7
175.09061	0.4
185.05989	0.4
193.72504	0.2
198.91209	0.2
203.07004	7.9
221.08101	2.2
275.12744	4.1
287.07410	0.2
293.13794	15.3
326.87448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.2
59.04989	42.4
61.02905	1.8
61.29716	0.4
65.17341	0.4
69.03412	4.2
72.08106	0.8
73.02893	0.4
73.06539	100.0
78.96575	0.4
81.03410	0.8
82.26129	0.4
84.91039	0.4
85.02890	12.1
86.09704	1.9
97.02885	4.2
109.02898	0.8
116.07059	0.5
117.09100	5.5
119.04948	0.7
120.04472	0.8
120.05240	0.8
127.03923	1.0
131.10692	4.8
135.04402	1.7
138.93721	0.4
145.02887	0.8
145.04976	0.6
147.04396	5.1
148.04742	6.6
149.11710	31.4
149.17253	0.4
153.44910	0.4
163.03889	4.9
185.16524	0.6
190.08586	5.0
193.50160	0.4
236.27496	0.4
310.10159	0.7
328.15506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.05508	19.1
57.03416	14.2
57.07071	10.7
67.05499	64.7
69.07064	34.1
69.54255	7.6
71.68182	6.5
79.05473	44.5
81.07032	72.4
83.08614	10.9
88.94182	7.9
91.05458	93.9
93.07027	92.3
95.04941	100.0
95.08580	96.5
97.06518	17.7
98.97511	9.0
98.98434	15.8
105.07023	93.3
107.08595	51.7
109.10164	18.3
117.06998	30.7
119.08543	89.1
121.06503	28.9
121.10136	41.2
121.64280	7.5
123.08055	8.9
123.11700	9.6
128.06203	10.5
131.08568	43.3
133.10135	58.9
135.08060	15.6
142.07758	11.9
143.08514	17.8
145.10132	52.2
147.11687	18.3
149.13326	7.0
155.08540	10.6
157.10124	45.2
159.11700	31.5
161.09596	11.0
169.10063	9.7
171.11592	9.5
173.13242	8.9
175.14781	10.5
188.88924	7.5
190.95323	10.1
205.74818	7.7
253.48119	7.9
279.57721	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	327.2318
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.02048	4.8
55.01867	6.4
55.05502	29.9
57.03419	10.5
67.05479	30.6
67.05801	4.5
69.03395	5.5
69.07051	20.7
71.04970	18.7
79.05467	22.8
81.07042	22.5
83.08559	6.5
91.05470	32.3
93.07022	72.8
95.04958	48.8
95.08588	100.0
98.88122	4.4
105.07023	87.4
107.08583	57.4
109.06505	7.7
115.26330	4.9
117.07005	28.9
119.08562	20.9
121.06441	9.9
121.10115	10.0
123.07999	9.1
128.06294	5.1
129.07030	7.4
130.07771	22.8
131.08551	9.1
132.81927	4.6
133.10133	4.6
135.08035	39.7
135.11644	10.7
143.08592	7.0
145.10118	57.7
147.11694	7.1
149.09526	6.6
159.11688	6.1
163.11186	23.5
185.13197	5.0
187.99854	4.4
191.14294	18.1
205.15875	21.2
240.58377	4.8
327.23160	67.5
348.03671	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	328.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01854	5.2
55.05495	5.5
57.03422	13.9
59.04987	2.0
61.02681	1.0
61.02922	14.5
69.03417	47.6
71.04964	5.7
72.08141	80.0
73.02908	11.5
81.03399	18.6
81.13470	1.3
83.01349	2.0
85.02895	100.0
85.06509	2.7
87.04431	2.2
91.03936	5.0
95.04935	1.9
97.02872	33.6
99.04395	10.0
101.02367	3.0
103.03941	1.4
103.07546	5.3
105.03342	1.6
109.02875	7.8
113.02322	2.8
113.05997	2.0
115.03875	2.9
116.13037	1.5
118.08643	25.8
127.03889	47.3
129.61354	1.5
131.03358	7.0
145.04930	35.2
149.04510	1.3
149.08073	1.9
163.05946	4.9
173.04478	2.7
180.08699	1.3
257.06503	7.6
275.07568	16.6
310.11264	5.9
328.12210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01856	14.7
55.05267	4.5
55.05506	73.1
57.03432	7.3
58.16835	3.5
64.32263	3.3
67.05498	43.4
69.07051	28.7
79.05472	48.2
81.03414	7.9
81.07043	100.0
83.04966	25.1
83.08616	51.3
90.83981	3.8
91.05472	9.8
93.07013	21.9
95.04958	20.3
95.08583	28.6
97.06506	3.9
97.10167	46.7
105.07014	26.5
107.08586	22.9
109.10119	6.2
111.04433	8.2
119.08585	19.8
121.10130	7.5
123.04309	5.0
123.08042	46.6
125.09647	25.2
131.08551	5.4
133.10175	8.3
135.11653	4.5
137.09598	7.6
145.10094	5.8
147.08023	7.1
149.09679	4.7
162.81755	4.3
163.11182	17.4
165.09050	8.5
175.11151	4.1
177.40085	4.0
181.12187	5.1
189.11215	24.9
193.12265	4.9
208.47018	4.6
212.83139	3.9
273.18491	19.6
291.19501	73.7
309.20612	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
54.77466	4.9
55.05489	12.5
57.07077	6.0
65.03939	4.9
67.05493	48.5
67.79370	4.8
69.07044	11.0
71.41841	6.2
79.05462	34.5
81.07040	35.0
91.05470	66.7
93.07022	100.0
95.04958	73.8
95.08591	68.5
97.06522	10.9
102.92251	5.8
105.07008	80.4
107.08577	52.9
109.06484	12.3
109.10159	25.2
117.07014	22.1
119.08543	87.6
121.06466	12.4
121.10117	31.8
123.08027	6.7
128.06245	9.1
129.06984	7.8
130.07753	10.7
131.08572	57.3
133.10107	36.1
135.08055	9.0
135.11717	8.1
142.07768	12.4
143.08557	26.0
144.09317	6.2
145.10075	54.1
153.06989	5.9
155.08472	5.8
156.09332	10.8
157.10094	36.6
159.11659	26.5
161.09622	7.8
169.10072	11.6
169.46892	5.6
171.11699	13.6
172.12350	6.9
173.13321	12.4
175.14789	10.8
185.13293	6.7
187.14908	8.2
197.13258	7.5
209.13237	8.8
211.14760	8.7
270.11044	5.4
309.22293	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01866	7.1
55.05507	23.3
55.52858	1.6
57.03427	7.2
57.07064	10.0
58.99084	1.6
65.03922	2.4
67.05497	46.4
69.03413	2.4
69.07059	20.9
71.04989	3.5
79.05472	29.3
81.03387	7.0
81.07041	40.9
82.88309	1.6
83.04945	1.7
83.08591	3.3
85.06509	3.9
85.28047	1.7
91.05462	66.0
91.83042	2.0
92.09296	2.7
93.07025	100.0
95.04949	84.2
95.08589	72.0
97.06525	13.9
103.05441	3.3
105.04516	3.2
105.07013	84.7
107.04974	3.0
107.08580	54.4
109.06514	13.2
109.10164	21.2
115.05455	7.2
117.07018	27.8
118.07755	1.9
119.07716	2.8
119.08559	75.4
120.09363	3.1
121.06472	16.7
121.10127	31.6
123.08042	10.8
123.11714	2.5
128.06215	7.7
129.06982	15.7
130.07785	11.1
131.08540	42.3
133.10120	54.5
135.08051	8.6
135.11658	13.2
137.09554	1.8
141.06978	3.9
142.07758	22.0
143.08530	25.8
144.09346	11.2
145.10104	48.6
147.08061	3.2
147.11668	13.5
149.09604	2.2
153.06999	2.3
154.07712	2.2
155.08536	10.0
156.09351	10.1
157.10092	34.7
158.10905	10.9
159.08052	3.8
159.11664	39.7
161.09576	13.5
161.13266	3.3
165.06993	2.1
165.92755	2.1
167.08553	2.9
168.09337	2.6
168.49696	1.7
169.10110	14.5
170.10931	4.4
171.11647	17.3
173.09639	3.0
173.13219	16.4
175.14775	12.7
179.08565	3.3
181.10144	8.1
182.10902	2.7
183.11694	10.6
184.12436	3.2
185.13263	11.4
187.11151	2.6
187.14790	9.6
193.10158	2.2
195.11685	8.6
197.13271	11.1
199.14809	9.9
206.10928	1.9
207.11604	2.0
209.13216	4.2
211.14784	4.2
213.16293	2.1
217.15833	2.8
221.13292	2.4
223.14850	2.5
225.16411	2.5
235.14755	2.4
246.65265	1.7
253.19269	2.3
299.85886	1.9
309.21964	2.4
327.23102	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	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01627	1.3
55.01868	23.9
55.05505	19.3
56.18461	0.7
57.03416	2.1
57.07075	1.0
58.89988	0.7
59.04995	1.0
60.46275	0.7
61.93547	0.9
65.03893	0.8
67.05492	70.3
68.00390	0.7
69.03407	4.3
69.07053	22.2
71.04977	11.1
78.39647	0.9
79.05478	26.5
81.03366	1.8
81.07040	72.5
83.04969	12.1
83.08617	2.0
85.06531	8.8
91.05461	50.1
93.07024	25.6
95.04947	9.6
95.08578	17.4
97.06503	4.9
99.04443	3.9
105.07015	60.9
107.04928	4.1
107.07860	1.9
107.08578	50.6
109.06525	9.3
109.07141	1.2
109.10142	100.0
111.08067	3.1
113.05984	3.8
117.07020	4.5
119.08562	5.0
121.06464	1.4
121.10133	4.2
123.08031	3.4
123.11691	10.2
127.07535	3.2
129.06982	1.4
131.08545	6.5
133.10106	81.4
135.08023	3.9
135.11687	1.0
143.08546	1.2
145.10060	3.3
147.11697	1.3
149.09546	3.0
151.11171	48.8
161.09566	1.4
163.11136	1.0
167.13562	0.9
169.12201	14.8
171.11778	0.9
179.10648	1.7
188.29921	0.8
215.12683	6.4
273.18298	6.0
291.19504	13.7
309.20486	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	326.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01623	1.5
55.01871	26.7
55.05507	17.8
55.28105	0.7
57.03425	5.4
57.07071	1.2
59.04995	0.9
65.03941	1.3
67.05494	72.7
69.03422	7.4
69.07056	24.5
71.04981	17.0
77.84893	0.9
79.05476	24.0
79.22555	0.8
81.03389	1.0
81.07042	71.7
83.04974	11.5
83.08607	5.6
85.06532	10.5
91.05462	50.5
93.07030	24.8
95.04954	11.0
95.08589	11.6
97.06522	4.6
99.04430	3.5
105.07013	68.3
106.11631	0.9
107.04950	1.6
107.08578	54.2
109.06521	10.4
109.10145	100.0
111.08066	1.1
113.06017	3.5
117.07021	3.5
119.08566	7.2
121.06496	3.4
121.10110	3.9
123.08070	1.4
123.11690	11.3
127.07534	3.5
129.06966	1.1
131.08537	7.6
133.10114	96.7
135.08032	1.1
135.11691	1.7
143.08591	1.6
145.10085	1.7
147.11655	1.0
149.09633	2.0
151.11169	44.4
151.12343	1.8
159.11714	1.2
161.09586	2.0
161.13255	1.0
163.11324	1.1
169.12216	12.7
175.11195	1.1
179.10646	3.4
193.05017	1.1
208.23080	0.8
215.12752	7.8
223.13266	1.0
245.18941	2.1
263.20129	2.1
273.18439	7.3
291.19479	11.1
297.06662	0.8
302.93491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01869	5.0
55.05506	32.5
55.84535	0.4
57.03424	2.0
57.07056	1.0
59.04978	0.8
65.03905	0.5
67.05492	15.9
69.03410	6.1
69.07058	20.5
71.04989	1.7
79.05471	17.3
81.03413	4.0
81.07038	14.5
83.04968	4.0
83.08601	12.2
85.06556	0.6
91.05463	11.8
93.07022	14.1
93.09806	0.5
94.04156	0.7
95.04955	4.9
95.08593	6.6
97.02888	4.5
97.06503	1.8
97.10147	15.5
99.76852	0.4
103.50318	0.5
105.07008	9.7
107.04942	5.4
107.08579	9.0
108.05692	0.5
109.06490	2.0
109.10134	3.2
109.64147	0.5
111.04431	0.8
111.08072	0.8
117.07005	4.6
119.04893	1.9
119.08545	7.4
120.05730	0.6
120.18510	0.5
121.06490	3.2
121.10112	3.0
123.08070	2.4
125.09615	8.5
128.06213	0.7
129.06978	1.9
131.08568	5.8
133.06427	2.8
133.10089	2.4
134.07201	0.9
135.08022	3.5
135.11659	1.1
136.08423	0.5
137.09573	1.0
141.06883	0.5
143.08482	1.8
145.06450	0.5
145.10109	3.9
147.08026	4.9
147.11687	0.7
149.09547	0.8
157.10121	1.8
159.11650	0.9
161.09608	2.3
162.10391	0.8
163.11139	0.8
165.09061	0.8
167.06993	0.8
175.11116	0.8
185.13254	0.5
189.11183	2.4
205.12300	0.7
207.10025	0.9
220.13705	0.5
223.13232	9.8
235.09486	0.6
249.14857	3.7
253.10599	2.3
263.19962	0.6
273.18430	6.4
291.19485	100.0
292.19684	0.6
322.47839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.8
55.05501	61.2
57.07078	15.1
60.34530	6.8
64.10204	7.6
67.05503	100.0
68.50513	8.8
68.74213	7.3
69.03428	11.2
69.07047	55.0
79.05476	81.2
81.07039	90.0
83.04964	17.1
83.08618	16.1
85.37346	11.8
88.07607	9.0
91.05482	72.5
93.07034	96.3
95.04943	45.1
95.08582	87.4
101.94101	8.8
103.05497	10.9
105.07023	74.7
107.04964	13.9
107.08587	34.2
109.06507	13.7
109.10114	17.9
117.06999	22.0
119.08543	57.8
121.06474	10.5
121.10123	21.9
125.09563	12.8
131.08551	21.7
133.06480	15.3
133.10092	47.9
137.09613	13.6
141.06978	10.2
143.08615	10.6
145.10135	49.0
147.11655	14.9
149.09613	36.6
159.11667	37.2
163.03827	9.0
163.11192	38.3
169.10086	13.1
173.13078	9.4
179.08670	10.6
197.13321	10.5
201.01445	9.7
239.17938	10.8
275.20056	62.5
293.20908	13.2
307.22592	15.6
325.76199	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84588	1.0
53.03936	7.8
55.01861	6.6
55.05508	14.6
56.52296	1.1
57.03423	7.0
59.90528	1.1
61.02908	2.0
64.85125	1.1
69.03418	88.9
71.01351	2.3
71.04982	1.4
73.02907	5.8
78.76342	1.3
81.03405	13.7
83.04968	31.0
85.02895	52.2
87.04457	9.9
96.04495	9.6
97.02879	77.2
99.04434	11.7
100.10670	1.3
101.05994	19.6
109.02854	2.5
111.04433	100.0
113.05981	2.7
115.03915	14.1
127.03883	19.3
129.05464	22.1
135.04391	2.0
145.04898	10.1
147.06519	5.9
149.03708	1.3
149.05952	1.9
150.86710	1.4
155.03386	2.9
163.03813	1.4
177.05382	1.5
241.07094	5.4
259.07993	10.4
291.92850	1.3
332.61877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01852	15.2
55.05507	52.6
56.52411	2.6
57.03425	3.9
57.07054	4.9
61.02919	6.6
64.15793	2.8
65.03914	3.6
67.05492	84.8
69.03407	13.0
69.07052	28.2
70.06528	2.7
71.04964	12.7
73.02881	3.6
74.74408	2.9
79.05476	72.7
81.03394	7.5
81.07039	100.0
83.04956	17.0
83.08168	2.5
83.08572	22.2
85.02909	16.8
85.06536	3.2
85.13364	2.8
91.03940	12.4
91.05462	63.7
93.07018	66.3
95.04937	47.0
95.08583	54.9
97.02864	3.9
97.06509	12.7
97.10157	6.0
99.08080	4.7
105.07005	64.6
107.04939	19.2
107.08579	31.9
109.06512	15.8
109.10139	32.7
111.08082	3.4
117.07005	26.2
119.08566	45.2
121.06485	11.1
121.10120	23.8
123.08072	4.9
123.11699	7.1
125.09587	3.8
129.06987	3.9
131.08563	28.6
133.10100	45.4
135.08014	5.1
135.11700	11.9
137.09601	5.5
145.10086	30.2
147.11668	17.8
149.02321	5.8
149.09598	32.4
149.13213	4.5
153.09131	3.2
157.10088	5.9
159.11674	17.4
160.62871	3.3
161.13240	3.4
163.11125	25.5
165.12727	3.0
171.11649	4.5
173.13222	3.8
179.14200	3.5
183.11726	4.5
193.04965	20.0
229.19498	3.1
231.71664	3.2
257.18985	13.4
263.20087	5.8
275.20032	58.7
290.18356	5.8
293.21075	15.0
307.22604	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03938	7.2
55.01852	15.2
55.05507	52.6
56.52411	2.6
57.03425	3.9
57.07054	4.9
61.02919	6.6
64.15793	2.8
65.03914	3.6
67.05492	84.8
69.03407	13.0
69.07052	28.2
70.06528	2.7
71.04964	12.7
73.02881	3.6
74.74408	2.9
79.05476	72.7
81.03394	7.5
81.07039	100.0
83.04956	17.0
83.08168	2.5
83.08572	22.2
85.02909	16.8
85.06536	3.2
85.13364	2.8
91.03940	12.4
91.05462	63.7
93.07018	66.3
95.04937	47.0
95.08583	54.9
97.02864	3.9
97.06509	12.7
97.10157	6.0
99.08080	4.7
105.07005	64.6
107.04939	19.2
107.08579	31.9
109.06512	15.8
109.10139	32.7
111.08082	3.4
117.07005	26.2
119.08566	45.2
121.06485	11.1
121.10120	23.8
123.08072	4.9
123.11699	7.1
125.09587	3.8
129.06987	3.9
131.08563	28.6
133.10100	45.4
135.08014	5.1
135.11700	11.9
137.09601	5.5
145.10086	30.2
147.11668	17.8
149.02321	5.8
149.09598	32.4
149.13213	4.5
153.09131	3.2
157.10088	5.9
159.11674	17.4
160.62871	3.3
161.13240	3.4
163.11125	25.5
165.12727	3.0
171.11649	4.5
173.13222	3.8
179.14200	3.5
183.11726	4.5
193.04965	20.0
229.19498	3.1
231.71664	3.2
257.18985	13.4
263.20087	5.8
275.20032	58.7
290.18356	5.8
293.21075	15.0
307.22604	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
54.16661	1.5
55.01867	32.6
55.05507	82.0
57.03426	16.2
63.17860	1.6
64.33896	2.0
65.01098	1.7
65.03926	2.7
67.05141	3.7
67.05492	87.6
69.03413	8.1
69.07056	16.6
71.04967	4.2
79.05473	70.7
81.03416	16.8
81.07040	100.0
82.04157	1.8
83.04969	23.9
83.08608	27.2
87.19717	2.0
91.05465	70.2
93.07028	50.5
93.07610	2.2
95.04954	98.4
95.08582	31.1
97.02876	2.7
97.06528	2.6
97.10159	35.2
105.07012	30.9
107.04943	54.5
107.08591	21.8
109.06509	50.7
109.10146	48.5
115.05436	4.7
117.06982	23.3
119.04934	2.1
119.08574	31.7
121.06481	10.7
121.10121	3.3
122.07268	17.7
123.04369	2.9
125.09628	19.8
128.06192	4.7
129.06996	7.0
131.04883	2.7
131.08556	10.5
133.06454	14.0
133.10106	4.4
135.08023	11.8
135.11668	3.3
137.09599	92.7
143.08588	7.7
145.06445	8.9
145.10085	4.4
147.08049	15.8
149.09619	2.4
153.09164	2.8
159.11763	2.2
161.09569	12.1
163.11166	9.5
165.09082	3.6
167.22562	1.9
173.13214	2.6
174.93596	2.3
187.14766	3.1
189.11201	10.1
192.11282	1.9
233.15361	19.4
261.14862	3.0
290.18649	11.3
291.19763	3.0
303.50562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	22.2
55.05514	70.8
57.03432	15.4
57.07049	9.1
67.05490	84.1
69.03415	11.6
69.07065	39.6
73.44018	9.6
79.05478	88.5
81.07051	62.1
83.04977	13.5
83.08598	13.4
91.05451	91.3
92.12248	9.6
93.07027	60.5
95.04945	95.4
95.08593	48.1
97.06490	10.8
97.10125	43.0
98.97538	11.1
105.07014	100.0
107.08562	51.8
109.06535	9.7
109.10147	14.3
116.98588	24.6
117.07015	21.4
119.08556	82.1
119.88406	10.0
121.06429	11.6
121.10124	24.3
125.09627	20.0
128.06189	13.8
129.06978	13.8
131.08537	23.2
133.06448	12.6
133.10120	58.5
134.99593	10.9
135.08032	19.0
142.07739	16.0
143.08589	43.8
145.10121	50.9
155.08578	14.4
156.09344	20.8
157.10124	66.4
159.07997	21.0
159.11707	14.7
163.03870	17.8
165.06966	11.4
167.08568	15.0
169.10080	20.5
171.11717	40.0
179.08530	16.7
181.10112	15.0
182.10966	13.7
183.11684	22.6
185.13307	16.7
193.10069	20.2
194.10939	14.5
195.11711	38.2
197.13300	23.4
199.14786	11.8
206.10875	21.1
207.11646	22.2
208.12360	12.7
209.13383	14.3
221.13177	12.5
223.14766	22.3
239.14201	11.6
251.14287	13.5
273.18292	16.6
289.17920	20.1
290.18347	21.4
307.20303	15.4
325.21814	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.00288	3.3
53.03945	29.2
55.01867	20.3
55.05507	67.9
56.11718	3.3
57.03430	37.5
57.07075	4.5
67.05503	95.2
69.03432	16.8
69.07057	45.9
71.04971	5.6
79.05478	76.6
79.34903	3.6
81.02982	6.3
81.03406	70.9
81.07044	100.0
83.04977	63.5
83.08618	25.8
85.02918	4.8
85.06538	9.0
86.89555	3.6
91.05465	67.4
91.22706	3.9
93.07034	79.9
95.04944	32.1
95.08594	43.9
97.06519	68.2
97.10145	30.5
98.10523	4.8
98.97587	5.1
105.07031	54.3
107.04921	37.1
107.08591	51.6
109.06522	20.5
109.10158	48.2
111.04440	23.3
111.08067	7.1
117.06971	26.2
119.07813	3.5
119.08560	32.8
121.06490	26.0
121.10132	14.2
123.08038	31.1
123.11687	4.4
125.09611	16.3
127.30556	3.5
129.06979	5.7
131.08554	25.1
133.06517	6.9
133.10124	48.5
134.99707	4.2
135.08051	18.2
135.11722	21.1
141.07034	4.7
143.08508	4.9
145.06516	19.1
145.10130	9.2
147.08058	4.3
147.11708	3.9
149.09593	6.3
150.16499	4.6
151.11234	4.9
155.08566	5.6
157.10159	7.7
159.08080	14.6
159.11662	14.2
161.09615	6.5
163.03873	5.5
163.11281	4.5
169.10101	6.2
173.13225	4.7
177.12746	8.5
187.11108	6.6
189.11221	5.9
195.13902	5.3
201.50017	4.3
205.12068	4.9
221.11696	5.1
223.13271	4.5
233.15376	5.3
241.14322	20.9
261.18591	8.9
271.16910	14.5
279.00497	4.5
289.17877	56.8
307.18912	25.8
325.20230	7.8
330.66284	4.7
336.57367	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	325.2004
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.24456	1.1
51.28878	1.2
53.03948	3.0
55.01864	10.0
55.05506	46.4
55.86767	1.0
56.05837	7.4
57.03440	13.3
57.07375	1.1
59.04990	1.4
62.83286	1.3
65.03937	1.2
67.05490	30.3
68.05838	1.6
69.03429	3.1
69.07053	10.8
79.05052	2.8
79.05480	58.7
80.05819	3.0
81.03399	6.7
81.07040	100.0
82.07387	2.1
83.04964	6.9
83.08603	20.1
84.08960	1.9
85.02898	2.4
85.06541	2.1
91.05465	34.8
92.05818	2.7
93.07023	30.5
94.07342	2.1
94.36549	1.3
95.04961	15.5
95.08595	18.5
97.06516	12.0
97.10149	28.0
98.10507	10.5
105.07010	20.5
107.04966	6.2
107.08589	20.9
108.08955	2.4
109.06499	32.3
109.10177	6.3
110.85130	1.3
111.08085	6.0
117.07008	14.7
118.07348	3.2
119.08563	24.5
120.08900	8.9
121.06496	6.7
121.10117	13.5
123.08037	5.0
125.09604	15.1
126.09975	6.7
128.06204	2.9
129.07018	5.4
131.08571	10.4
133.06502	1.8
133.10112	9.1
135.08066	11.2
137.06003	1.4
137.09604	6.2
142.07817	1.8
143.08545	7.7
145.06430	5.3
145.10136	7.0
146.06850	2.1
147.08060	2.6
148.08339	1.7
149.09598	3.2
151.11192	1.9
155.08546	7.0
156.09328	1.6
157.10118	2.9
159.08025	3.1
159.11710	2.3
160.08319	2.3
161.09613	2.9
162.75349	1.6
163.07596	1.6
166.07773	1.5
167.10757	1.6
169.10052	1.8
170.10698	1.4
171.11665	2.3
173.09546	1.7
179.08498	1.7
181.10020	2.4
183.11676	1.8
185.09587	2.1
189.11169	13.2
190.11595	7.6
197.13361	1.4
207.11803	1.5
217.10234	1.3
251.14285	1.6
261.18518	2.3
263.16245	1.9
266.38080	1.4
271.16876	2.7
272.17111	14.1
289.17871	11.4
290.18338	16.0
325.19766	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	325.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89441	1.2
53.03933	5.3
53.14385	0.9
55.01856	5.6
55.05254	1.4
55.05502	13.5
56.94121	1.0
57.03428	9.5
59.48226	1.1
67.05492	17.1
69.03422	1.4
69.07042	7.4
71.01334	1.6
71.04981	1.4
71.13632	0.9
72.32403	1.3
73.09280	1.1
79.05478	48.9
81.03404	6.3
81.07040	100.0
83.04959	5.0
83.08600	5.2
85.02879	1.6
91.05456	13.5
93.07024	23.0
95.04932	10.3
95.08588	27.5
97.06511	2.5
97.10168	4.5
98.97513	1.6
100.09452	1.2
105.07022	12.3
107.04945	1.9
107.08605	11.2
109.05816	2.2
109.06505	35.0
109.10149	6.7
111.08056	6.2
113.57702	1.2
117.06997	1.9
119.08572	10.1
121.06523	1.5
121.10120	20.5
121.69221	1.0
123.08053	7.0
123.74612	1.0
125.09661	1.4
129.07010	2.3
131.08533	7.0
133.06461	1.4
133.10100	6.6
135.08096	1.3
136.36501	1.1
137.09639	1.4
139.11076	1.6
142.07840	1.7
143.08549	4.7
145.06474	1.6
145.10097	1.7
149.09601	4.4
156.89029	1.3
157.10089	4.8
159.08093	1.8
159.11707	2.6
163.03961	1.4
167.08566	1.6
167.10623	4.7
181.10098	1.4
186.73315	1.2
195.11604	1.4
209.13075	1.3
215.42815	1.2
261.18549	1.6
279.00305	1.6
289.17874	10.0
325.19928	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	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01862	29.8
55.05508	67.0
56.96554	8.6
57.03424	46.0
57.35319	8.1
62.33055	6.9
62.43134	6.0
67.05498	68.4
69.03392	9.2
69.07044	37.7
79.05479	78.4
81.03384	29.0
81.07032	100.0
83.01332	9.5
83.04964	49.3
83.08607	51.4
85.02911	13.0
89.34889	8.3
91.05467	67.6
93.06998	68.8
95.04945	15.4
95.08564	43.5
97.02886	8.7
97.06504	27.6
97.10146	31.5
97.22387	8.6
98.97543	29.3
105.07053	26.6
107.04930	33.6
107.08578	49.6
109.06509	37.9
109.10157	16.0
111.04451	16.1
111.08078	10.0
116.98636	13.9
117.03368	12.0
117.07026	10.3
119.08547	35.2
121.06477	46.3
121.10125	7.2
123.08038	36.6
125.09584	15.0
126.01012	12.6
129.06999	8.2
131.08553	11.0
133.10123	9.8
135.04417	17.9
135.11646	7.6
137.09596	8.7
145.02827	14.4
145.10031	13.6
147.07970	8.3
151.11105	8.2
159.08205	8.3
163.03868	90.0
163.11154	37.2
181.12164	11.6
185.85612	7.3
189.11253	13.4
191.10669	9.7
209.11758	14.2
227.12738	12.0
261.18604	8.6
275.87225	7.9
289.17920	46.7
307.18967	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.47748	0.2
53.03928	0.4
57.03419	1.3
58.18356	0.2
59.41374	0.3
65.21692	0.3
68.00266	0.3
69.03416	5.1
71.01366	0.3
71.04956	0.5
71.25082	0.3
74.66138	0.3
75.82768	0.3
79.05471	1.7
81.03403	2.2
85.02888	2.9
89.03896	10.7
97.02870	8.2
99.04434	0.6
107.04945	3.2
114.36828	0.3
117.03352	14.9
119.04893	0.3
124.27834	0.3
127.03885	0.4
135.04393	32.3
145.02827	20.4
145.03802	0.5
163.03871	100.0
181.04961	1.6
307.08084	1.5
325.09116	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01872	12.9
57.03429	14.7
57.35252	0.6
61.02910	7.6
69.03419	41.8
70.03405	0.7
71.01337	0.9
71.04961	3.8
73.02597	0.6
73.02914	9.2
76.55872	0.9
81.03409	7.5
83.01324	1.0
85.02893	100.0
91.03954	1.3
95.96448	0.8
97.02870	29.3
99.04434	9.4
101.02368	8.2
105.43082	0.7
109.02860	8.2
115.03894	3.0
119.04924	4.2
127.03895	45.9
140.72530	0.8
145.04950	21.3
147.04398	8.9
160.92503	0.8
163.05972	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01840	1.9
55.05491	3.6
57.03430	2.9
59.04990	100.0
61.02914	2.5
67.05482	3.0
69.03418	14.1
71.04954	7.4
79.05478	2.9
79.15310	1.5
81.03383	7.2
81.07034	19.6
83.04960	7.2
84.08149	1.5
85.02419	2.3
85.02886	33.9
85.06529	75.6
86.03198	2.4
89.03875	6.5
91.05466	13.0
95.04942	1.6
97.02885	12.6
98.97571	2.5
99.04424	7.5
99.08091	2.2
101.05993	54.3
103.03909	8.7
107.04887	3.2
109.02840	2.4
109.06471	13.1
111.04399	2.5
111.54494	1.5
113.02350	2.0
114.02705	1.6
115.03892	2.7
117.03368	10.7
119.04922	39.8
123.04393	2.3
123.76144	1.9
124.07602	3.2
127.03897	15.3
127.07527	46.0
128.04219	3.5
133.06508	1.6
135.04393	26.5
139.03880	2.0
145.02838	11.7
145.04968	5.9
145.08575	39.5
146.05243	2.4
147.04390	94.4
148.04744	1.5
163.03868	58.7
163.05176	2.6
163.09645	13.7
191.03351	2.8
203.05132	1.7
204.04527	1.9
258.18201	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	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
56.96562	0.4
57.03424	1.1
63.02344	0.5
69.03413	2.9
69.07037	0.3
76.56289	0.4
79.05470	2.0
81.03400	2.0
84.96002	0.3
85.02877	2.4
89.03890	10.1
91.05465	0.6
92.09279	0.6
92.64039	0.3
97.02869	4.3
98.97559	1.1
105.07024	0.4
107.04958	3.8
108.31952	0.3
109.02847	0.3
116.98571	0.6
117.03360	16.0
119.08479	0.3
130.06482	0.5
131.13043	0.3
135.04396	35.4
137.05920	1.7
143.00206	0.3
145.02834	22.2
163.03874	100.0
181.04904	0.5
187.19185	0.3
219.01671	0.4
325.09109	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	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.00285	0.3
53.03929	0.5
55.05494	0.3
56.70545	0.2
57.03423	1.0
60.20686	0.2
61.30256	0.2
63.02361	0.4
64.33598	0.2
69.03423	4.3
71.01359	0.3
71.04956	0.3
74.77911	0.2
76.56238	0.3
79.05478	1.9
79.28641	0.2
79.80650	0.2
81.03407	1.7
81.07043	0.4
85.02899	2.5
89.03373	0.4
89.03901	9.8
89.04733	0.3
91.05453	0.5
95.04948	0.9
97.02874	7.2
101.02313	0.3
107.04932	3.1
109.02873	0.4
117.03364	14.9
123.71723	0.2
124.83240	0.3
127.03895	0.3
135.04401	29.4
145.02837	19.0
163.03882	100.0
164.04228	0.4
171.22169	0.3
181.04979	1.3
186.05464	0.3
205.06398	0.4
222.06650	0.3
237.08998	0.3
249.05370	0.3
250.06099	0.3
265.08524	0.4
292.07330	0.5
307.08282	1.1
325.08926	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	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.01914	0.3
63.02334	0.4
63.96868	0.3
64.46906	0.3
66.51871	0.3
67.51669	0.3
69.03400	2.1
72.01219	0.3
79.05466	2.0
81.03396	0.6
85.02897	1.6
89.03377	0.6
89.03899	12.7
91.05486	0.4
95.04966	0.5
97.02874	1.8
107.04935	4.2
117.03355	17.0
117.62723	0.3
119.04932	0.6
127.03902	0.6
134.61551	0.5
135.04393	36.7
145.02832	19.7
145.03763	0.5
162.21463	0.4
163.03874	100.0
175.16675	0.3
187.15619	0.4
257.89371	0.4
325.08948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01858	0.4
56.92156	0.4
57.03423	0.8
59.85305	0.4
69.03406	2.3
77.28655	0.5
79.05466	2.2
81.03397	0.9
85.02890	1.1
89.03899	11.0
95.04929	0.6
97.02857	4.2
107.04950	3.8
108.36591	0.5
117.02523	0.5
117.03361	16.4
128.92424	0.5
135.04396	32.9
140.48291	0.5
143.99030	0.5
145.02840	20.4
163.03873	100.0
202.41968	0.5
325.09113	3.0
340.82529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.76248	0.2
53.00304	0.2
53.03941	0.4
54.81588	0.2
55.01857	0.2
57.03422	1.0
57.58970	0.2
61.02903	0.2
63.02352	0.2
66.59649	0.2
69.03410	3.3
69.07060	0.2
71.01329	0.3
71.04961	0.3
73.02879	0.2
73.94047	0.1
79.05462	1.6
81.03395	1.2
85.02880	1.7
89.03898	8.5
91.05454	0.3
95.04950	0.4
97.02876	4.7
99.04456	0.7
107.04931	3.5
109.02893	0.3
117.03359	13.4
127.03869	0.3
131.08615	0.2
132.26984	0.2
135.04393	31.5
145.02829	19.2
145.03758	0.5
163.03873	100.0
164.04256	0.2
178.40977	0.2
181.04909	0.4
189.07176	0.2
239.55391	0.2
296.94357	0.2
307.08032	0.4
325.09021	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	325.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38513	0.1
56.96520	0.2
57.47250	0.1
77.67940	0.1
84.60100	0.2
98.97549	2.2
101.00861	1.1
116.98597	1.4
119.01899	7.8
131.72450	0.2
134.99684	1.4
137.02959	2.1
153.00816	0.4
158.99831	0.3
177.00912	16.7
178.00972	0.3
182.99817	0.3
193.04100	0.3
195.02002	0.4
201.00896	0.9
201.24538	0.2
210.99887	0.3
216.98915	1.0
217.04054	3.2
218.03659	1.3
219.01962	31.8
220.02072	0.4
221.01875	0.3
222.97879	0.2
225.00845	1.4
234.99939	8.0
235.02295	0.4
240.98753	1.3
242.03532	0.2
243.01917	5.8
253.00966	2.6
257.54556	0.2
258.99945	12.9
260.00070	0.8
260.04572	4.6
261.03006	100.0
262.03180	1.0
263.03387	0.4
264.98874	0.9
267.99686	0.3
273.98636	0.3
277.00998	16.8
278.01074	0.8
279.00485	1.5
282.99936	19.2
284.00037	1.0
284.04648	2.3
291.99576	1.0
295.02158	0.3
301.00992	39.4
302.01099	2.3
302.05664	13.4
303.00989	0.2
319.02023	3.1
324.02502	0.3
325.01544	1.4
343.02014	7.0
344.02048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.1
57.31931	0.2
63.02387	0.2
66.07449	0.2
67.05486	0.2
68.45184	0.2
69.03430	2.9
71.04955	0.4
74.31038	0.2
77.46220	0.2
79.05471	1.8
81.03386	1.3
84.86371	0.2
85.02888	1.7
89.03898	8.9
95.04930	0.3
97.02868	5.2
99.04422	1.0
107.04931	4.2
109.02803	0.3
109.10146	1.0
117.03355	13.6
135.04395	29.2
145.02831	19.9
145.03760	0.6
163.03873	100.0
164.04193	0.4
176.06985	0.3
181.04901	0.9
191.08183	0.3
307.07971	0.4
325.09094	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	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.63629	0.2
53.80112	0.3
57.03420	2.0
59.33779	0.2
69.03423	2.9
71.01322	0.4
79.05494	2.6
81.03410	1.2
84.81369	0.4
85.02885	1.8
85.37617	0.3
89.03903	12.0
97.02881	4.8
99.04421	0.6
107.04945	3.8
117.03364	16.6
125.46082	0.3
127.03937	0.3
127.11151	0.5
135.04402	34.2
145.02838	18.9
145.03731	0.5
150.24007	0.3
159.47533	0.3
163.03882	100.0
181.04945	0.6
231.20909	0.3
307.08167	0.5
318.23166	0.3
325.09119	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	324.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01867	8.5
55.05508	91.3
56.96555	2.9
57.03436	2.3
63.11401	2.1
67.05499	20.2
69.03420	11.8
69.07063	13.0
71.31367	1.6
74.89764	1.9
75.18810	2.0
79.05483	22.5
81.07034	23.8
81.25175	1.8
83.04968	8.7
83.08611	51.9
84.06912	2.1
91.05460	12.6
92.09253	4.0
93.07036	4.0
93.55095	2.3
95.08595	3.2
97.06515	2.2
97.10152	100.0
98.39707	1.8
98.97533	2.5
105.32623	2.2
107.08578	30.0
107.33712	2.3
109.10129	3.5
115.05453	2.7
116.98602	4.5
117.07020	20.6
119.08573	16.2
125.09612	69.3
125.10522	2.4
134.99640	4.4
135.08072	4.4
145.06458	30.7
153.09058	2.7
189.11185	55.4
205.01620	2.4
271.16837	59.9
278.00845	4.0
289.17816	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.00301	0.4
55.01875	0.6
55.05500	2.4
58.81065	0.4
67.05503	4.3
69.07055	12.8
69.50966	0.4
74.79842	0.5
76.57346	0.5
78.51278	0.5
79.05478	4.8
81.07048	9.3
83.04968	5.0
86.09695	100.0
91.05468	9.8
92.09395	0.9
93.07029	11.2
95.04945	3.1
95.08592	3.1
97.06528	0.5
98.97583	1.2
100.01403	0.5
105.07019	18.0
106.08500	0.5
107.05013	0.7
107.08602	3.0
109.06521	11.2
109.10176	2.0
111.08053	3.7
116.98629	0.8
117.07034	0.6
119.08569	6.2
121.10136	0.7
123.08038	0.8
128.10710	2.7
129.06985	0.6
131.08549	5.0
132.10182	17.2
133.06476	0.7
133.10117	17.2
134.99701	0.9
147.08061	0.6
147.11661	11.6
149.09639	1.0
151.07602	3.3
151.11169	27.4
151.12340	1.0
157.10072	0.6
165.12753	1.2
175.11179	3.1
193.12222	2.8
236.52702	0.5
260.20062	3.0
278.00891	0.7
278.21115	15.0
279.00601	0.9
306.20703	3.3
324.21707	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	324.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05502	0.3
55.44215	0.2
56.96567	0.3
59.05001	0.2
63.36666	0.2
67.05481	0.3
69.07053	0.3
79.05481	3.0
91.05452	2.5
92.64979	0.2
98.97569	0.7
105.07020	3.9
106.07785	0.4
107.04925	0.3
107.08581	4.7
109.06519	0.9
114.57405	0.2
115.05405	0.4
116.98569	0.3
117.06995	0.4
120.33893	0.2
133.06487	1.3
134.07277	2.5
134.99640	0.3
135.08035	100.0
136.08389	0.2
138.43376	0.2
190.03891	0.2
278.01056	0.4
313.94110	0.2
324.23502	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	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.39323	1.9
50.48424	1.7
53.21550	1.9
53.79526	1.8
54.81515	2.2
55.05309	1.6
55.05506	27.1
56.96548	4.1
57.07058	14.8
67.05495	42.0
69.03409	2.9
69.07061	37.6
70.08081	1.9
71.04973	3.6
71.08589	5.2
71.29661	1.8
79.05476	35.2
81.07038	95.7
83.04965	3.2
83.08598	18.5
85.06482	2.3
91.05453	21.0
92.09418	4.4
93.07022	66.5
95.04957	5.1
95.08588	100.0
97.06490	4.0
97.10147	11.8
98.97578	11.2
103.05418	2.0
105.07000	36.7
107.08582	51.4
108.08602	1.9
109.10146	45.7
111.08050	2.1
111.11716	3.6
116.98611	4.9
117.97549	2.0
119.08548	31.3
121.10130	43.8
123.08038	2.9
123.11673	19.2
125.09577	2.5
131.08517	3.1
133.10110	46.4
135.11678	20.9
137.09581	9.3
137.13272	3.2
138.68785	2.0
145.10164	2.6
147.11650	27.7
149.13231	25.7
151.11182	3.4
156.55098	2.1
159.11658	4.9
161.13243	14.1
163.14761	12.9
165.12723	3.4
169.51738	2.1
175.14783	3.1
177.16344	3.7
189.16353	4.3
201.16586	2.3
220.39432	2.3
228.69646	2.1
237.27829	2.1
259.24167	26.8
269.22543	3.7
277.00696	2.4
277.25208	21.2
287.23514	5.0
291.20609	2.3
305.24670	32.7
323.25757	21.7
347.08310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.2
61.02910	2.6
63.96641	0.3
65.03967	0.3
66.31502	0.3
67.05498	4.3
69.03410	4.3
71.04958	0.5
73.02880	0.7
79.05471	1.8
81.03403	2.2
81.07037	15.5
85.02890	13.9
85.03362	0.7
85.06528	100.0
89.03922	0.4
91.03928	0.5
95.20403	0.4
97.02853	4.2
98.97538	0.4
99.04419	1.6
99.08073	6.8
101.57224	0.4
103.52715	0.4
104.16344	0.4
107.04939	0.9
109.02846	0.7
109.06508	7.8
109.10118	0.4
117.03332	0.8
120.56032	0.4
127.03896	1.7
127.07531	54.4
131.01627	3.1
135.04416	3.1
139.03870	0.4
145.02821	2.2
145.04929	1.4
145.08578	5.8
147.04411	0.6
162.05420	4.6
162.11253	0.6
163.03871	9.7
201.58565	0.4
203.03734	0.9
215.33188	0.4
261.02960	0.4
310.98618	0.5
324.10535	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	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01863	1.4
55.05502	1.1
57.03426	1.8
57.07060	0.7
59.05001	0.7
60.04307	0.6
61.02918	3.3
67.05498	5.7
69.03418	8.7
69.07056	9.5
71.04969	1.6
71.08611	1.3
73.02898	0.8
73.06534	1.2
79.05478	12.3
81.03407	5.2
81.07043	88.8
83.05000	0.8
85.02892	36.8
85.06532	59.9
89.03873	0.8
97.02890	8.2
97.06528	8.4
99.08073	17.0
109.02870	4.9
109.05809	1.6
109.06506	32.9
115.07548	20.9
117.03360	1.7
126.95588	0.7
127.03889	5.7
127.07535	100.0
131.01581	3.5
135.04402	5.3
145.02858	1.7
145.04942	3.9
145.08586	36.5
145.09729	1.4
153.38429	0.8
163.03873	13.6
321.94867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03939	2.1
55.01867	5.6
55.05508	36.5
55.38329	0.5
57.03430	0.7
57.74907	0.5
59.04982	0.6
62.06068	2.7
64.37259	0.4
65.03909	1.0
67.05495	21.3
69.03416	6.7
69.07056	22.2
71.04985	1.0
71.86977	0.5
73.06548	0.5
79.05477	23.1
81.03397	3.7
81.06598	1.0
81.07048	21.5
81.07532	0.8
83.04982	4.1
83.08616	13.7
85.06538	0.6
91.05463	13.6
92.06296	0.5
93.07028	15.4
95.04958	9.7
95.08584	9.1
97.02860	5.4
97.06499	2.3
97.10155	20.4
98.97574	1.2
105.07024	13.1
107.04948	8.0
107.08582	13.0
109.06506	2.3
109.10147	3.7
111.04424	0.7
111.08080	1.2
115.05476	0.7
116.98592	0.8
117.06996	5.8
119.04967	1.9
119.08550	9.4
121.06521	4.0
121.10120	3.2
123.08018	3.2
125.09619	13.1
128.06216	0.8
129.07001	2.3
130.07744	0.7
131.08549	6.1
133.06468	3.5
133.10132	2.4
134.99632	0.7
135.08035	3.9
137.09604	1.1
139.37796	0.7
143.08536	2.5
145.08565	0.5
145.10075	4.9
147.08041	5.6
147.11676	1.3
148.64891	0.5
149.09683	0.8
151.91086	0.5
153.09106	0.8
157.10126	0.8
159.08081	0.6
159.11647	2.4
161.09573	0.7
162.10373	2.4
163.11188	1.0
165.09082	0.5
171.11594	0.6
175.11150	2.3
184.07373	0.5
196.46104	0.6
203.12791	5.0
205.12187	0.9
221.00597	0.6
223.13246	14.1
237.14827	2.2
245.18918	0.9
249.14868	2.4
257.48499	0.5
273.18506	6.1
277.00833	1.3
291.19501	100.0
305.21075	11.7
315.12039	0.5
323.22150	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
54.82426	1.7
55.01852	8.5
55.05270	2.7
55.05508	50.4
59.04982	3.0
65.03909	2.9
67.05493	40.2
69.03422	3.6
69.07062	23.9
71.04974	11.8
73.06539	19.1
74.94078	2.0
79.05473	38.3
81.03387	3.9
81.07037	39.2
83.04981	7.5
83.08601	18.0
85.06538	3.4
91.05459	38.5
93.03351	2.4
93.07026	31.4
95.04946	12.6
95.08567	13.4
97.06533	19.8
97.10139	11.9
98.97535	3.1
102.48308	1.7
105.07011	29.2
107.04940	3.4
107.08593	20.9
109.06490	12.4
109.10136	8.0
111.04445	15.0
111.08080	7.4
113.05973	3.9
115.05432	2.4
116.98607	4.4
117.06999	11.2
119.08563	19.4
121.06461	3.4
121.10101	8.4
123.04373	3.6
123.08071	3.9
125.05166	2.5
125.05989	54.4
125.09605	4.6
128.06255	2.1
129.06953	7.4
131.08560	8.5
133.06487	3.7
133.10123	16.2
134.99648	2.8
135.08040	4.7
135.11658	4.4
137.05943	11.3
137.09624	2.9
139.07524	3.8
142.07780	2.3
143.08540	9.8
145.10115	8.7
147.08055	3.0
147.11688	3.9
147.30560	1.8
149.09647	4.0
151.11179	3.4
157.10138	2.3
159.11751	2.8
161.09538	3.6
171.11577	2.2
175.11151	2.5
179.10634	2.5
193.12160	4.0
235.13245	2.6
253.14301	100.0
258.99609	2.1
273.18356	3.1
277.00867	4.2
291.19354	3.1
305.20947	3.8
323.22119	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59731	2.8
53.03926	6.1
53.49548	3.3
54.60857	2.9
55.01864	15.4
55.05511	37.8
55.37914	3.0
57.03431	7.1
58.82183	2.9
67.05496	86.3
69.03420	8.4
69.07055	21.0
71.19781	3.6
71.62490	3.4
79.05480	60.1
81.03417	3.6
81.07044	100.0
83.04961	26.3
85.02893	4.2
85.06513	4.1
91.05471	77.6
93.07035	71.5
94.82201	3.5
95.04944	17.1
95.08594	30.1
97.06488	5.8
99.08093	4.7
103.05460	4.3
105.07025	66.4
107.04961	23.1
107.08598	54.5
109.06520	14.0
109.10146	73.3
111.08081	8.0
117.06998	8.4
119.08575	19.2
120.15526	3.8
121.06501	8.7
121.10100	7.8
123.04433	3.8
123.11680	12.7
129.07034	5.1
131.08554	23.7
133.06505	16.9
133.10109	87.7
134.99663	5.1
135.08072	6.4
135.11703	5.4
139.07617	5.8
142.07758	4.9
143.08548	6.3
145.10124	7.4
146.58096	3.6
147.08069	4.4
149.09601	15.6
151.11169	55.2
171.11690	3.9
171.19182	3.6
177.09229	3.7
183.13873	8.0
185.93764	4.4
197.64670	3.5
214.93129	4.2
245.18933	6.7
263.20078	6.2
273.18512	21.2
277.00772	5.1
291.19540	22.2
305.21030	16.0
305.24261	4.1
323.22223	8.9
334.96817	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.82354	1.3
55.01872	9.2
55.05509	44.0
55.76880	1.0
57.03428	2.0
59.05000	1.7
63.44468	1.1
67.05144	1.2
67.05500	30.8
69.03413	7.4
69.07060	29.5
71.04981	1.5
75.03960	1.2
79.05478	28.0
81.03400	2.2
81.07040	28.1
83.04965	4.9
83.08611	14.8
85.06516	1.3
91.05466	20.1
92.08571	2.2
93.07027	20.8
95.04939	12.3
95.08579	11.8
97.02892	4.9
97.10152	23.9
98.97572	5.0
105.07009	15.9
107.04929	11.5
107.08581	18.2
109.06495	2.6
109.10172	5.3
116.98618	6.8
117.07008	6.4
119.08559	14.6
121.06464	4.9
121.10152	5.7
123.08089	8.4
125.09623	16.6
129.06972	2.2
131.08569	6.3
133.06459	3.1
133.10107	4.7
134.99707	1.8
135.08037	4.8
135.11705	1.4
137.09572	1.5
145.06429	1.1
145.10072	5.9
147.08061	6.7
147.11668	2.7
149.09636	1.5
153.09045	1.4
157.10083	1.6
161.09610	2.2
163.11113	1.8
175.11203	1.7
194.94385	1.2
203.12816	6.5
223.13275	14.2
245.18837	1.8
249.14738	1.4
267.88483	1.2
270.40344	1.3
273.18521	9.8
277.00720	5.3
291.19504	100.0
299.88797	1.5
305.21094	11.6
323.22296	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
51.11269	1.0
51.84582	1.0
53.03931	3.1
54.25018	1.2
54.81697	1.4
55.01877	10.2
55.05510	32.0
57.03420	2.9
57.07073	13.5
58.07404	3.2
59.04977	2.6
59.99088	1.7
65.03936	1.9
67.05496	32.6
67.49024	1.6
69.07063	25.0
71.04974	7.2
72.39619	1.5
79.05476	42.5
81.03395	5.6
81.07042	33.9
81.07483	2.5
83.04967	12.4
83.08605	6.9
85.02917	1.9
85.06532	2.4
85.17976	1.2
91.05461	38.7
92.64346	1.4
93.07029	39.2
95.04950	12.8
95.08588	24.2
97.06496	12.6
97.10114	2.4
98.97571	8.2
105.07027	37.2
107.04950	15.4
107.08584	21.6
109.06509	15.1
109.10146	7.8
111.04439	8.9
111.08048	5.3
113.05999	3.2
115.05405	2.8
116.05273	1.3
116.98604	5.7
117.06992	16.4
119.04925	2.7
119.08578	19.7
121.06491	16.9
121.10130	9.6
122.06018	7.2
123.04430	5.6
123.06315	3.1
123.08041	10.9
125.05952	15.4
125.09593	1.7
126.06801	2.0
128.06223	2.8
129.06992	10.6
131.08563	25.9
133.06468	9.9
133.10115	19.7
135.08032	10.4
135.11665	5.6
137.05927	15.5
137.09633	7.0
139.07562	2.7
142.07773	1.9
143.08543	10.0
145.06453	1.9
145.10143	16.7
146.07294	2.2
147.08029	13.8
147.11685	5.9
149.09587	11.8
151.07533	12.1
151.11153	1.6
157.06403	1.6
157.10126	7.4
159.11693	9.1
161.09598	18.3
161.13344	2.1
162.10425	1.6
163.11136	11.7
165.09082	2.2
171.11674	6.7
173.09630	2.8
175.11171	9.2
177.12683	2.3
179.10623	1.8
181.10109	1.9
185.13208	2.4
189.12823	5.5
193.12247	1.7
199.11172	1.8
201.10497	2.4
203.14221	2.2
206.01726	1.5
207.13898	2.2
227.17944	2.1
237.16608	1.8
245.19031	6.1
247.17004	2.0
255.17404	2.1
259.20477	2.3
273.18396	19.2
277.00861	2.6
287.20038	46.0
305.21072	100.0
323.22226	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01860	20.0
55.05511	39.3
57.03416	14.8
57.07051	3.3
65.03927	3.5
67.05485	87.9
67.50068	3.5
69.07047	19.3
71.04987	2.9
79.05466	53.3
81.03349	3.6
81.07042	100.0
83.04956	21.1
83.08594	8.7
85.06518	5.2
91.05459	56.0
92.09404	6.4
93.07033	59.1
95.04940	24.1
95.08579	30.1
97.06512	8.1
98.97619	5.1
105.07011	58.3
107.04909	7.5
107.08572	58.5
107.54365	3.5
109.06513	8.6
109.10146	57.4
111.08036	8.1
117.06946	4.2
119.08554	14.7
121.06520	8.9
121.10144	7.8
123.11687	6.1
129.06969	4.5
131.08534	14.0
133.06523	12.5
133.10089	63.9
135.08043	5.1
135.11632	7.3
137.09596	4.4
140.12129	4.0
145.10065	8.0
147.08041	7.5
149.09532	6.7
151.11157	37.9
159.11830	3.5
161.09605	6.3
177.09102	5.0
183.13776	15.3
199.75882	4.3
226.31694	3.5
245.18915	5.6
271.84006	3.6
273.18433	7.9
291.19568	32.4
305.20920	7.1
323.21838	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03931	3.0
55.01864	25.7
55.05307	1.5
55.05507	22.6
57.03429	65.9
57.07065	3.5
67.05491	69.7
69.03407	2.7
69.07041	11.0
71.04964	4.5
79.05049	3.6
79.05476	59.7
81.03378	4.7
81.07042	91.3
83.04964	37.4
83.08588	11.6
85.02886	8.9
85.06531	58.7
91.05465	43.7
92.08648	3.2
93.07031	47.4
95.04947	78.8
95.08577	21.6
97.06503	10.5
97.10154	4.5
98.97562	11.2
105.07021	29.9
107.04939	13.1
107.08586	24.7
109.06511	47.3
109.10120	8.5
111.04424	36.5
111.08047	14.0
113.05988	100.0
115.05450	3.9
116.98609	9.0
117.07005	21.1
119.08568	32.1
121.06504	15.9
121.10118	12.5
123.08073	8.4
129.07010	11.8
131.08553	13.3
133.06433	2.6
133.10091	9.0
134.99626	3.4
135.08038	32.8
135.11681	12.3
137.09567	3.1
143.08522	3.3
145.10132	22.2
145.28284	2.4
147.08032	10.7
149.09550	8.2
153.12689	20.8
159.11708	4.5
161.09573	9.4
163.11183	22.2
171.11687	3.3
181.12248	12.8
187.14842	2.4
189.11272	2.5
191.10686	8.4
217.15755	3.6
227.12762	11.6
240.00732	2.3
245.18808	3.6
273.18402	26.7
277.00751	10.5
291.16403	4.0
291.19489	78.9
305.21106	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	322.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.03429	1.0
61.02930	0.6
67.05479	2.9
69.03420	2.9
69.07098	0.5
70.53528	0.5
79.05474	6.9
81.03397	1.2
81.07019	5.6
83.04973	5.1
83.08600	3.4
84.82066	0.4
85.02888	7.8
91.03936	0.5
91.05467	3.3
92.09354	1.0
97.02876	2.5
97.06558	0.6
105.07000	0.9
107.08575	72.2
109.06476	0.8
109.10097	0.5
113.59293	0.5
125.09604	100.0
127.03903	0.8
129.00060	0.5
210.64273	0.5
273.28647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44447	0.5
54.81366	0.5
55.01862	0.6
55.05496	1.3
57.03402	0.7
61.02913	0.7
67.05480	0.8
69.03407	3.6
79.05472	7.0
81.03391	0.6
81.07040	4.3
83.04970	6.8
83.08609	5.1
85.02890	7.0
91.03947	0.5
91.05435	2.7
92.31853	0.6
95.08576	1.3
97.02882	2.2
100.42033	0.6
105.07008	3.4
107.08581	76.9
109.06577	0.7
125.09608	100.0
127.03908	0.7
143.10674	0.8
145.04924	0.8
181.06703	0.6
195.33992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61971	2.6
62.67580	2.7
64.34089	2.9
70.10861	2.8
71.72472	3.1
75.94319	2.8
82.19614	3.3
84.16673	2.8
84.49114	3.6
84.74005	2.9
92.08559	7.1
148.97299	2.8
152.34155	3.0
175.70134	3.5
213.52434	3.7
224.82587	3.5
247.46664	3.4
308.00729	3.2
323.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
54.35991	0.3
57.07070	100.0
59.99102	10.0
66.62265	0.4
75.73553	0.4
78.11640	0.4
84.69797	0.4
84.98094	0.4
85.07676	2.3
86.06057	15.6
94.04194	0.6
98.97598	0.5
99.60244	0.4
102.03765	1.8
102.99686	0.7
116.05299	18.3
116.98610	0.5
122.06011	63.1
145.04317	7.2
148.97623	0.4
157.14142	0.4
201.10551	33.2
224.04970	2.1
233.81612	0.4
235.46370	0.6
258.99838	0.5
266.09698	1.0
277.00885	0.6
322.15732	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	322.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.03429	0.3
58.06582	0.3
69.03408	0.5
70.06558	1.1
70.99557	0.5
72.08142	4.9
73.01120	8.2
78.44716	0.3
85.01098	1.0
85.02894	0.4
97.02869	1.5
99.02669	0.5
101.00590	6.8
112.91293	0.3
114.09149	0.3
118.08620	2.3
124.07592	0.3
125.79212	0.3
127.02105	1.3
129.00040	100.0
151.97633	0.3
155.01575	1.0
160.09662	2.5
163.50099	0.3
173.02672	1.6
174.45428	0.3
189.39890	0.3
201.02138	24.0
236.14851	0.5
268.35312	0.3
321.11447	0.3
322.14993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33222	1.1
55.01864	2.8
65.03926	2.6
67.05515	2.1
68.99783	5.8
69.03426	6.0
69.07054	3.0
73.01125	7.0
78.91145	1.2
79.05470	2.8
80.05006	1.6
81.03413	11.5
81.07037	2.4
83.04936	1.8
85.02897	11.1
86.99029	1.5
91.05450	7.0
97.02859	6.9
97.06503	8.1
98.97569	1.7
99.04444	3.2
101.00582	7.7
109.02881	3.4
111.00767	2.1
111.04418	6.7
119.04907	6.5
120.05282	1.5
121.02859	8.0
123.04442	13.8
124.07580	2.6
125.02345	5.1
125.05981	9.6
129.00049	100.0
133.06490	1.7
137.02342	3.6
139.03897	16.5
142.06535	2.5
143.07027	14.5
144.08116	1.6
147.04404	14.7
147.05431	1.8
148.04750	4.8
148.96420	1.4
149.02348	18.7
150.03104	26.5
151.03903	2.6
153.01799	15.5
160.07567	6.4
161.05988	2.6
167.03403	11.3
173.02650	2.2
175.03925	6.1
175.07530	2.4
179.03358	18.0
189.05417	3.0
195.02895	9.7
200.48903	1.4
200.50797	1.5
201.02162	24.8
203.06995	7.8
213.05464	9.5
231.06482	16.3
241.04895	5.5
245.04424	1.5
259.05981	21.0
287.05463	27.2
287.81042	1.6
305.06461	3.5
322.12906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92804	0.1
53.03923	0.2
53.05207	0.1
62.22171	0.1
69.01972	0.1
80.05002	13.6
81.05802	0.2
82.81721	0.2
85.02905	0.3
92.70124	0.2
94.06553	0.2
101.00560	0.2
106.06520	0.3
109.60658	0.1
110.63589	0.1
115.46210	0.1
124.07576	100.0
129.00034	1.1
133.56837	0.2
147.04428	0.2
161.70546	0.1
201.02206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
53.79328	2.3
54.88218	2.4
55.01865	15.1
55.05510	39.1
57.03431	100.0
67.05504	36.4
69.07050	14.2
75.95624	2.5
79.05485	37.7
81.03403	2.4
81.07037	32.3
83.04967	61.5
85.06539	5.4
91.05460	53.2
92.08567	4.9
93.07016	37.4
95.04960	12.9
95.08586	26.8
97.06517	6.0
99.04424	5.3
103.05463	3.4
105.07021	43.7
107.04944	66.7
107.08568	15.9
109.06516	18.1
109.10135	6.5
111.04411	29.8
113.05960	4.1
115.05476	3.4
117.06994	19.2
119.08560	24.6
121.06490	14.0
121.10079	3.4
121.26497	2.4
123.08054	4.8
125.05978	3.4
129.07008	12.9
131.08566	19.9
131.51135	2.6
133.06473	6.5
133.10133	5.5
135.08057	13.5
135.11682	5.2
137.09567	4.4
141.06950	3.5
143.08571	5.6
145.06477	6.6
145.10086	16.0
145.22845	2.9
147.08070	13.2
147.11661	5.0
149.05994	5.0
149.09599	4.1
149.13229	3.2
151.07608	3.8
155.08530	4.0
157.10129	3.0
159.08055	13.5
159.11659	4.5
161.09607	6.2
163.07535	4.3
163.11130	4.9
173.09630	4.4
177.09105	4.1
177.12695	5.4
189.05380	3.3
204.52921	3.4
205.15881	6.0
215.14244	5.2
225.16631	3.1
233.15343	24.2
239.08827	4.3
243.17305	3.6
249.49118	2.7
253.15633	3.0
261.18515	11.3
271.16873	14.7
289.17856	50.1
297.77487	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	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78609	0.3
53.03931	1.1
55.01816	0.4
57.03424	0.7
58.65686	0.4
65.03914	0.5
67.05479	2.4
67.36589	0.4
69.07049	6.7
70.02948	0.6
75.28207	0.4
79.05472	7.5
81.07043	5.3
82.98110	0.4
84.08102	0.6
91.05457	10.8
93.05745	1.0
94.06534	3.2
95.04936	3.3
97.06509	9.1
104.04948	0.7
105.05762	0.5
106.06515	2.3
108.08080	2.4
109.06482	0.7
112.07581	1.0
116.04969	2.2
117.05736	4.4
118.05731	0.8
118.06515	13.2
120.08151	0.5
122.05982	5.9
123.06761	0.5
123.77615	0.5
124.07547	3.0
125.05954	14.6
133.31310	0.4
134.05980	10.1
136.07552	18.4
138.05429	0.8
138.09134	0.9
140.07039	44.2
141.07776	0.6
142.08611	18.3
146.05984	6.8
147.20186	0.6
150.05493	2.0
152.07036	23.2
162.04077	0.6
162.05461	32.5
164.07025	100.0
165.48000	0.5
166.04988	0.8
166.08597	3.8
178.04953	17.9
180.05070	0.9
180.06519	16.0
182.08084	28.7
184.11189	0.8
188.10710	0.7
190.04922	0.5
196.06053	0.9
196.09824	0.7
199.08582	1.0
211.12376	0.5
212.10744	0.8
213.10268	0.6
215.11694	0.6
224.09474	0.7
229.09682	0.8
229.13336	0.7
230.11795	1.0
231.14893	0.7
239.11719	1.1
240.10225	1.1
241.09747	0.6
242.10266	1.6
257.09207	4.3
257.12738	3.1
258.11121	0.7
259.07089	2.3
259.10638	0.8
259.14304	0.5
267.11273	2.2
275.13867	2.8
276.12238	2.0
285.12265	12.9
286.10632	0.7
288.10889	0.6
303.13330	25.6
321.14413	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	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
53.89685	0.5
57.03429	0.8
59.57915	0.5
60.26385	0.6
67.05484	0.9
68.63097	0.5
69.07056	6.4
69.88243	0.6
70.07538	0.6
74.23336	0.6
77.03918	0.6
79.05482	7.0
81.07030	5.7
91.05458	10.2
93.05762	3.2
94.06548	1.2
95.04936	3.9
96.04465	0.6
96.08084	0.9
97.06513	7.6
104.04983	0.9
106.06567	0.8
107.07330	0.9
108.08076	3.0
109.06499	0.8
112.07603	1.5
116.04975	2.9
117.05750	3.9
118.06538	10.3
120.08052	1.0
122.06042	4.5
124.07568	3.5
125.05152	0.8
125.05973	16.0
126.21237	0.8
134.06001	9.9
136.07576	19.9
138.09059	0.8
140.07053	38.5
142.08633	20.1
142.09689	0.6
146.05997	6.7
150.05424	0.7
151.06216	0.6
152.07054	20.1
162.05478	30.2
164.07043	100.0
166.08611	3.3
178.03519	1.2
178.04973	14.1
180.06508	14.4
182.08099	23.7
211.12158	0.6
212.10764	0.7
216.12520	0.6
224.09349	0.7
229.09708	1.1
229.13306	1.3
241.09639	1.2
242.10510	2.8
243.11034	0.7
257.09177	3.0
257.12851	1.3
259.07034	0.8
259.10797	1.0
267.11240	0.6
268.09579	0.8
275.13794	1.5
276.12192	2.6
285.12317	12.6
286.10703	1.0
303.13336	25.3
310.20041	0.7
321.14392	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	320.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27035	4.1
51.56523	4.4
55.05485	7.2
56.91850	6.2
56.96556	33.1
57.03423	8.3
57.07061	5.9
57.79170	5.2
60.58796	5.2
67.05480	9.9
70.61834	5.9
81.07024	11.3
83.04989	5.5
93.07060	5.9
98.97552	98.8
100.50032	5.6
107.08636	10.1
109.06448	5.2
110.97618	5.4
116.98624	100.0
123.04406	28.3
129.06982	13.3
131.04893	9.4
134.49899	5.5
134.99648	86.4
135.11678	9.0
141.06973	6.8
144.05717	6.1
147.04414	7.9
153.00778	9.2
159.08070	6.8
160.05171	12.7
161.05948	45.6
163.11099	7.5
167.52237	6.1
167.96861	6.3
173.05980	13.6
175.07533	25.8
186.06685	8.0
187.07475	20.9
189.09102	32.3
195.08105	10.7
199.07533	12.4
201.09042	42.0
212.08330	9.5
215.10516	6.3
219.10144	14.5
223.07529	10.5
223.11119	8.9
230.09412	12.8
238.09741	9.1
239.10530	7.7
241.12306	10.0
243.01704	13.5
255.08916	6.1
257.15347	22.7
259.13251	23.3
261.02780	7.4
267.13617	9.5
271.02310	27.3
279.08945	9.8
285.14890	11.2
297.10123	82.0
315.11053	31.6
326.99493	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	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82325	0.6
57.69802	0.3
58.14371	0.4
61.38419	0.3
63.68674	0.3
65.64989	0.4
69.03419	0.4
85.02891	0.7
97.02860	0.8
100.67162	0.4
104.59295	0.5
120.46684	0.4
134.99902	0.4
159.03967	0.6
173.03036	0.8
234.94540	0.4
299.05984	0.7
321.11578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05515	1.1
56.96551	2.8
57.03428	0.9
59.18359	0.7
59.79734	0.5
62.36166	0.6
67.05492	3.2
68.86457	0.6
69.07054	8.0
69.55250	0.6
75.48575	0.7
79.05473	8.8
80.04980	5.2
80.39349	0.7
81.07040	5.9
81.75757	0.6
87.75866	0.7
91.05473	10.3
93.05781	0.8
95.04961	4.4
95.08582	1.5
97.06507	9.9
98.97585	1.1
105.07018	0.9
106.06547	1.1
107.08564	1.0
108.08064	2.4
112.07578	1.3
116.04967	2.6
117.05732	4.1
118.06534	11.4
120.08087	0.9
122.05994	3.8
124.07574	16.6
125.05972	16.1
133.05243	0.8
134.05981	9.2
136.07556	16.7
137.02319	0.9
140.07047	35.1
142.08612	18.6
146.05992	6.7
150.05473	1.6
152.07048	18.1
153.01834	1.3
155.09753	0.8
162.05476	25.7
163.03984	1.3
164.07037	100.0
166.08617	4.5
178.04979	15.1
180.06538	14.6
182.08095	23.4
185.07039	0.8
192.98125	1.0
196.09834	1.1
199.08527	0.9
210.99149	0.9
212.10701	1.5
214.10901	0.8
218.99629	0.9
229.09647	0.7
229.13408	0.8
238.99673	0.7
239.11696	1.2
240.12584	0.8
241.09718	0.8
242.10323	1.2
247.01349	1.0
257.09088	4.1
257.12903	1.1
259.07095	1.5
268.09512	0.9
275.13885	2.8
276.12247	1.2
285.12250	12.3
286.10760	0.8
288.11185	1.0
303.13354	29.3
303.16867	1.1
321.14383	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	319.2266
Annotation	Naviculide
Peak:m/z	Relative Intensity
53.32221	5.9
55.01866	9.1
55.05498	41.1
57.03435	9.1
67.05481	34.1
69.07049	16.2
71.04971	32.0
71.08605	100.0
71.26710	7.6
79.05464	30.8
81.03395	10.5
81.07056	55.6
83.04961	9.6
85.10164	7.6
91.05460	74.6
93.07022	29.3
95.04994	10.2
95.08601	27.0
96.03204	7.5
99.08079	41.8
105.07022	60.0
107.08614	8.5
115.05358	7.5
117.07011	65.2
119.08557	33.5
121.10075	10.6
128.06190	15.3
129.06982	79.4
130.07690	9.3
131.08580	63.7
133.06531	11.1
133.10100	17.3
135.35661	10.1
139.11156	7.7
140.78665	7.7
141.06973	37.0
141.12711	38.8
143.08571	49.8
145.10071	74.4
154.07748	8.5
155.08531	33.9
159.11633	17.9
161.09552	10.7
169.10115	35.8
175.11108	7.5
187.11145	39.9
205.12125	13.3
239.18016	10.9
283.20520	17.7
301.21536	45.0
319.22757	13.1
324.77600	8.3
330.34058	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	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03933	0.6
55.01852	0.5
56.21595	0.3
57.03430	0.5
58.93494	0.3
61.02905	1.6
69.03410	2.9
69.07047	0.6
70.51646	0.4
70.96986	0.3
71.04993	0.4
73.02905	0.7
77.03889	0.5
80.65888	0.4
81.03389	3.2
85.02891	13.2
87.17194	0.4
88.75623	0.4
95.04943	0.8
97.02876	3.9
99.04427	0.5
105.03393	0.8
109.02282	0.6
109.02864	30.2
123.04408	100.0
127.03910	1.7
140.07047	0.4
141.05457	15.0
141.06560	0.5
145.04955	0.7
163.28275	0.4
166.27444	0.4
180.08723	0.8
305.97131	0.4
310.19919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01872	0.9
56.96568	0.8
57.03420	2.9
61.02912	7.5
61.79605	0.9
69.03419	12.0
70.06590	1.9
71.04977	0.9
73.02895	1.9
78.70048	0.8
81.03400	12.6
82.64529	0.7
83.86893	0.7
85.02892	39.1
89.77674	0.7
91.03936	1.0
97.02870	12.0
97.34419	0.7
99.04449	1.2
109.02866	100.0
123.04410	42.6
127.03922	5.0
134.41319	0.8
141.05449	54.2
145.04932	6.2
158.08087	1.5
177.48022	0.9
180.08716	1.1
303.99805	0.8
316.26456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	2-Oxo-8(17),13Z-labdadien-15-oic acid
Peak:m/z	Relative Intensity
50.10139	1.1
53.00298	2.7
53.03943	2.6
55.01860	5.7
55.05300	1.3
55.05510	19.3
57.03427	5.8
57.07066	6.6
67.05495	34.5
69.07047	7.6
70.36636	1.3
71.04977	7.7
71.08621	100.0
71.09015	3.6
79.05482	45.1
81.03400	9.7
81.06650	1.7
81.07042	24.8
83.04971	16.7
83.08610	2.9
85.06538	2.3
90.93085	1.7
91.05467	69.4
92.09315	5.6
93.07034	29.2
95.04976	10.2
95.08604	14.1
97.06503	8.3
98.36669	1.5
99.08080	48.9
103.05462	3.3
105.03342	1.6
105.07020	32.0
107.04937	5.7
107.08575	5.6
109.06491	3.1
109.10156	3.5
115.05428	7.7
117.06995	56.2
119.08569	38.1
121.06482	11.2
123.08041	6.7
127.11161	5.8
128.06210	12.6
129.07005	24.6
129.83257	1.4
131.08542	21.3
133.06528	1.4
133.10112	8.9
135.08037	8.0
137.09622	3.1
141.06989	14.7
141.12708	3.6
142.07765	2.4
143.08551	23.3
145.06514	2.4
145.10115	15.0
147.08073	5.8
151.11186	41.9
153.12750	3.0
154.07687	2.4
155.05917	1.4
155.08533	6.5
157.10132	7.9
159.11650	3.0
161.09615	8.9
167.08603	3.4
169.10104	24.0
175.11211	1.8
179.14317	2.7
181.10110	2.0
185.13225	14.4
187.11137	15.9
189.12708	1.6
192.25955	1.4
193.94624	1.6
199.11172	1.6
199.14742	2.3
203.14328	6.3
205.12274	5.6
213.12718	1.8
217.15804	11.0
231.93071	1.4
235.16910	2.3
255.21022	1.9
258.16599	1.6
262.14395	5.9
263.14755	12.7
283.20544	2.9
301.21625	2.9
305.39468	1.6
319.30356	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	319.042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45661	0.9
61.00321	0.9
67.11796	1.2
70.01353	0.9
72.48027	0.9
80.77400	1.0
89.12462	0.9
91.05448	14.5
111.88657	0.9
111.89634	1.1
119.04916	47.5
128.07001	1.3
138.05460	6.3
139.05855	1.1
140.31325	1.1
147.04390	100.0
169.02567	60.3
171.85818	1.1
173.00529	19.0
209.92134	1.4
245.06200	4.0
319.04102	13.8
319.09964	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	319.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94227	1.3
98.26333	1.4
118.12440	1.6
129.50487	1.3
134.99333	1.3
143.43132	1.3
157.04660	2.7
185.04228	1.8
245.06401	6.6
273.09354	2.3
296.19257	1.5
300.71490	1.6
303.02039	1.5
319.10016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46997	0.8
55.27289	0.7
56.04796	0.8
56.05028	12.5
57.05814	1.3
60.05621	1.5
61.71883	0.7
63.18348	0.8
66.07281	0.7
69.04531	1.6
70.06564	3.7
71.12667	0.6
83.06089	5.7
93.01691	0.8
95.06046	3.3
97.04029	0.8
97.07653	0.8
105.03373	0.9
106.06535	2.8
111.05562	11.3
112.08702	1.6
113.07098	6.4
118.48774	0.9
120.04416	5.1
123.05520	1.6
126.06602	6.4
127.07396	1.7
132.03500	1.5
132.04428	24.9
132.08031	1.6
134.05981	6.6
137.04662	1.0
140.08157	3.9
148.03896	3.3
150.05478	11.0
151.04977	1.0
151.06134	13.1
174.05406	1.3
176.07007	1.5
187.08691	8.5
189.06575	1.3
202.09721	6.7
203.08238	7.0
222.27477	0.9
230.09175	6.7
231.07607	49.4
232.10765	1.8
233.09213	1.0
233.13939	8.3
238.65602	0.9
242.09221	1.9
246.08667	1.9
257.10269	7.6
259.11859	34.7
260.10245	3.1
277.12909	100.0
278.13379	1.3
284.11383	5.2
302.12433	58.1
319.15073	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45374	0.7
51.45604	0.7
53.03937	0.8
55.01860	1.6
55.05486	0.8
56.96567	0.7
57.03431	5.5
59.66113	0.6
61.02906	4.7
65.03928	0.9
65.37346	0.6
67.05491	25.3
67.37785	0.7
69.03413	18.6
69.07055	35.0
71.04977	0.8
71.07497	0.6
73.02885	1.6
79.05451	0.7
81.03411	7.4
83.01353	0.6
85.02887	43.4
85.69501	0.7
91.05473	1.1
92.08659	1.3
93.07056	5.1
94.06542	1.6
95.04945	53.2
95.08595	1.4
97.02872	33.1
97.06509	1.6
99.04410	3.4
101.00865	3.3
102.22673	0.7
103.03904	3.9
109.02861	8.3
111.08051	3.7
112.07587	46.3
113.05983	4.8
119.01908	11.9
119.04869	0.8
122.06014	1.1
122.09719	0.8
123.04427	1.0
124.07561	1.7
127.03891	7.2
131.01871	5.3
136.07562	3.3
137.02966	3.3
139.07538	2.8
140.07040	100.0
143.01874	4.0
144.54602	0.8
144.73787	0.7
145.04950	4.1
147.04440	1.2
149.02928	1.0
150.74640	0.8
154.08595	6.8
155.01910	1.6
157.03488	0.8
157.08582	3.2
158.08063	0.6
161.02917	16.8
169.02646	0.7
173.02948	5.0
178.08614	4.0
179.03986	0.9
182.08090	45.5
185.02850	1.0
186.21692	0.7
191.03944	0.9
203.03995	1.1
206.08096	11.0
218.08067	1.7
229.09126	0.8
236.09192	0.9
248.09161	4.8
266.10046	1.1
302.08871	0.9
302.12280	21.5
307.02594	0.8
319.07733	4.6
319.12357	7.5
331.63730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
50.42108	0.6
52.54992	0.6
56.05030	18.2
57.07068	16.8
58.06591	11.4
60.04507	6.3
69.07023	0.8
69.39221	0.6
71.08620	8.3
74.05696	1.1
74.06062	16.1
85.10159	3.5
86.06052	1.4
88.07614	82.1
118.08633	12.7
122.08130	5.4
238.25212	0.9
256.26199	1.8
270.27878	63.0
300.28949	3.3
318.29977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06813	0.7
57.07069	12.8
57.42124	0.4
59.22380	0.4
60.49221	0.4
63.06736	0.4
64.33553	0.5
66.62313	0.4
70.06582	23.7
71.08617	5.7
81.71985	0.5
84.08135	0.9
85.10162	1.8
88.07615	22.7
92.09364	0.8
92.64747	0.5
97.38273	0.5
102.09145	0.9
106.08648	3.1
114.09140	7.2
118.08624	2.0
132.10185	26.8
150.11243	22.2
242.24731	1.1
256.26309	1.1
263.72220	0.5
269.09402	0.5
274.27328	7.6
318.29980	100.0
319.30231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
51.58865	0.5
56.95326	0.6
57.07063	16.0
58.06585	3.1
59.18138	0.6
64.23602	0.6
65.51358	0.6
70.06580	27.4
71.08619	4.8
76.07570	0.6
85.10162	1.3
88.07613	43.4
90.62807	0.7
94.76669	0.6
102.09153	21.4
103.43803	0.7
125.69945	0.7
132.10229	1.1
146.11633	1.1
150.11255	0.8
212.23656	0.9
242.17784	0.7
256.26294	73.7
257.26825	0.9
273.02588	0.7
300.28943	4.5
318.29962	100.0
319.30444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
54.00823	0.4
55.01867	0.8
55.05508	0.7
56.05025	0.5
57.03423	2.8
61.02913	4.5
67.05454	0.4
69.03413	10.3
69.07047	1.1
69.35283	0.5
70.65133	0.5
71.04959	0.5
72.08114	0.5
72.91518	0.4
73.02901	2.0
79.05485	1.0
81.03393	5.0
82.06564	0.7
83.08542	0.5
85.02890	22.3
87.04458	1.1
88.77979	0.4
88.84731	0.4
91.03935	0.9
91.05466	0.5
93.07042	3.7
95.08587	3.9
96.04473	3.9
96.08110	4.2
97.02864	9.3
97.05256	3.6
97.06498	2.8
98.26044	0.4
99.04448	1.1
100.07597	2.7
103.05447	3.4
106.99892	0.5
109.02861	2.8
109.06496	0.8
110.06026	10.6
110.09641	6.4
111.08077	1.1
121.06474	7.8
125.07097	0.8
125.08353	0.9
126.09127	14.8
127.03870	4.3
129.86899	0.5
132.04388	0.5
137.06007	0.5
138.09116	35.5
139.07545	3.1
145.04938	4.6
156.10178	100.0
163.06052	0.5
168.10204	1.9
180.10152	1.0
252.39594	0.5
265.10522	0.6
277.13113	1.0
301.88303	0.5
302.12369	0.7
318.15356	3.8
319.15060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1698
Annotation	Erysotine
Peak:m/z	Relative Intensity
50.82168	0.2
54.03446	0.3
55.05483	0.5
55.54619	0.3
55.73996	0.3
67.05486	2.9
67.32742	0.3
69.07028	0.3
79.05479	2.5
79.19125	0.3
80.94550	0.2
81.03371	0.7
81.07023	1.2
91.05461	2.0
92.08643	0.9
94.06532	2.3
95.04946	0.5
95.08606	0.4
96.08088	1.4
105.03365	0.7
105.07001	1.7
106.06533	0.6
107.04922	2.0
107.08562	0.5
109.06491	1.1
109.79155	0.3
111.08041	0.5
115.05415	3.6
117.06998	24.4
119.08533	1.4
122.05991	1.8
124.96295	0.3
128.06189	3.2
129.06935	2.5
130.42184	0.3
131.08531	2.7
133.06471	1.2
134.05956	0.7
140.07045	5.7
141.06961	0.5
142.06427	0.3
143.08540	12.7
144.08041	0.4
145.06471	8.0
147.08052	0.4
155.08525	5.7
155.57709	0.3
158.09645	3.2
159.07983	2.4
160.07555	1.5
165.06944	1.8
167.08545	1.2
169.10069	1.8
170.09604	1.7
171.04301	0.4
171.08017	18.2
173.05948	5.7
180.08005	1.1
180.09348	2.7
181.10051	0.7
182.10878	0.5
183.11659	0.4
184.11270	0.5
186.09122	2.8
192.09340	0.7
195.11646	3.2
196.11208	0.4
197.13351	2.6
198.09082	1.3
205.10146	1.4
207.10391	1.4
212.14273	3.6
214.08597	100.0
220.07413	0.4
222.12764	2.2
223.11124	1.8
226.08641	4.0
235.09895	3.3
240.13754	4.5
248.10472	0.4
250.12222	3.2
251.10693	0.5
253.11073	0.4
268.13269	47.9
300.15891	69.8
318.16980	1.4
340.35236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01863	0.7
57.03418	1.4
61.02921	3.5
65.03909	0.4
67.05467	0.4
69.03431	4.3
71.04987	0.3
73.02905	0.5
81.03391	2.6
85.02894	17.5
87.04426	0.6
91.03933	0.5
91.05423	0.3
95.04951	55.2
97.02872	4.5
98.97555	0.3
99.04438	0.8
105.04477	0.7
109.02857	0.7
111.04459	0.5
119.04935	0.5
121.02853	28.0
124.07539	0.6
127.03863	2.5
138.05475	1.5
139.03891	100.0
145.04926	2.0
147.04384	0.6
150.88197	0.3
163.05954	0.4
228.20039	0.3
283.07993	0.5
316.17136	0.3
318.12271	0.8
319.13748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01864	1.0
57.03420	1.1
61.02915	3.7
68.03480	0.4
69.03414	7.7
69.92273	0.5
71.02769	0.4
71.04951	0.8
73.02911	0.7
77.29479	0.4
81.03398	3.3
85.02892	26.7
87.04455	0.6
91.03938	0.7
91.05460	1.1
93.07029	0.6
95.04951	56.7
97.02876	6.5
99.04437	1.0
105.04517	0.6
107.04916	0.7
108.54653	0.5
109.02892	2.0
110.81834	0.5
111.04419	0.7
116.98581	0.9
119.04929	1.1
121.02849	27.2
121.06488	13.1
124.07622	0.6
127.03894	2.9
138.05476	4.1
139.03886	100.0
145.04942	3.8
147.04408	2.7
156.66846	0.5
166.30121	0.5
169.02606	0.9
180.08578	0.6
283.08102	0.6
319.13657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.73157	10.0
55.01849	12.3
55.05512	17.6
56.33530	10.0
60.04508	9.7
65.68984	9.2
67.05485	68.0
69.07044	45.6
71.05002	9.8
75.30900	10.6
79.05479	96.1
81.07022	88.9
83.04961	12.5
91.05454	85.9
93.07018	64.3
95.04918	12.7
95.08564	22.2
95.54108	11.9
97.06514	16.5
101.68913	11.2
105.07031	100.0
106.97028	10.4
107.04899	10.1
107.08576	23.2
109.06580	13.4
117.07018	55.2
119.08569	48.6
129.06976	43.4
131.08543	57.2
133.10112	17.1
134.58488	11.0
142.28778	10.4
143.08583	17.1
145.10118	19.0
155.08545	16.2
169.10126	21.2
171.11780	13.6
189.47250	14.4
194.66266	12.5
251.46202	10.9
265.55896	10.5
269.22717	13.1
317.20883	20.7
321.85397	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	317.211
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
55.01864	35.7
55.05503	90.3
58.23155	4.4
62.39248	4.4
64.33453	5.3
67.05490	59.2
69.07051	89.2
71.04982	23.2
79.05474	91.5
81.07040	37.7
83.04978	13.8
83.08611	55.4
85.02894	12.8
85.06528	7.5
91.05469	100.0
92.09041	26.9
93.07008	80.6
95.04935	47.8
95.08570	40.2
99.04438	13.8
105.07010	71.2
107.04938	50.4
107.08591	69.4
109.06529	7.4
111.04462	23.4
115.05500	6.8
117.06999	53.6
119.08574	25.7
121.06502	12.3
121.10132	28.3
123.08048	5.8
128.06219	5.7
129.06987	54.4
131.08565	70.9
133.06442	24.2
133.10092	7.2
135.08038	32.6
139.11162	8.2
141.06973	32.4
143.08583	33.1
145.06433	13.2
145.10115	25.4
148.39130	5.9
149.09636	32.0
151.11162	10.0
155.08527	9.3
159.11583	8.6
163.11206	9.6
169.10109	12.3
171.08180	5.9
171.11633	40.0
173.09554	13.8
177.12703	5.9
187.11211	9.8
189.12816	12.8
197.09581	7.6
197.13123	8.3
215.14299	8.8
225.41513	6.4
281.19016	8.3
299.20117	27.3
317.21140	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
54.57040	3.8
55.01626	4.6
55.01868	82.3
55.05506	34.0
57.07065	6.3
64.76659	3.4
67.05501	39.4
69.07055	89.9
71.04982	6.8
77.71761	3.5
79.05469	45.9
81.07036	73.7
83.04964	19.0
83.08604	7.7
84.84504	3.6
85.06527	5.6
87.30966	4.4
91.05460	100.0
93.07042	33.8
95.04951	4.6
95.08585	9.1
97.06508	49.1
98.97557	4.1
105.07013	63.1
107.04958	15.6
107.08562	7.7
109.06509	18.7
109.10178	5.9
112.99036	3.3
115.05437	5.4
117.06990	65.7
119.08578	35.3
121.10110	7.8
123.08005	4.2
125.09607	4.3
129.06989	27.2
131.08528	24.3
131.18752	3.9
133.06480	4.5
133.10114	7.9
137.05945	8.9
139.11176	9.0
141.06967	16.2
143.08549	24.0
145.06490	4.5
145.10100	29.3
147.08090	7.7
147.11638	15.5
155.08542	15.6
157.10124	15.4
159.11752	7.2
161.13188	3.9
165.84875	4.4
169.10127	18.2
171.11658	7.5
175.11157	3.9
183.11676	7.7
185.13274	9.0
281.18982	4.5
299.19986	18.3
317.17651	4.5
317.20908	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.74426	2.1
55.01860	4.1
55.05506	26.5
57.07060	9.1
59.04982	2.6
59.79383	1.9
59.85349	2.0
67.05142	3.2
67.05494	76.9
69.03410	9.4
69.07033	8.6
70.06516	2.0
74.16597	2.1
79.05470	12.5
81.07034	43.0
88.07570	2.9
91.05450	28.2
93.07024	22.9
94.42956	2.8
95.04943	31.9
95.08570	29.6
96.23058	2.6
96.27103	2.3
97.06487	4.7
105.07020	29.6
107.08567	52.1
109.06503	23.9
109.10141	100.0
117.07003	4.7
119.08554	66.1
121.06514	4.7
121.10138	4.6
122.07250	2.7
123.08044	36.0
130.07715	2.3
131.08527	4.5
133.06476	9.8
133.10101	9.1
135.08044	12.3
137.09593	52.3
143.08607	3.5
144.75136	2.8
145.10114	15.5
147.08055	5.5
147.11713	3.9
149.09593	5.3
151.07536	57.1
156.09297	4.6
157.10083	3.1
159.11630	3.1
161.09572	3.5
163.11128	5.4
165.09099	4.0
167.06950	2.8
173.09685	2.7
177.09091	3.1
181.08629	3.3
183.11639	3.3
189.11078	2.3
189.12688	18.8
207.13669	18.8
243.07002	2.4
243.13724	4.1
245.82710	2.7
254.18959	2.5
256.26318	14.4
265.57947	2.4
282.53027	2.3
299.19989	9.7
317.21045	94.3
318.29950	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	317.2109
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
52.34282	2.9
53.68884	2.8
55.01875	4.9
55.05509	27.9
55.35212	2.9
57.07056	12.1
59.04984	4.6
65.03937	3.7
67.05189	4.8
67.05497	77.6
69.03416	14.7
69.07053	8.2
70.06580	3.8
71.04994	4.5
71.08591	4.4
79.05471	27.5
81.07033	54.4
83.04967	6.8
83.08596	15.1
85.06544	4.2
88.07611	5.1
91.05457	34.8
92.08627	9.6
93.07025	40.9
93.39541	4.1
95.04950	43.6
95.08595	33.7
97.06500	14.0
98.97561	5.2
105.07017	57.6
107.04957	4.6
107.08580	62.7
109.06512	33.2
109.10141	100.0
114.55450	3.8
116.98606	7.8
117.06992	16.7
119.08568	54.9
121.06509	15.9
121.10155	8.1
122.07320	4.2
123.08029	32.6
131.08577	14.7
133.10129	20.4
135.08043	15.5
137.09619	41.1
138.77733	3.7
141.06908	3.5
142.07811	5.9
143.08542	18.1
145.10118	23.1
147.07979	3.8
147.11684	6.5
149.09593	7.9
151.07536	67.2
157.10097	13.3
159.08101	4.6
159.11725	8.6
161.09608	7.0
163.07567	3.7
163.11118	4.3
171.11662	14.3
173.09668	5.9
173.13217	6.8
187.44179	4.4
189.12648	27.5
197.13287	4.3
199.11165	5.7
207.13744	18.4
208.73325	3.6
215.14383	3.6
245.16078	4.8
256.26367	15.1
299.19992	7.1
317.21017	66.1
318.29947	24.1
334.67984	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	317.2111
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
55.05499	10.7
57.07063	19.3
58.06585	2.0
60.09172	2.0
67.05492	26.7
69.03413	4.0
69.07043	3.8
70.06585	36.2
71.08619	5.0
76.57151	2.6
79.05465	12.6
81.07032	16.3
83.08593	3.2
88.07613	35.6
91.05461	11.9
93.07040	13.0
95.04953	16.5
95.08584	11.8
97.06518	4.6
98.97565	10.0
102.09195	22.5
105.07001	14.0
107.08560	20.1
109.06510	14.0
109.10145	34.2
115.76380	2.3
117.06978	2.8
119.08541	21.2
121.10133	4.7
123.08033	16.1
125.09566	3.5
131.08545	3.8
135.08026	3.0
137.09598	17.9
143.08513	4.6
145.10066	9.0
147.11687	3.1
151.07521	23.1
152.89931	2.4
156.09399	2.8
159.11624	2.5
161.09547	2.8
171.11676	4.1
189.12746	5.2
195.72079	2.3
207.13763	3.0
256.26279	73.9
281.18777	4.0
317.21075	23.9
317.28046	4.3
318.29950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	20.7
55.05505	40.6
55.81894	2.2
56.96112	2.5
57.07072	3.2
64.61327	2.4
67.05498	52.9
69.07051	15.4
71.04969	4.0
79.05052	4.0
79.05482	63.6
80.42241	2.9
81.03411	2.7
81.07045	44.8
83.04964	22.5
83.08598	17.2
91.05462	100.0
93.07029	74.6
95.04945	16.7
95.08600	28.1
97.06501	12.4
103.05426	11.6
105.07021	70.9
107.04942	12.7
107.08584	32.8
109.06527	5.6
109.10142	6.4
111.08099	4.7
113.22213	2.7
115.05458	5.7
116.06211	3.3
117.06998	43.4
119.08553	38.5
121.06503	10.6
121.10108	16.5
123.08057	6.3
128.06145	11.0
129.06978	47.9
131.07655	3.4
131.08557	79.6
133.06462	4.9
133.10103	26.6
135.08051	16.1
137.09602	6.0
139.11147	3.4
141.06984	24.7
142.07816	4.6
143.08577	30.7
145.06497	4.6
145.10106	32.4
147.08035	14.3
147.11636	4.6
149.09576	5.5
151.11174	2.6
153.07011	3.5
154.07777	3.2
155.08556	23.8
157.10117	25.7
159.08006	4.2
159.11662	13.3
159.20224	2.8
161.09616	4.4
161.13164	4.4
163.11105	3.4
167.08527	3.3
169.10086	25.5
171.11671	19.5
173.09554	15.1
173.13261	11.2
175.11101	5.4
178.07582	2.6
181.10141	4.3
183.11734	14.5
185.13246	2.8
187.11104	5.2
189.12697	6.0
191.10699	6.1
193.10233	4.5
193.11977	2.8
195.11696	4.1
197.13211	12.7
201.12708	5.8
203.14343	3.2
207.11720	4.1
211.14651	3.5
215.14293	11.8
221.13229	3.8
227.14130	3.0
237.16391	2.7
239.14029	2.7
242.56630	3.2
253.19585	6.1
263.17914	4.2
281.18930	22.6
288.34351	3.1
299.20065	23.5
317.21036	14.8
317.24698	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03935	6.2
55.01868	23.0
55.05508	23.6
57.03433	2.2
57.07086	1.9
62.52903	1.6
66.11100	1.4
67.05498	60.5
69.07057	21.5
71.04971	4.1
79.05479	100.0
81.03419	2.6
81.06596	2.8
81.07040	55.5
83.04960	8.7
83.08601	3.0
85.06511	2.0
91.05470	84.4
93.07034	86.5
95.04958	27.5
95.08588	35.3
97.06506	10.3
103.05451	3.4
105.07018	83.3
107.04964	17.5
107.08585	42.9
109.06512	11.5
109.10120	7.4
111.08090	2.1
114.30144	1.8
115.05443	9.9
116.06200	2.6
117.07011	44.2
119.08573	41.4
121.06483	24.1
121.10152	23.4
123.08057	6.3
128.06171	7.7
129.07002	36.7
130.07747	2.5
131.08549	57.0
133.06470	15.2
133.10129	25.3
135.08049	4.1
135.11655	1.7
141.06947	18.2
142.07803	3.3
143.08554	32.5
145.06482	13.2
145.10106	30.9
147.08060	13.8
147.11707	12.4
149.09631	18.8
151.11143	2.7
153.06978	2.6
154.07764	3.6
155.08556	22.2
156.09344	3.9
157.06407	2.2
157.10106	12.1
158.07230	2.1
159.08028	15.8
159.11624	13.0
161.09657	8.6
161.13260	3.9
163.11125	2.2
165.07024	2.5
167.08578	3.8
169.10100	18.7
171.08005	2.1
171.11653	23.8
173.09607	10.3
173.13220	7.6
175.11200	3.1
175.14771	2.6
181.10060	3.6
183.11722	12.3
185.13177	4.0
187.11156	7.1
187.14847	15.0
189.12770	8.1
193.10117	2.6
197.13213	11.3
199.11125	1.8
199.14874	2.2
201.12723	7.3
203.14355	3.6
207.11612	1.7
211.11076	1.9
211.14720	2.0
215.14328	22.0
225.12778	1.8
227.46107	1.6
253.19522	6.4
260.62967	1.8
271.20544	2.9
281.18936	9.3
299.20123	18.2
317.21045	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	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83035	2.8
54.81514	2.9
54.81793	3.8
55.05510	5.0
57.03407	2.9
57.08803	3.1
57.56839	3.1
67.05499	7.4
69.03413	14.6
69.07061	7.2
72.66913	3.1
79.05487	15.7
81.07048	17.2
91.05477	29.7
93.07034	33.1
95.04956	100.0
95.08617	7.5
96.34084	3.1
96.93261	3.3
97.06567	4.2
98.97545	6.0
105.07018	27.5
107.05021	3.6
107.08600	15.7
110.40624	3.6
112.36976	3.2
116.06247	5.1
116.98667	5.1
117.07058	5.2
119.08572	21.5
121.06496	14.8
121.10123	38.7
128.06213	4.6
129.06970	4.2
130.64131	3.7
131.08554	24.7
133.10152	4.1
138.76509	3.2
143.08516	12.1
147.11777	4.2
149.09622	14.1
157.10165	6.3
159.08067	29.6
167.10680	34.1
187.44264	3.9
244.81259	4.0
276.95636	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	317.0866
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.03936	0.6
54.81425	0.4
56.34719	0.4
57.03431	0.7
58.88904	0.5
61.02912	2.1
65.03929	25.8
69.03411	5.4
69.84096	0.4
71.04987	1.5
81.03405	6.6
82.15362	0.4
83.23563	0.4
85.02425	0.9
85.02899	15.3
92.63803	0.5
93.03387	32.4
93.47237	0.5
97.02861	4.5
109.02870	7.0
111.04432	100.0
113.03456	0.5
127.03905	2.7
137.02328	37.7
137.03355	2.2
145.04988	0.9
149.77789	0.5
155.03375	84.0
248.19881	0.5
251.81886	0.6
317.12021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
54.81694	0.1
65.03896	0.1
66.04690	0.1
79.05479	1.1
81.07033	0.6
84.54304	0.1
91.05448	0.3
92.08726	0.1
94.04167	2.6
107.04978	0.2
108.23836	0.1
109.06475	0.3
121.06490	0.2
122.03623	8.7
129.47409	0.1
136.08391	0.1
137.05959	100.0
138.06232	0.1
176.29039	0.1
246.20802	0.1
272.20197	0.1
317.10138	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	317.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91702	0.5
54.15612	0.6
63.98729	0.6
66.44987	0.6
69.59034	0.6
71.37422	0.6
72.08147	1.6
73.54810	0.7
81.03386	0.8
92.08680	0.9
98.97562	1.1
107.04897	1.2
109.06499	4.1
116.98606	1.0
119.01877	0.9
134.99588	0.7
137.05949	3.7
155.06979	4.2
163.03766	1.5
164.04170	0.8
173.06544	1.6
186.12335	1.2
191.07620	3.9
215.07669	3.3
231.72084	0.6
315.57968	0.8
317.12018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53736	2.0
55.01862	17.1
69.03406	10.7
81.03412	9.3
83.04993	2.8
85.02898	15.6
86.09694	2.7
95.04951	3.2
97.02894	2.9
98.97548	3.6
107.04925	9.5
109.02863	54.9
116.98618	3.1
117.70747	2.3
119.04922	15.1
127.03020	2.5
127.03914	15.3
137.02335	16.7
139.03802	2.9
147.04404	15.5
154.90390	2.4
155.03387	66.6
155.04585	3.7
155.06783	50.0
179.06995	10.4
185.04205	37.8
216.45645	2.8
250.03969	2.7
255.04079	2.9
288.06317	2.5
306.67819	2.6
317.12039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01847	3.6
55.09877	0.9
57.03422	7.9
60.96637	0.9
61.02918	13.4
69.03075	1.4
69.03421	25.9
71.04945	3.3
72.08118	1.9
73.02895	6.5
81.03400	10.8
83.01285	1.4
85.02890	100.0
86.09694	13.7
87.04447	4.0
91.03894	3.1
91.05454	26.1
91.67908	0.9
92.08653	2.0
97.02870	25.7
99.04430	5.5
109.02865	10.9
116.20441	1.0
121.43629	1.0
127.03893	16.5
129.11079	1.0
130.73961	1.0
137.05983	1.9
145.04941	17.5
154.08612	4.3
155.33784	0.9
158.67375	0.9
163.05988	2.3
180.08684	6.6
181.01440	0.9
188.77866	1.1
241.73987	1.5
257.31689	1.0
319.66730	1.0
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	Unknow
Peak:m/z	Relative Intensity
55.05508	42.6
55.23159	3.7
55.98740	3.4
57.07068	68.2
60.04489	4.1
62.12091	3.0
63.08582	3.3
67.05492	49.5
69.07055	57.4
70.06568	17.7
71.08616	43.2
79.05452	15.6
81.07037	67.4
83.04925	5.6
83.08623	31.0
85.10167	9.7
87.04459	100.0
88.07616	25.5
91.05459	19.2
93.07027	17.3
95.08588	74.6
97.06544	4.5
97.10146	24.1
97.51181	3.8
98.97580	14.5
102.09118	6.5
105.06997	21.3
107.08586	15.4
107.80962	3.9
109.10136	33.4
111.11681	7.7
114.37063	4.2
116.98618	17.3
119.08545	13.9
121.10158	7.2
123.08035	4.2
133.10066	17.0
134.99612	17.0
141.12695	6.6
160.66042	3.9
187.11028	5.0
245.22681	8.2
256.26196	26.8
263.23685	8.4
274.97336	4.5
281.24881	5.9
298.27335	8.8
299.25751	15.9
316.28403	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.34003	2.5
55.01893	2.5
55.05517	3.8
56.96567	5.7
57.07070	2.8
63.15061	2.4
79.05461	5.7
81.07038	11.0
86.09695	3.4
86.39063	2.6
91.05472	4.8
92.64360	3.2
93.07048	3.5
94.06697	2.9
98.97569	16.1
105.07016	5.4
116.98617	13.6
129.06966	3.9
134.03566	4.8
134.99695	12.4
138.03076	3.3
143.08673	3.4
147.08009	2.9
159.08044	2.7
166.02612	3.1
167.03368	30.1
184.03702	6.4
219.17448	3.7
227.06976	5.0
240.04129	11.6
243.06500	11.8
255.06441	18.4
257.04410	6.1
259.09705	3.8
268.93839	4.3
271.06128	5.4
283.05890	14.8
299.05316	22.4
300.06244	37.2
301.70212	2.9
304.03101	3.6
315.08548	100.0
315.19739	3.3
333.08472	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	314.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01704	0.4
55.01823	0.4
55.05488	0.4
56.08149	0.4
57.03420	1.2
57.06812	0.9
57.07069	17.1
58.06593	1.0
58.07407	0.7
62.03502	0.5
62.06078	4.3
67.05491	0.7
69.07052	1.0
71.08617	7.6
72.08114	1.3
76.57359	0.6
79.05507	0.5
81.07030	1.0
85.10174	1.1
87.04429	0.8
98.97568	2.4
116.98615	2.7
134.99658	2.3
156.17465	3.6
164.16779	0.6
174.18495	7.6
184.20618	1.2
202.21637	6.4
290.94708	0.6
303.76663	0.5
314.27811	5.4
314.34113	100.0
315.07495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07571	3.6
57.08810	3.9
63.99794	4.1
72.26251	3.6
74.61830	4.0
78.21075	3.8
79.12910	4.0
80.40476	4.2
161.14746	4.2
229.37587	4.2
315.04327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.76524	0.5
67.05489	0.7
69.03414	0.8
75.08720	0.5
81.07045	1.2
83.55593	0.6
95.01311	0.9
95.08578	0.9
98.97559	1.2
107.04919	0.7
111.04426	0.9
116.98624	0.8
121.02824	0.6
129.03329	1.4
134.03613	10.4
135.04395	1.2
137.02324	1.4
137.05939	0.7
138.03081	8.3
149.05946	0.8
155.03395	1.4
161.02319	1.1
163.03873	5.0
166.02586	4.9
167.01949	1.4
167.03365	36.1
175.03822	1.3
178.02574	0.7
184.03687	7.8
184.05159	1.8
193.04933	0.8
197.06090	0.6
198.06718	0.7
199.07390	0.6
201.05428	1.2
212.04623	2.2
213.05420	0.7
215.06944	0.7
216.07800	0.8
217.04852	0.7
226.06261	1.1
227.06995	7.5
229.04950	2.6
240.04114	7.0
243.06476	6.7
244.07335	0.9
245.58003	0.5
254.05586	1.1
255.06456	19.2
257.04416	4.0
259.09567	6.7
268.03674	2.5
270.05130	1.0
271.05936	13.2
272.06821	6.2
282.05234	0.7
283.05930	15.6
284.03229	0.6
285.03894	0.9
287.09219	0.7
299.02780	0.7
299.05435	25.9
300.06210	36.2
312.88812	0.6
315.08572	100.0
320.45264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01859	2.8
55.05506	3.5
57.03433	10.1
59.04998	4.4
61.02928	4.7
69.03069	0.7
69.03423	13.1
70.06576	0.4
71.01336	5.6
71.04982	27.8
73.02904	25.6
75.04468	5.7
75.37697	0.4
81.03413	6.6
83.04980	1.7
85.02898	23.0
86.09687	0.5
87.04459	1.7
89.06019	28.0
91.03945	0.6
97.02885	8.3
98.97574	1.8
99.04443	25.3
103.03963	0.6
109.02896	2.0
115.03915	2.1
116.98620	0.7
117.05480	100.0
121.83323	0.5
127.03891	4.0
131.42957	0.4
133.04950	1.6
135.06516	18.6
145.04945	2.9
147.04369	0.7
152.06972	0.7
152.98558	0.5
237.02824	1.1
243.08653	0.6
300.58499	0.5
305.31995	0.5
315.04605	2.0
334.59665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28511	0.4
55.05498	0.5
57.03419	3.8
61.01139	1.6
61.02903	0.5
67.80264	0.3
69.03417	12.6
70.06587	0.4
71.04971	2.2
73.02901	0.7
73.83645	0.4
81.03391	4.2
81.07040	1.0
83.04969	0.4
85.02892	15.2
86.99023	0.4
87.04440	1.5
87.71303	0.3
89.06021	4.7
91.05456	3.7
97.02870	45.2
98.97577	1.8
99.04433	16.6
99.08063	3.2
103.03922	25.1
109.02869	1.6
113.61586	0.4
113.93839	0.4
116.98557	0.5
117.05497	4.4
117.09081	0.9
119.01636	0.4
119.03568	0.6
119.04922	9.2
127.03899	18.0
134.09630	0.4
135.05476	0.6
135.06497	2.1
135.10164	0.5
136.06168	100.0
143.01639	1.9
145.04948	6.5
147.04391	24.6
148.06178	0.7
152.05678	8.3
152.06955	1.0
152.10698	0.8
153.04153	0.4
159.06509	4.4
163.05988	4.5
164.05646	8.6
177.07605	0.6
178.07144	3.4
179.03760	0.5
185.05132	0.4
185.84822	0.4
243.08710	0.8
246.53067	0.4
261.09607	2.2
279.10553	3.7
296.08032	2.3
314.09079	10.9
314.12094	1.2
315.06799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69014	0.1
57.03431	0.3
59.04992	12.5
61.02920	0.2
61.65589	0.1
62.75300	0.1
65.03923	0.4
65.57845	0.2
66.08053	0.2
69.03445	0.3
81.80746	0.2
85.02911	1.2
91.05466	12.1
97.02877	0.2
98.97561	1.2
116.98619	1.0
117.09100	1.7
119.04925	36.7
127.03918	0.3
134.99612	0.3
135.10164	2.9
147.04395	100.0
148.04727	0.9
153.05231	0.3
179.03308	0.2
290.95135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07635	0.2
55.05489	0.4
56.96555	0.3
57.03434	2.3
61.01140	1.1
61.02911	1.1
69.03419	6.9
70.06564	0.3
71.04984	2.6
73.02887	0.5
75.61502	0.3
81.03408	2.4
81.07048	0.7
83.65816	0.3
85.02420	0.5
85.02893	9.3
85.06519	0.3
87.02666	0.3
87.04450	0.5
89.06030	4.5
91.03914	0.3
91.05486	2.4
97.02877	45.5
98.97565	1.3
99.04442	6.1
99.08087	2.9
103.02145	0.3
103.03928	10.3
103.28870	0.3
116.98596	0.7
117.05484	1.9
117.09107	0.5
119.01604	0.4
119.03564	0.5
119.04927	8.1
127.03912	6.9
128.98642	0.3
135.05389	0.7
135.06490	0.7
135.10185	0.3
136.06171	100.0
137.04590	0.5
143.01630	1.7
145.04979	2.5
147.04401	24.5
148.06166	0.6
152.05667	9.2
159.06548	1.4
161.02657	0.4
162.07782	0.5
163.06006	1.6
164.05655	8.6
168.03622	0.4
178.07253	2.8
179.03606	0.8
197.01123	0.4
237.02887	0.3
261.09564	0.6
278.06677	0.3
279.10718	1.4
296.07974	2.0
314.09070	7.7
314.12048	0.6
315.06689	0.4
337.49326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.2
57.03171	2.3
57.03434	35.5
57.07069	100.0
67.05490	21.0
69.07059	13.3
71.08244	2.3
71.08617	53.1
79.05467	2.9
80.10883	1.5
81.07034	21.4
82.04657	1.3
83.08607	13.6
85.10163	23.5
89.05990	2.6
93.07034	1.7
95.08587	26.1
97.10143	7.5
98.97578	6.7
103.07534	3.4
106.58308	1.4
107.08615	1.7
109.10146	8.9
111.49036	1.5
116.98577	5.8
134.99661	1.8
164.13162	1.5
239.23686	1.8
253.74255	1.8
255.49242	1.6
257.24731	2.0
262.76553	1.6
313.27322	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05496	0.5
56.70921	0.1
57.03427	1.0
57.05163	0.1
59.05000	1.1
60.93239	0.1
61.02923	0.2
65.00623	0.1
65.03925	0.9
69.03417	1.8
71.01352	0.1
71.04977	1.2
72.07770	0.3
72.08141	4.3
73.02905	4.2
75.04467	1.0
81.03407	0.8
85.02891	2.0
87.04450	5.0
89.02368	0.2
89.06014	0.8
89.29790	0.1
91.05470	10.9
97.02892	1.3
99.04410	1.5
101.01852	0.1
103.03907	0.3
111.04404	0.1
117.05476	9.4
117.06304	0.3
118.08665	1.6
119.04927	34.6
127.03857	0.6
135.06485	0.7
136.04768	0.5
145.04909	0.2
146.86072	0.1
147.04391	100.0
148.04681	0.3
163.03824	0.2
164.04231	0.7
179.03671	0.3
197.04797	1.6
221.06923	0.2
326.33698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67126	0.1
51.45306	0.1
52.43500	0.1
56.96544	0.2
57.03436	0.2
58.95818	0.1
59.04989	0.3
60.25743	0.2
63.19671	0.1
65.03920	0.4
69.03399	0.3
75.04477	0.2
76.55681	0.2
81.07023	0.2
83.04977	0.3
85.02880	1.3
89.06014	0.3
91.05460	13.1
97.02893	0.3
98.97540	0.3
99.04429	0.2
99.08091	0.2
99.50449	0.2
109.55846	0.2
119.04918	37.6
134.09613	0.9
145.04947	0.2
147.04387	100.0
148.04700	0.7
152.10608	0.3
163.03844	0.2
314.12375	0.3
314.15912	0.3
315.10522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03930	3.1
54.81503	1.4
55.01867	6.1
55.05270	1.7
55.05507	27.9
55.93704	1.3
56.37120	1.4
57.03430	5.9
57.07063	9.1
67.05499	38.8
68.05842	1.7
69.03390	2.0
69.07057	24.1
71.04958	6.9
71.08629	1.5
75.42479	1.6
79.05477	24.8
79.50465	1.7
81.03397	22.5
81.07043	42.7
82.07389	2.3
83.04967	11.6
83.08612	10.7
85.02903	3.5
85.10182	15.8
91.05463	16.5
92.05814	1.8
93.07027	23.7
94.07376	1.7
95.04967	17.1
95.08581	22.7
97.06487	3.1
97.10137	5.7
101.44783	1.6
105.07016	19.9
107.04956	2.2
107.08575	18.3
109.06502	6.2
109.10131	18.7
109.89005	1.5
113.09621	9.7
118.10101	2.0
119.08574	7.4
119.74511	1.4
120.08926	1.9
121.06533	2.0
121.10131	3.5
123.11631	1.9
125.09605	2.8
131.08545	3.2
133.10100	12.2
135.11679	3.0
145.10083	2.7
147.11652	3.7
149.09622	3.8
151.11176	7.2
157.10153	1.7
161.13281	2.0
165.12712	30.9
177.21098	1.6
181.12309	1.5
277.21609	41.9
295.22641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02619	1.5
53.00299	2.5
55.05508	14.6
56.36052	1.4
57.03428	39.2
57.07070	99.7
67.05485	18.0
67.53996	1.7
67.61378	1.7
69.07062	13.0
71.08618	50.7
81.07043	18.2
83.04919	1.9
83.08599	11.8
85.10169	21.8
89.06001	2.0
93.06956	1.9
95.08576	26.7
97.10145	3.5
98.97554	1.7
107.60065	1.9
109.10135	8.6
116.98638	1.8
150.64998	2.0
163.72731	1.9
188.83490	1.8
227.55383	2.2
239.23865	2.6
257.24692	2.9
313.27316	100.0
336.71262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75258	1.8
53.03933	8.3
55.01859	7.0
55.05503	20.6
57.07058	2.6
59.04995	2.8
65.03923	2.2
65.17598	1.6
67.05495	41.9
67.13465	1.6
69.03412	4.2
69.07075	18.4
71.04971	3.7
79.05059	2.5
79.05476	50.5
81.03351	3.0
81.06597	2.9
81.07038	61.8
83.04948	4.4
83.08630	2.8
86.24318	1.9
91.05463	61.3
93.07023	80.1
95.04948	50.3
95.08587	36.0
97.06506	17.7
103.05461	7.3
105.07012	100.0
107.04912	2.2
107.08578	42.0
109.06525	10.1
109.10150	28.5
111.08063	3.3
115.05424	2.1
116.06181	2.1
116.98640	2.0
117.06991	17.6
119.08562	92.7
120.21478	2.1
121.06483	21.3
121.10120	32.4
122.07250	3.1
123.08032	9.7
128.06186	9.2
129.07016	14.6
130.07761	11.7
131.08540	48.8
133.09190	3.2
133.10117	69.6
134.99635	2.5
135.08041	3.3
135.11667	9.5
137.09576	19.0
141.06958	8.3
142.07774	21.7
143.08551	36.0
144.09305	10.6
145.06464	1.9
145.10117	53.2
147.08028	3.8
147.11670	9.3
149.09590	4.3
153.06996	2.3
155.08553	16.1
156.09338	20.2
157.10094	36.8
158.10886	21.7
159.08000	2.2
159.11685	21.2
161.09601	3.7
161.13191	3.1
165.06932	2.3
167.08469	3.4
168.09337	3.2
169.10101	16.0
170.10863	9.1
171.11670	41.9
172.12622	1.9
173.09557	7.1
173.13232	57.9
175.11122	3.8
175.14731	4.5
179.08519	7.2
181.10063	9.7
182.10867	9.1
183.11729	13.4
184.12436	2.5
185.13229	7.7
186.14096	3.1
187.14827	9.0
193.10056	3.6
195.11664	4.2
196.12500	7.5
197.13246	11.5
199.14777	12.5
206.10922	4.1
207.11603	4.5
209.13226	9.2
211.14771	10.2
221.13261	4.4
223.14662	3.0
247.14697	2.4
251.17761	2.4
295.20309	15.0
313.17776	2.2
313.21445	2.5
319.61981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.05497	0.6
56.24479	0.5
57.03432	0.9
59.04972	0.8
61.02905	1.0
67.05488	0.9
69.03411	4.2
69.07054	100.0
73.06538	15.7
79.05487	4.8
81.03394	2.4
81.64285	0.5
85.02419	0.9
85.02891	14.9
97.02866	3.5
97.06515	29.8
109.02825	0.7
115.07549	90.1
127.03896	1.2
133.08577	26.8
138.31302	0.7
145.04924	0.9
196.36749	0.6
209.90987	0.7
254.00204	0.6
314.23309	0.6
314.96149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
57.03421	0.6
58.22744	0.5
61.02913	1.2
65.30536	0.5
67.05511	0.6
69.03419	3.0
69.07055	100.0
70.06565	0.6
73.06155	0.7
73.06541	17.3
79.05479	4.0
80.71594	0.6
81.03385	0.9
85.02892	14.7
88.43202	0.5
89.51586	0.6
92.08598	0.7
97.02888	4.2
97.06508	28.9
109.02878	0.9
112.22914	0.6
115.07549	86.7
124.51167	0.5
127.03889	2.2
133.08578	25.3
145.04951	0.9
158.47304	0.5
175.36382	0.6
178.24088	0.6
213.98399	0.6
237.17215	0.7
239.09464	0.6
282.03555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
57.03432	0.8
61.02913	2.6
67.05476	0.6
69.03423	4.3
69.07057	100.0
70.06586	0.8
71.04971	0.8
73.06538	19.4
79.05472	4.4
81.03398	0.9
81.08225	0.5
82.84953	0.5
85.02894	14.9
97.02885	4.0
97.06510	30.0
109.02871	0.6
115.07552	89.9
123.64680	0.5
127.03901	1.0
133.08592	22.6
143.50157	0.5
145.04984	0.9
158.88394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.9
68.64277	0.8
81.03387	2.2
85.02888	2.0
91.05457	1.6
92.09306	1.3
93.03358	1.2
109.02812	1.6
117.34836	1.1
119.04929	9.6
120.05229	1.8
121.02849	10.2
138.66470	1.0
145.02844	2.3
147.04420	11.3
148.04771	4.6
149.02373	6.7
163.03912	1.5
165.01825	1.1
167.03363	12.8
177.01810	4.6
190.04675	0.9
195.02882	7.4
229.04964	4.1
239.06985	1.5
242.05933	1.0
255.06519	1.5
256.07236	3.5
267.06506	17.1
270.05252	8.7
283.05991	18.7
284.06787	28.5
295.05997	12.5
313.07034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
54.81631	2.0
55.01870	42.0
55.05505	29.9
57.03436	14.9
57.07071	26.6
61.73000	1.7
67.05488	3.1
69.07056	25.9
71.08619	4.9
73.02904	59.4
79.05480	4.4
81.07051	8.8
83.04957	3.5
83.08601	23.5
93.07039	4.0
95.08611	9.8
97.06526	2.5
97.10162	8.3
107.08584	4.1
109.10126	2.1
111.04433	4.4
111.11723	1.7
121.10153	3.1
125.05930	2.6
135.11676	2.1
153.05475	4.7
161.47653	1.9
163.11325	2.1
209.11671	31.9
223.20705	2.1
237.11197	16.5
255.12303	3.9
274.45123	2.6
300.25781	2.0
304.90671	2.8
311.25781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
54.17644	1.4
55.01849	1.4
55.05508	98.2
57.03176	1.8
57.03429	29.7
57.07069	38.7
65.39002	1.2
67.05493	11.8
69.07059	81.5
71.08622	14.6
71.79183	1.4
73.20082	1.3
76.56760	1.2
79.05479	10.8
81.07049	14.0
83.04932	1.5
83.08608	54.5
85.06580	1.2
85.10155	5.6
93.07040	13.1
95.08610	12.6
97.06518	3.7
97.10151	34.3
107.08591	3.0
111.11700	7.8
121.10108	7.3
135.11697	2.9
173.76060	1.4
209.11761	10.7
237.11223	9.0
250.62375	1.4
279.83276	2.0
311.25781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.32210	3.8
55.05488	25.4
56.96534	6.3
62.61176	5.3
64.01723	5.4
67.05498	58.0
69.07049	9.0
71.08612	5.1
72.18404	4.3
72.87010	5.3
77.82531	5.0
79.05485	40.0
81.07037	100.0
83.08604	6.0
91.05461	24.7
93.07034	31.3
93.23560	5.5
95.04913	7.9
95.08572	37.8
99.04479	4.6
99.08105	4.9
105.06998	33.6
107.04961	11.1
107.08579	20.7
109.06506	20.2
109.10133	16.6
116.98599	6.3
119.08570	25.7
121.10103	12.0
132.43639	4.8
133.10117	20.4
134.99750	4.9
147.11632	5.2
149.13260	7.3
157.09962	5.2
181.42610	4.7
275.20010	43.3
293.21017	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	2.8
53.03936	4.1
55.01862	3.4
55.05508	16.9
55.61087	2.1
57.03431	5.4
57.07071	33.7
59.93575	2.0
60.95174	1.9
67.05501	30.7
67.98878	2.2
69.07048	21.0
71.69053	2.1
72.04496	2.8
75.62526	1.9
79.05486	38.8
81.07043	100.0
83.04967	10.4
83.08601	5.6
89.57469	2.2
91.05479	36.9
91.23948	2.3
93.07026	99.5
93.64912	2.2
95.04948	39.3
95.08595	66.7
97.06495	31.0
105.04523	2.2
105.07024	73.9
107.04945	5.0
107.08593	34.8
109.06509	13.0
109.10134	14.0
109.73985	2.5
111.04430	13.3
117.07015	19.0
119.08576	50.7
121.06490	12.8
121.10126	34.0
123.08045	8.6
123.11695	68.7
125.05943	2.4
128.06151	4.2
129.06992	15.3
130.07770	2.5
131.08533	23.3
133.10115	33.1
135.11674	8.2
141.06927	3.6
142.07782	14.5
143.08546	20.4
145.10115	38.1
147.11664	12.8
153.05408	13.8
154.07732	2.6
155.08514	5.3
156.09329	4.5
157.10074	14.5
159.11662	19.2
161.09650	3.6
161.13190	2.7
171.11717	9.5
173.09552	2.7
175.14853	8.4
180.65076	2.5
189.16287	4.3
191.10608	4.2
209.11710	58.7
219.17267	3.4
237.11198	22.2
255.12250	5.0
302.65833	3.3
310.30945	4.6
311.18658	4.3
311.23520	5.6
311.31290	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	311.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81641	3.0
55.01872	3.5
55.05511	27.3
57.03432	3.8
57.07071	10.7
67.05492	44.6
69.07056	60.7
71.05006	2.5
76.25029	2.2
77.50498	2.0
79.05479	30.6
81.03420	4.6
81.07045	40.3
83.04978	4.4
83.08620	6.2
84.66622	2.3
91.05466	58.6
93.07022	100.0
95.04949	76.5
95.08595	84.4
97.06537	24.7
103.05508	2.3
105.07011	76.8
107.08572	49.8
109.06522	9.7
109.10164	28.4
111.04430	3.4
115.05447	4.5
116.06213	2.8
117.06982	19.8
119.08555	60.7
121.06468	19.3
121.10110	39.6
123.08066	12.6
123.11690	9.9
128.06204	4.1
129.06984	13.6
130.07784	4.7
131.08549	22.9
133.10109	39.8
135.08043	11.9
135.11688	12.9
142.07782	12.5
143.08536	18.1
144.09325	10.5
145.10132	40.0
147.11708	17.5
153.05515	2.6
155.08488	3.1
157.10086	29.0
159.11653	44.3
161.09674	4.3
161.13283	12.3
167.49434	3.3
169.10080	3.7
171.11678	10.8
173.13173	10.5
175.14803	5.7
177.16354	5.7
181.94835	2.4
183.11708	3.9
185.13138	2.8
187.11191	3.0
187.14780	3.0
189.16306	5.6
195.11809	2.8
197.13182	4.1
199.14810	3.1
201.16431	4.2
209.11734	16.6
213.16263	5.0
215.17802	3.7
236.86581	2.4
237.11063	3.4
311.23700	11.1
317.37198	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.29850	1.6
53.00284	2.1
53.03939	4.1
55.01868	21.1
55.05508	56.7
57.03432	3.9
57.07069	9.8
65.03928	3.2
67.05494	100.0
69.03408	3.1
69.07055	33.4
71.04977	9.8
73.34570	1.6
77.03916	2.4
79.05479	65.5
80.55727	1.5
81.03416	16.0
81.07040	96.6
83.04971	24.1
83.08611	30.1
85.02931	1.6
85.06527	3.7
91.05462	72.7
93.07023	62.6
93.07570	3.1
95.04955	36.6
95.08588	64.9
97.02875	1.7
97.06529	12.8
97.10158	3.7
105.07019	77.5
107.04942	20.8
107.08585	47.8
109.06487	15.6
109.10151	37.7
111.04449	8.5
111.08074	8.8
113.70631	2.0
117.07004	30.5
119.08567	48.7
121.06523	13.0
121.10125	29.7
123.08049	11.6
123.11705	8.7
125.05964	2.0
125.09637	9.2
129.07007	8.1
129.95029	1.7
130.07785	2.3
131.08542	29.5
133.10106	50.4
133.11034	2.8
135.08046	7.9
135.11674	15.0
137.09610	10.8
139.11214	2.2
143.08536	2.0
145.10114	26.9
147.08041	2.9
147.11638	15.3
149.02348	2.3
149.09613	34.2
149.13290	3.4
151.11151	14.4
153.05453	2.9
155.08513	6.1
157.10120	2.5
159.08049	1.9
159.11655	14.1
161.13219	3.9
163.11162	30.7
165.12772	3.0
167.10713	1.5
169.10133	4.0
171.11581	5.3
173.09650	2.4
173.13222	7.4
175.11186	2.0
177.12738	4.1
181.12308	2.2
183.11684	3.7
191.10724	2.8
193.04942	4.2
197.13168	6.9
209.11751	20.6
223.13290	6.3
229.19572	2.9
237.11264	9.4
239.17953	7.4
247.20683	2.1
257.07584	1.8
257.19003	7.6
275.20013	62.6
290.70529	2.0
293.21054	30.8
311.24615	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03935	5.7
55.01865	12.9
55.05503	29.1
56.05854	1.5
57.03425	5.9
57.07069	22.1
67.05145	2.7
67.05492	63.1
69.03407	10.0
69.07054	27.5
71.04991	5.7
71.86340	1.2
79.05051	2.6
79.05476	47.5
81.03410	6.2
81.07039	100.0
81.66805	1.4
83.04970	12.6
83.08598	13.1
85.02877	1.7
85.06541	3.8
91.05459	43.9
92.09336	3.1
93.07018	41.8
93.15762	1.3
95.04939	13.0
95.08576	43.5
97.06493	10.1
97.10128	2.7
100.54807	1.4
105.07018	47.7
107.04943	7.6
107.08569	32.4
108.19061	1.5
108.19807	1.5
109.02836	2.0
109.06516	15.0
109.10147	22.8
111.04426	14.4
111.08071	3.5
117.06971	12.2
119.08558	35.7
121.06502	2.7
121.10114	15.5
123.08053	11.2
123.11670	1.7
125.05951	7.3
125.09653	2.7
129.06998	3.5
131.08563	14.5
133.10114	25.7
135.08047	3.0
135.11679	8.1
137.09590	6.4
142.40927	1.7
143.08542	1.9
145.10114	12.8
147.07967	3.7
147.11694	14.6
149.09593	9.0
149.13290	1.9
153.05487	13.6
156.09372	1.6
157.10139	2.6
159.11667	5.9
163.11160	10.4
165.12752	6.5
173.13266	2.1
175.11060	2.6
181.12263	5.3
191.10669	9.2
196.35423	1.7
197.13231	2.0
209.11693	53.3
235.16870	3.5
237.11186	27.1
239.17938	2.0
255.12181	5.6
257.18881	7.1
268.47992	1.5
275.20010	51.4
276.20233	1.6
293.17902	2.7
293.20880	16.5
311.18640	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03938	2.9
55.01860	15.6
55.05500	27.5
57.07072	24.2
67.05494	69.3
69.06716	3.2
69.07054	50.1
71.04974	4.4
78.27026	2.5
79.05476	40.3
81.03407	13.2
81.07041	100.0
83.04953	16.6
83.08600	10.7
91.05463	35.2
92.09275	3.7
93.07021	47.7
95.04947	29.7
95.08585	50.6
97.06509	6.2
97.86743	3.3
105.07009	56.4
107.04936	13.9
107.08575	23.6
109.06494	12.5
109.10129	14.8
111.04442	13.6
112.13295	2.9
117.07004	14.5
119.08576	31.0
121.10107	16.5
123.08044	13.6
123.11678	18.1
129.06946	4.0
131.08536	12.7
133.10112	15.4
134.28305	3.0
135.08057	5.1
135.11638	5.5
137.09592	6.3
145.10120	11.1
147.11716	17.6
149.01279	2.9
149.02330	21.9
149.09676	4.2
149.13203	3.6
153.05457	6.3
159.11703	4.4
163.11154	3.9
181.04941	4.4
181.12102	2.7
191.10698	6.5
193.04968	15.8
209.11693	38.4
237.11133	11.8
275.20010	39.4
293.21143	30.7
311.18661	3.4
311.24451	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	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.12980	1.1
54.23904	1.2
54.62004	1.2
55.01859	8.9
55.05511	17.6
57.07067	38.3
62.17950	1.2
67.05479	10.7
68.08477	1.3
68.99793	1.9
69.07049	3.0
71.01362	2.5
71.04990	1.8
79.05472	11.2
81.07042	11.0
81.22964	1.5
83.04975	18.0
83.08606	8.8
91.05466	6.2
93.07027	14.2
93.81415	1.5
95.04951	27.5
95.08588	5.9
97.06496	2.8
97.10139	5.1
105.07021	7.4
107.04942	7.6
107.08575	11.5
109.02863	2.5
109.06503	3.6
111.04427	38.7
111.08085	3.0
119.08529	2.6
121.10120	6.0
123.08060	1.5
125.05965	9.7
125.09597	3.1
131.08516	3.2
133.10068	1.9
135.04425	2.9
135.08093	1.3
135.11644	2.9
145.10161	10.0
146.83357	1.4
149.09572	12.9
153.05450	23.6
163.11118	12.1
173.09633	1.6
181.04892	1.6
181.12204	12.6
189.11220	2.2
191.10638	14.0
208.21909	1.5
209.11694	100.0
217.88110	1.3
223.13341	10.3
237.11157	43.7
255.12219	16.4
275.20026	10.1
293.17456	6.9
293.21115	13.1
311.18463	7.7
311.21872	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	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.44403	0.4
58.63994	0.4
58.94907	0.4
59.37630	0.4
69.03422	0.8
70.04062	0.4
79.05478	2.1
79.62075	0.5
82.52588	0.4
84.49818	0.6
85.02892	3.2
91.05478	0.9
92.08650	0.9
94.04176	2.5
95.04948	1.0
97.02821	0.8
103.05452	33.5
105.07041	3.8
107.04934	1.0
109.02905	0.5
109.06499	2.3
115.05443	0.7
122.03650	4.1
129.06982	0.8
131.04910	100.0
133.06461	2.0
137.05956	32.3
144.05714	0.8
149.04779	0.9
149.05966	25.2
155.04927	2.2
159.08054	2.7
161.05949	3.9
165.06955	1.8
172.05177	0.5
175.07481	0.8
179.08546	0.6
187.07547	6.3
189.06972	2.8
190.07729	13.2
191.08534	25.4
201.07114	0.6
202.07706	0.9
205.06528	0.7
207.08020	3.9
208.08827	3.3
218.07231	6.3
219.08014	26.5
220.08844	2.8
229.07549	0.8
235.07515	3.1
236.08241	4.8
246.06804	0.8
247.07520	7.0
248.08211	0.7
251.10622	28.7
253.08533	2.1
263.06906	0.6
264.07758	4.2
279.10104	12.8
280.10904	1.1
281.08060	2.5
296.10403	2.3
311.12640	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	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.09805	0.1
55.05505	15.2
57.09750	0.1
61.48233	0.1
61.91396	0.1
65.03918	1.3
67.37682	0.1
69.33076	0.1
73.06538	7.7
78.31238	0.1
82.70238	0.1
91.05451	1.3
92.08690	0.2
93.03385	0.6
111.04440	0.3
117.06953	0.1
121.02847	6.4
121.03941	0.8
129.07010	1.1
131.08531	1.5
137.05943	1.0
143.04893	0.6
147.08060	0.3
149.02324	100.0
150.02646	0.2
157.06445	0.5
161.05960	2.3
167.03386	1.1
172.12093	0.1
175.07515	7.3
185.05968	0.2
190.07669	0.2
191.08542	0.7
203.07007	7.5
219.08029	0.3
221.08041	1.1
235.07626	0.1
251.10707	0.7
264.08142	0.1
275.12717	2.2
279.10016	0.3
293.13812	3.1
311.12622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85408	0.1
53.03936	0.3
53.66685	0.1
55.01855	0.2
55.05505	15.9
58.24596	0.1
65.03912	1.5
67.05485	0.2
69.03403	0.3
69.07030	0.1
73.06538	7.9
73.67356	0.1
81.07040	0.2
91.05456	0.9
92.08673	0.2
93.03389	0.9
105.07017	0.2
107.04882	0.2
111.04410	0.4
116.83850	0.2
117.07067	0.2
121.02843	5.5
121.03961	0.6
129.06975	0.7
131.08575	1.5
133.06541	0.2
141.15497	0.2
143.04884	0.8
147.08009	0.2
149.02322	100.0
161.05980	2.2
167.03342	1.5
175.07503	6.9
185.05956	0.3
203.07008	6.6
219.10445	0.1
221.08063	1.6
275.12677	2.1
293.13757	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.32727	0.5
55.01875	0.7
55.05502	4.5
57.03431	1.4
59.51139	0.5
59.51505	0.6
61.02913	3.3
63.38481	0.5
67.05486	1.0
69.03418	100.0
71.04989	7.0
77.78800	0.6
81.03403	55.5
83.04969	9.4
83.47351	0.7
84.10238	0.6
85.02890	22.9
85.06523	2.8
95.04961	3.7
97.02883	7.9
98.06050	1.4
99.04436	40.2
99.88271	0.7
109.02865	1.4
112.07617	2.6
113.06001	10.6
123.04419	3.4
127.03904	4.0
130.08624	1.1
131.03447	0.7
131.07002	8.5
145.04955	3.0
165.05324	0.7
193.79562	0.7
207.06526	2.4
225.07668	2.8
243.08588	13.1
261.09613	1.4
288.50137	0.6
310.11209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83228	0.2
51.10723	0.2
57.03439	0.3
61.02913	0.6
62.03525	0.3
69.03413	1.4
71.04978	100.0
72.45345	0.2
73.02885	0.3
75.68834	0.2
75.74265	0.2
79.51534	0.3
80.29570	0.3
81.03429	0.4
85.02892	5.4
97.02889	2.0
99.04443	0.5
113.05985	8.0
127.03912	0.5
131.07021	39.3
145.04955	0.5
148.09708	0.5
149.01149	0.3
180.08630	0.3
261.89825	0.3
311.50922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
56.23629	0.5
57.03422	0.6
57.07069	0.7
61.02885	0.8
66.50902	0.5
67.05491	1.2
69.03407	3.6
69.07045	2.5
71.04970	1.3
72.63846	0.5
76.18230	0.5
81.03382	1.0
85.02885	8.6
90.63323	0.5
91.05466	0.9
92.73838	0.6
93.07017	0.7
95.08588	17.3
97.02865	3.3
98.97549	0.5
99.04413	3.2
113.06002	2.2
113.09629	100.0
119.04956	1.4
120.05188	1.0
127.52655	0.6
128.33481	0.5
131.07034	2.1
131.10658	17.8
135.04324	0.8
136.11880	0.5
137.05885	0.5
147.04388	4.1
148.04720	3.9
149.70100	0.6
163.03876	3.9
184.42892	0.6
310.09863	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00302	2.6
53.03939	3.0
54.88483	1.5
55.01867	4.4
55.05505	43.2
57.03430	8.9
57.07067	7.7
67.05495	80.2
69.03434	1.6
69.07058	35.4
71.04981	3.2
71.08617	83.9
79.05478	74.9
81.03405	13.6
81.07042	85.3
83.04967	26.8
83.08601	13.7
85.06533	3.7
86.84625	1.7
91.05463	44.1
93.07024	100.0
95.04949	22.0
95.08593	56.1
97.06514	19.0
97.10162	3.8
99.08074	48.0
105.07032	28.5
107.04942	11.5
107.08587	51.6
109.06524	4.2
109.10133	22.2
111.08071	3.7
113.09632	2.4
117.07004	3.8
119.08559	26.6
121.06493	2.2
121.10124	31.8
123.08041	2.0
127.11203	2.6
131.08525	3.7
133.10126	17.9
135.11671	42.3
137.09700	7.3
141.09146	6.6
143.08562	3.0
145.10130	8.5
147.11716	2.8
149.13257	11.2
151.11157	31.1
153.12672	3.4
159.11716	2.6
161.13248	12.5
163.11168	12.0
177.12721	4.2
179.14281	89.8
189.12700	2.8
241.19458	2.8
244.46086	2.2
250.47331	1.7
259.20633	4.3
277.21573	78.0
309.24390	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	310.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01867	0.6
57.03431	9.9
61.02927	3.1
69.03077	0.4
69.03424	9.0
71.04982	2.5
72.45797	0.4
73.02903	1.1
81.03410	3.0
84.04501	0.7
85.02895	100.0
85.06546	0.9
97.02885	5.5
99.04448	3.5
102.05517	0.5
109.02885	1.0
113.02353	30.5
113.05995	2.4
127.03916	3.7
130.04987	0.5
131.03386	41.7
131.07030	2.1
132.94934	0.5
145.03246	0.5
145.04926	3.9
163.05978	0.7
213.47163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83029	5.6
55.01873	15.6
55.05517	7.3
55.63824	7.0
56.96558	6.9
57.03431	7.2
67.05492	45.0
79.05491	12.6
81.03397	6.6
81.07001	6.5
85.02901	7.9
91.05466	7.8
94.06533	69.0
101.06039	7.4
107.04955	36.9
112.52069	7.1
122.05999	100.0
138.09172	13.9
147.04434	6.9
189.75159	7.0
197.10568	7.1
240.12714	8.4
277.12576	8.6
278.06064	9.3
286.13248	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49765	0.3
57.03434	0.7
57.07058	0.5
58.44879	0.3
61.02912	0.7
62.96748	0.3
65.80273	0.3
67.05483	3.9
69.03416	2.2
71.04977	100.0
74.09692	0.3
74.90373	0.3
77.43077	0.5
85.02884	10.0
85.03362	0.5
85.06531	1.8
88.23602	0.3
91.03940	0.5
95.04948	6.2
97.02891	1.9
99.04438	0.5
105.42495	0.4
109.02904	0.6
113.05988	27.4
127.03889	1.6
131.07018	45.4
145.04947	0.8
148.34012	0.3
161.53250	0.4
168.83720	0.3
168.85202	0.4
180.08688	0.4
182.15773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03927	4.3
55.01851	2.9
55.05301	1.5
55.05505	25.3
57.03422	7.8
57.07065	3.0
64.40776	1.5
64.52977	1.9
66.22140	1.9
67.05179	2.4
67.05496	36.4
69.03402	2.4
69.07069	15.5
70.64721	1.6
73.59200	1.5
79.05056	2.6
79.05480	41.7
81.03377	3.0
81.07041	44.7
83.04920	2.3
83.08611	2.8
91.05468	56.7
93.07026	92.9
95.04955	53.5
95.05534	1.9
95.08586	39.0
97.06519	13.4
103.05489	3.0
105.04487	2.2
105.07020	100.0
107.08585	43.1
109.06519	12.4
109.10144	17.4
115.05421	4.3
117.06998	26.6
119.08570	59.6
121.06490	4.2
121.10132	65.2
123.08042	10.7
123.11709	1.9
128.06181	13.3
129.06978	18.7
130.07753	11.5
131.08554	34.7
133.06480	3.2
133.07596	2.1
133.10120	36.7
135.08037	3.0
135.11655	6.6
141.06963	11.0
142.07799	19.1
143.08569	33.4
144.09343	14.1
145.06473	2.0
145.10106	45.7
147.08000	1.9
147.11668	7.5
154.07747	3.6
155.08556	16.2
156.09309	13.3
157.10120	30.2
158.10902	3.8
159.08047	4.2
159.11673	32.2
161.09636	3.8
161.13271	2.9
163.11142	2.0
167.08527	4.2
169.10147	17.9
170.10864	3.5
171.11647	15.6
173.13237	14.4
179.08534	2.1
181.10106	7.9
182.10915	4.3
183.11665	12.1
185.13243	11.0
187.11179	6.5
187.14789	11.4
195.11638	2.5
196.12437	2.3
197.13235	7.4
199.14839	3.2
201.16330	2.4
207.11658	2.7
209.13100	2.8
211.14726	3.1
223.14798	2.2
225.16231	1.9
253.15732	2.3
309.22092	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05499	22.7
57.03440	4.3
57.51505	2.5
60.71004	2.8
67.05497	42.8
69.07067	7.9
79.05483	47.3
81.03426	4.2
81.07042	45.6
83.05005	2.9
84.68906	2.9
91.05464	57.2
93.07022	100.0
95.04946	52.7
95.08588	39.5
95.48466	2.8
97.06549	6.9
97.78928	3.0
98.98479	5.1
105.07020	93.2
107.08584	37.8
109.06533	4.0
109.10144	20.9
117.07001	20.6
119.08553	67.1
121.06493	4.7
121.10127	62.4
123.08077	6.1
123.69495	3.3
128.06224	15.8
129.06992	21.8
130.07780	4.2
131.08528	39.6
133.10104	29.9
135.11644	14.4
141.07016	4.3
142.07765	25.0
143.08553	27.7
144.09335	12.2
145.10081	49.1
147.11705	14.6
149.70993	3.5
153.07109	5.1
154.07764	4.3
155.08498	11.7
156.09311	13.0
157.10130	37.2
158.10925	5.0
159.11638	25.5
161.09608	5.9
161.13257	5.2
167.08578	7.6
168.79329	3.7
169.10149	21.3
171.11667	15.8
173.13254	5.3
181.10120	6.0
183.11723	14.6
185.13231	14.8
187.14804	16.8
197.13280	6.7
239.18098	4.2
245.81384	3.2
247.31192	3.2
271.13519	3.3
309.22110	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01857	4.9
55.05508	20.5
57.03429	4.9
57.07065	5.1
58.20334	2.2
63.96831	2.2
65.03915	3.5
67.05495	33.2
69.07053	15.5
79.05482	49.5
81.03419	2.7
81.07037	48.1
83.08612	3.3
91.05465	66.7
92.08555	6.6
93.07027	82.8
93.07571	3.3
95.04947	54.2
95.08582	52.0
97.06516	6.6
105.07016	100.0
105.07731	3.5
107.08559	38.1
109.06498	7.0
109.10129	14.2
115.05444	3.7
117.07016	28.0
119.08558	75.0
121.06479	11.9
121.10125	60.2
123.08025	3.3
128.06223	13.2
129.06998	25.1
130.07797	4.0
131.08531	42.8
133.06468	4.0
133.10092	38.2
135.08037	3.4
135.11633	3.8
141.06982	11.9
142.07758	20.3
143.08585	32.6
144.09331	12.3
145.10121	57.1
147.11685	11.4
155.08546	11.8
156.09328	12.8
157.10107	35.6
158.10915	6.2
159.08078	3.6
159.11699	30.0
161.09602	3.8
165.06958	3.7
167.08521	5.1
168.09348	3.5
169.10146	17.3
171.11671	13.5
173.13225	4.5
179.08490	4.0
181.10114	5.4
183.11711	11.5
185.13263	4.8
187.11099	4.7
187.14824	15.2
193.10091	3.7
195.11702	5.9
197.13223	14.4
199.14848	4.2
207.11638	3.6
209.13219	3.7
239.14336	3.0
255.62408	3.3
300.43405	3.3
309.22064	15.3
309.38727	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	7.7
55.01867	31.3
55.05505	44.9
57.03432	3.3
57.07064	2.3
65.03931	3.2
67.05494	97.4
69.03412	2.6
69.07056	26.9
71.04976	11.0
75.26572	1.8
79.05479	60.6
81.03418	3.4
81.07042	100.0
83.01341	3.6
83.04958	13.8
83.08613	11.5
85.02861	1.6
85.06518	11.4
91.05460	67.2
93.07025	61.2
95.04945	23.8
95.08591	26.6
97.02901	2.6
97.06528	7.9
97.10111	1.8
99.04456	3.3
105.04504	1.8
105.07017	75.6
107.04921	14.6
107.08582	52.6
109.02913	2.0
109.06516	16.6
109.10145	86.6
111.04440	7.2
111.08092	10.1
113.06003	2.9
115.05401	2.0
117.07001	10.2
119.08569	19.0
121.06490	17.1
121.10114	11.6
123.04429	3.6
123.08074	4.0
123.11685	11.7
125.05970	2.0
127.07562	3.0
128.06186	2.8
129.06976	7.6
131.08571	18.1
133.06477	8.7
133.10106	71.5
135.08058	8.9
135.11679	9.6
137.09665	2.2
139.07512	2.9
143.08556	8.9
145.10146	14.0
147.08058	9.8
147.11673	11.0
149.09612	2.7
151.11176	30.6
157.10164	3.5
159.11676	2.8
161.09576	13.6
161.13382	1.8
163.11157	2.5
169.12184	4.1
171.11588	5.0
175.11148	3.0
179.10651	2.7
179.97516	1.8
185.13284	1.8
189.12657	3.5
191.14133	2.1
195.19270	1.7
199.11272	2.2
245.19017	9.8
263.19955	11.7
273.18384	29.0
291.19489	41.7
309.20493	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03932	2.7
54.53053	0.6
55.01873	5.2
55.05505	22.1
57.03420	0.9
59.04986	0.9
65.03918	1.2
67.05496	23.8
68.11033	0.5
69.03428	1.2
69.07058	6.7
69.64067	0.5
71.04971	0.8
78.31700	0.5
79.05475	47.2
81.03388	1.3
81.07041	16.6
83.04955	2.7
83.08602	9.5
89.30209	0.6
91.05463	20.9
92.09403	1.5
92.56180	0.5
93.07024	19.8
95.04951	9.5
95.08578	8.2
97.10167	12.3
105.04507	0.6
105.07004	10.5
107.04941	100.0
107.08570	16.2
109.06525	3.5
109.10142	14.3
111.08049	0.7
115.05432	2.6
117.06999	10.6
119.04869	0.7
119.08560	14.4
121.06461	0.7
121.10110	4.5
123.07994	1.1
125.09622	5.7
128.06143	0.8
129.06964	4.0
131.08562	6.3
133.06467	1.4
133.10100	2.6
135.08035	20.9
135.11626	0.7
137.09567	5.0
143.08557	2.4
145.10097	5.8
147.08055	6.7
149.09604	1.2
155.10664	0.7
157.10129	1.5
161.09598	3.0
161.11513	0.7
163.11177	0.8
165.09129	0.9
171.11636	1.0
173.11702	7.1
189.11224	1.5
207.95007	0.8
255.17422	1.0
273.18503	9.2
291.19489	18.0
309.20593	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	5.8
53.16330	0.9
54.76199	0.7
55.01863	5.5
55.05507	11.4
55.26244	0.7
56.02795	0.7
57.03420	2.2
67.05492	17.0
69.03426	1.1
69.07047	3.8
71.04957	2.1
79.05478	42.1
81.03387	6.1
81.07041	100.0
83.04969	1.4
83.08588	2.0
85.06497	1.2
91.05461	16.6
92.09107	1.6
93.07030	15.8
95.04948	10.5
95.08615	6.9
105.07021	12.3
107.04956	8.1
107.08576	8.3
107.82099	1.0
109.06506	52.4
109.10151	1.6
111.04424	1.0
111.08009	1.4
117.06997	9.5
119.08549	8.9
121.06478	3.9
121.10150	5.5
123.08051	4.5
129.06943	2.3
131.08539	8.8
133.06459	1.7
133.10126	1.5
134.01231	0.8
135.08052	4.0
135.11713	1.3
137.09546	1.0
142.24625	1.0
143.08507	3.3
145.10075	6.4
147.08040	4.2
147.11639	1.1
149.09598	5.5
157.10146	1.1
161.09621	6.4
163.11188	2.1
166.01146	1.1
173.09555	0.9
220.42821	1.0
220.94539	0.9
273.18329	7.3
291.19449	10.9
324.08292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.87858	1.1
53.03944	1.8
54.81337	1.5
55.01868	28.5
55.05506	31.5
57.03434	5.9
65.03925	2.1
67.05495	84.9
69.03426	2.8
69.07052	25.6
71.04983	13.4
72.60992	1.3
79.05479	45.2
81.03407	5.9
81.07044	84.7
83.01363	1.8
83.04961	15.4
83.08610	8.7
85.02893	2.0
85.06535	9.0
91.05467	69.7
93.07027	50.5
95.04954	13.9
95.08582	26.2
97.02908	1.9
97.06537	5.8
97.10180	2.4
99.04471	2.5
105.07020	67.8
106.07820	1.6
107.04941	8.7
107.08593	55.5
108.98671	1.5
109.06522	10.9
109.10149	100.0
111.04453	6.9
111.08083	6.5
113.06002	2.6
117.06954	10.8
119.08575	17.6
121.06499	9.2
121.10144	10.4
123.04434	1.7
123.08071	3.7
123.11684	10.9
127.07504	3.0
129.06982	3.5
131.08566	13.6
133.06468	3.4
133.10110	73.2
135.08037	1.9
135.11618	3.6
137.05959	2.8
139.07521	2.6
142.07779	1.8
143.08580	2.8
145.10153	8.1
147.08078	6.8
147.11678	2.7
149.09659	2.8
151.11156	31.9
159.11568	1.9
161.09599	8.4
163.11227	1.8
165.09171	1.5
169.12187	11.1
171.11659	2.1
176.54219	1.5
179.10753	2.0
181.12242	1.4
189.12819	1.5
215.12729	3.0
227.17902	1.5
245.18983	7.5
263.19968	7.1
271.87817	1.7
273.18436	21.9
291.19495	29.1
309.20560	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00312	0.7
53.03935	2.0
55.01864	7.9
55.05505	38.0
57.03425	2.1
57.07058	0.6
59.04990	0.8
64.93568	0.5
65.03927	0.6
67.05138	0.9
67.05491	21.5
69.03415	7.0
69.07056	19.6
71.04975	2.2
79.05473	24.2
81.03391	6.0
81.07039	19.9
83.04977	3.8
83.08600	15.5
85.06526	0.6
90.95290	0.5
91.05464	17.2
93.07025	14.5
94.04153	0.7
95.01305	0.8
95.04936	9.2
95.08579	9.2
97.02851	5.7
97.06494	1.0
97.10146	19.3
103.05450	0.6
105.04478	0.7
105.07012	12.3
107.04934	7.5
107.08567	12.5
109.02905	0.9
109.06512	3.1
109.10149	3.5
111.04412	0.8
111.08089	2.2
115.05430	0.7
116.06250	0.7
117.06985	7.3
119.04916	2.5
119.08562	10.9
121.06495	3.4
121.10138	4.0
123.04469	0.6
123.08054	4.4
123.11659	0.6
124.45615	0.6
125.09592	9.6
129.06978	3.2
131.08543	7.0
133.06473	4.6
133.10129	2.9
134.07253	0.8
134.38062	0.7
134.49289	0.6
135.08032	2.5
135.11713	0.8
137.09613	2.3
142.07802	0.6
143.08566	2.3
145.10097	4.8
147.08044	6.3
147.11656	0.7
149.09612	1.0
155.16917	0.5
157.10143	2.3
159.11703	2.4
161.09615	2.7
162.10413	1.2
163.11151	1.0
165.09100	1.1
167.07031	0.6
175.11101	2.0
189.11217	3.6
193.12210	0.7
205.12239	1.0
223.13266	13.8
249.14842	1.3
255.17403	0.7
273.18433	6.4
285.10104	0.6
291.19489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.06897	1.9
53.03950	3.4
55.01874	29.1
55.05510	39.4
55.78691	1.9
59.04996	2.3
59.11435	2.5
65.57434	2.6
67.05498	50.2
69.03419	4.0
69.07059	11.0
71.04984	4.8
78.02870	2.0
79.05486	66.2
81.03400	3.4
81.07040	100.0
83.04974	53.2
83.08620	12.4
85.02911	11.2
85.06509	3.8
91.05464	28.5
93.07029	40.7
95.04935	21.0
95.08601	17.5
97.06522	5.1
97.10154	9.8
99.04449	2.4
99.08083	3.4
103.16733	2.7
105.07025	23.1
107.04972	5.0
107.08590	23.3
109.06530	21.1
109.10162	11.1
111.04439	61.5
111.08080	17.8
117.07014	25.4
119.08567	32.5
121.06492	12.9
121.10128	13.7
123.08075	16.0
125.09643	4.8
129.07025	4.3
131.08595	15.1
133.10144	4.3
135.08070	3.7
135.11703	10.2
143.08614	5.6
145.10081	19.6
147.08046	14.8
149.09639	4.3
153.12747	10.4
155.08424	3.8
157.10121	3.5
161.09654	3.6
163.11171	24.3
165.09073	2.3
173.09599	3.2
181.12245	12.5
189.11307	2.5
191.10606	4.8
209.52794	2.3
223.13422	4.0
249.14742	3.8
249.99568	2.5
273.18466	23.2
277.89966	2.2
291.19537	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	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63336	0.2
52.91655	0.2
53.03917	0.3
57.03415	1.2
65.03894	0.9
69.03414	3.4
71.01319	0.3
71.04968	0.6
73.41705	0.3
81.03388	1.2
85.02888	1.5
89.24905	0.3
91.05462	13.8
92.09345	0.3
94.19869	0.3
97.02868	5.7
99.04417	1.1
101.02381	0.4
119.04921	37.5
127.03929	0.4
136.21538	0.3
147.04390	100.0
148.04752	0.4
165.05447	1.5
195.00087	0.3
266.28983	0.3
291.08524	0.4
309.09616	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01845	0.2
57.03429	0.8
65.03930	1.0
69.03419	2.5
69.07047	0.3
71.01358	0.3
71.04971	0.2
81.03401	1.4
83.36407	0.2
85.02879	1.7
89.36762	0.2
89.60710	0.2
91.05463	12.8
97.02878	5.7
99.04424	0.3
101.02428	0.2
109.02895	0.3
119.04926	39.1
123.04375	0.2
142.26080	0.2
147.04396	100.0
148.04741	0.4
165.05453	1.4
248.54184	0.2
291.08505	0.4
300.98441	0.2
309.09604	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64261	0.3
53.03933	0.6
55.01844	0.3
55.05523	1.0
57.03420	1.4
57.71997	0.3
61.02934	0.3
64.33552	0.3
65.03921	0.3
67.05486	0.7
69.03420	4.0
69.07027	0.6
71.01334	0.4
71.04971	0.5
79.05479	0.5
81.03386	1.3
81.07037	0.4
84.05334	0.3
85.02886	2.9
91.05463	13.4
93.07005	0.6
97.02879	6.4
97.06512	0.6
98.97565	0.5
99.04427	0.4
100.11195	0.7
107.04937	0.5
118.06522	1.8
119.04923	37.9
129.12750	0.3
132.95831	0.4
133.87994	0.3
146.05983	3.1
147.04395	100.0
158.54297	0.3
158.99619	0.4
161.06133	0.4
165.05440	1.7
174.96939	0.6
182.15431	0.3
188.07054	2.1
191.03371	0.6
259.09802	0.4
291.08746	0.4
294.74255	0.3
309.09506	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.25311	1.6
53.03930	4.7
55.01864	22.3
55.05505	87.2
57.03180	3.0
57.03433	68.0
57.07053	2.0
58.04240	1.6
59.04984	3.6
67.05494	57.5
69.03434	2.5
69.07059	18.2
71.04978	3.1
79.05475	73.7
81.07041	93.2
83.04962	9.4
83.08605	27.8
83.26798	1.9
85.06522	10.0
91.05466	61.4
93.07027	43.3
95.04965	20.0
95.08587	29.1
97.06528	4.5
97.10155	28.5
99.08084	9.6
101.06028	2.4
103.05473	2.1
105.07020	39.0
107.04950	38.3
107.08580	32.8
109.06500	33.2
109.10136	11.5
111.08031	3.0
113.92261	2.2
117.06988	39.1
119.04906	4.7
119.08575	56.9
120.81052	2.1
121.06487	19.1
121.10104	11.7
123.08057	22.9
125.09611	17.3
128.06177	3.5
129.06972	19.8
131.08560	29.7
131.35869	2.2
133.06464	3.6
133.10081	5.1
135.08052	17.3
135.11676	4.7
139.49345	2.2
141.07019	2.4
143.08542	11.5
145.06482	3.6
145.10149	26.9
147.08058	26.1
147.11690	3.6
149.09619	12.5
157.10094	11.7
159.07947	3.7
159.11627	3.8
161.09604	16.7
163.11179	3.7
164.03001	1.9
171.11633	3.8
173.13246	5.1
182.15424	2.4
183.11671	3.0
189.11191	4.4
199.14940	2.1
201.12755	2.4
210.14832	2.4
217.15739	2.6
219.13754	8.8
223.13326	3.1
235.16643	2.2
245.19093	2.8
249.14870	4.5
273.18472	45.6
291.19516	100.0
291.22797	3.5
316.03970	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04757	0.2
53.03931	0.6
53.52211	0.2
57.03413	1.3
60.59220	0.2
65.03927	1.0
69.03411	3.5
71.01348	0.2
72.54745	0.3
75.27175	0.2
76.92082	0.2
81.03397	1.5
85.02428	0.2
85.02874	1.7
91.05460	14.6
97.02866	5.0
99.04418	0.4
119.04919	39.0
127.03946	0.4
134.55817	0.2
141.13333	0.2
144.46355	0.3
147.04385	100.0
165.05501	1.8
181.41959	0.3
182.77800	0.2
291.08612	0.3
302.95267	0.3
309.09613	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
57.03417	1.2
60.22432	0.2
61.84198	0.2
65.03918	0.5
69.03417	3.1
71.01324	0.3
71.77676	0.2
78.46460	0.2
81.03393	1.2
82.10921	0.2
83.50346	0.2
85.02876	1.4
85.97861	0.2
91.05460	12.7
93.55353	0.2
94.93581	0.2
97.02872	5.5
99.04436	0.3
119.04921	37.9
127.03795	0.3
131.28706	0.2
147.04390	100.0
148.04781	0.3
165.05438	1.2
175.31790	0.2
248.93875	0.2
291.08716	0.4
306.82184	0.2
309.09641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47875	0.2
53.03923	0.6
55.59699	0.2
57.03416	1.6
62.67112	0.3
63.79879	0.3
65.03909	0.5
66.01830	0.2
69.03416	5.0
69.93136	0.3
71.01314	0.3
71.04948	0.3
81.03391	1.6
85.02898	2.7
87.32632	0.3
91.05464	12.9
97.02876	8.0
99.04437	0.4
119.04920	35.4
121.08432	0.4
123.04427	0.4
130.06464	3.4
131.06833	4.1
133.04782	0.3
147.04390	100.0
148.07549	0.4
149.07892	1.4
158.06010	0.5
159.06293	1.9
165.05455	1.9
176.07007	1.4
177.07365	3.3
205.06998	0.3
223.07996	0.6
291.08517	0.6
309.09698	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.00301	1.6
53.03939	1.7
55.01862	8.7
55.05505	30.3
57.03418	2.4
57.07058	4.7
59.04990	1.4
67.05492	60.1
69.03420	2.0
69.07051	46.1
71.04978	3.0
79.05477	43.3
79.25665	1.1
81.07040	76.9
83.04970	14.8
83.08605	9.7
85.06537	1.7
85.47120	1.0
91.05459	42.0
93.07022	53.4
93.86610	1.1
95.04939	15.4
95.07996	2.5
95.08582	39.4
97.06552	8.2
97.10167	2.1
103.05443	1.3
105.07016	56.8
107.04940	14.3
107.08575	27.9
109.06501	26.2
109.07183	1.7
109.10142	18.9
111.08076	2.0
117.07008	12.0
119.08563	29.7
121.06487	19.7
121.10121	18.5
123.08052	10.5
123.11704	5.4
125.09635	1.9
129.06976	4.8
131.08543	27.6
133.06497	5.1
133.10101	35.6
135.08047	7.0
135.11679	9.9
137.09653	2.0
141.06979	1.8
142.07693	2.0
143.08536	5.4
145.06488	1.9
145.10103	20.8
147.08020	5.5
147.11662	18.1
149.09616	9.3
149.13252	2.1
151.11104	8.6
155.08572	4.8
157.10132	4.9
159.08023	1.3
159.11673	13.0
161.09660	1.7
161.13269	8.0
163.11150	10.8
169.10091	2.1
171.11627	4.4
173.09657	2.2
173.13278	7.9
175.11185	2.6
175.14700	1.5
177.12671	3.7
183.11673	2.0
187.11226	1.6
187.98077	1.2
189.12756	1.4
191.14336	6.7
197.13290	2.4
201.12598	4.1
207.13797	5.5
212.40750	1.2
213.60385	1.2
215.14290	1.8
219.13771	5.7
229.19553	2.8
239.17972	1.8
247.20628	2.5
257.18958	16.5
275.19998	100.0
289.21460	4.8
307.22629	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	30.0
53.11201	5.1
54.45048	5.1
55.01854	29.1
55.05508	66.0
57.07051	6.6
62.91462	5.2
64.23321	5.7
67.05486	80.3
69.07040	29.2
79.05478	100.0
81.03400	43.0
81.07052	80.1
83.04967	28.7
91.05466	69.0
93.07040	73.4
95.01297	8.2
95.04942	13.4
95.08588	40.6
97.06490	13.7
97.10116	10.6
101.41144	5.5
105.07033	82.0
107.04969	53.0
107.08580	52.5
109.06492	6.6
109.10126	7.1
117.06977	23.7
119.08557	41.7
121.06525	7.3
121.10171	8.1
123.08023	7.8
125.09586	14.3
131.08519	13.1
133.10106	32.6
145.10110	10.7
147.11714	10.0
149.09558	25.8
159.11673	14.2
177.12753	9.2
179.14244	10.9
191.18178	5.7
203.12746	10.0
218.78041	6.0
257.19046	7.2
275.19980	62.4
307.22479	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	308.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52822	0.4
55.13053	0.4
87.00803	1.8
88.22310	0.5
92.08730	0.5
111.90216	0.4
113.05984	1.0
118.06535	0.8
120.08093	11.9
130.06509	100.0
132.04427	22.8
148.07562	34.2
151.95488	0.4
158.05992	43.2
176.07040	84.8
177.07384	0.6
191.19720	0.4
204.06541	7.7
222.07582	15.9
272.05441	0.5
290.06268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.09735	0.1
52.63509	0.1
52.63754	0.1
53.67180	0.1
54.82036	0.2
55.00150	0.1
55.05516	0.2
56.72300	0.1
57.07063	0.3
57.21643	0.1
58.02938	0.3
60.04765	0.1
64.61794	0.1
64.70953	0.2
66.04701	0.3
67.05498	0.1
67.59153	0.1
71.08617	0.3
79.05473	0.9
81.07063	1.3
91.05444	0.3
93.64805	0.1
94.04169	2.4
95.04972	0.2
95.08575	0.4
98.11080	0.2
107.04973	0.2
107.74387	0.2
115.04143	0.2
122.03629	9.1
137.05966	100.0
164.38876	0.2
172.16937	1.3
184.16936	1.5
211.62741	0.2
308.22253	0.3
324.51599	0.2
331.49008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03938	6.6
55.01863	18.1
55.05505	44.1
57.03430	4.1
57.07096	0.9
58.70337	0.9
60.45781	0.8
62.29160	0.8
64.33335	0.8
65.03923	4.9
67.05489	32.4
69.03412	2.2
69.07070	9.0
71.04977	3.6
76.56323	1.0
79.05474	63.7
81.03409	6.3
81.07038	100.0
83.01326	4.5
83.04984	7.1
83.08619	11.8
91.05453	39.9
91.06005	1.7
93.03365	1.7
93.07024	25.9
95.04953	13.5
95.08594	15.2
97.02872	7.7
97.06509	1.4
97.10162	10.1
100.73567	0.9
105.07014	25.8
107.04937	27.5
107.08584	19.9
109.02860	19.7
109.06499	29.7
109.10144	6.0
111.08085	2.1
114.36738	0.9
115.05438	5.9
117.07006	22.3
119.04955	1.5
119.08545	21.2
121.02863	4.4
121.06490	9.2
121.10090	2.2
123.04411	4.9
123.08064	5.3
125.09597	6.8
128.06230	2.1
129.06985	5.2
131.04900	1.5
131.08534	11.9
132.05653	1.0
133.06476	3.7
133.10103	16.1
135.04422	1.5
135.08015	26.2
135.08951	1.3
137.05896	3.4
137.09628	5.5
138.06346	1.2
141.07004	1.7
143.08560	6.3
145.06483	8.2
145.10091	8.5
147.07004	1.0
147.08060	5.1
147.11679	1.3
147.88242	1.1
149.09622	2.4
151.11179	3.5
153.09113	4.6
155.08549	1.3
157.10117	2.1
159.08008	9.6
159.11702	4.3
161.09569	11.2
163.07497	11.9
163.11200	1.9
165.09145	1.6
169.10138	3.9
171.08015	1.7
173.09581	3.5
177.09161	1.2
179.10625	12.7
180.67514	0.9
183.11717	1.2
187.11197	1.3
189.09096	5.1
191.10622	1.8
207.10109	2.3
213.11176	1.2
225.11131	1.3
243.17390	13.8
253.15886	1.8
261.18420	11.0
271.16931	7.3
289.17935	47.5
289.21194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
54.28217	3.8
54.82095	5.0
55.05498	32.8
57.03429	9.3
57.07085	4.5
62.91466	4.8
67.05495	51.0
69.07056	22.9
69.30428	4.3
70.50298	4.6
79.05477	64.6
81.07048	52.6
85.36232	5.2
90.25952	4.3
91.05463	66.7
91.77966	4.6
93.07034	33.5
95.04961	74.7
95.08602	10.8
97.06509	27.5
98.34331	4.7
105.07020	100.0
107.04952	7.5
107.08582	12.3
109.06494	6.7
115.05438	9.5
117.07013	33.5
119.08569	86.6
121.10120	11.1
124.92132	4.8
128.06232	45.7
129.07001	52.6
130.07771	10.9
131.08533	44.7
133.10112	90.3
135.07973	6.2
141.07002	27.9
142.07768	46.5
143.08553	93.3
144.09358	10.4
145.06512	8.6
145.10118	28.7
147.11620	7.8
153.07033	21.5
154.07790	21.8
155.08545	31.4
156.09317	28.4
157.10149	36.0
157.26021	5.2
158.10889	24.2
159.08011	8.1
159.11671	26.2
161.09587	9.6
165.06976	26.3
166.07716	5.9
167.08501	63.8
168.09395	10.3
169.10114	49.6
171.11688	19.8
173.13290	11.4
179.08514	35.8
180.09320	9.2
181.10098	30.6
182.10851	58.2
183.11606	17.8
184.12466	8.3
187.11206	7.2
189.07076	5.0
192.09407	11.7
193.10178	41.6
194.10812	22.9
195.11731	25.8
196.12454	7.5
197.13232	36.0
204.75266	5.5
205.10143	8.3
206.10901	19.0
207.11562	38.7
208.12509	31.7
209.13257	31.7
217.10213	6.3
218.10890	6.7
219.11682	12.2
220.12442	6.5
221.13217	25.1
222.14058	9.9
223.14827	11.4
229.10085	22.9
231.11736	6.4
233.13263	28.1
234.14075	5.3
235.14743	7.8
243.08978	34.2
244.12415	8.2
245.13251	8.1
247.14851	6.3
248.15591	6.1
259.14807	22.8
261.03101	8.0
261.10132	19.4
274.17105	7.7
307.20447	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
53.75882	2.1
55.01868	30.1
55.05507	34.2
57.03424	5.6
57.07068	5.1
65.03951	2.9
67.05491	48.7
69.03414	2.7
69.07061	24.2
70.24691	2.1
70.56572	2.0
71.04974	2.7
71.08619	4.0
72.04517	2.3
77.33126	2.6
79.05482	46.7
80.75774	2.5
81.03362	3.5
81.07043	96.7
81.21368	2.2
83.04951	25.1
83.08615	10.5
85.06526	5.6
90.29939	2.0
91.05460	47.4
93.07029	37.6
95.04955	36.1
95.08590	31.3
97.06482	3.2
105.07013	44.2
107.04958	4.9
107.08581	36.5
109.06503	70.3
109.10140	35.9
113.05988	2.6
113.07489	2.3
117.06983	13.0
119.08577	17.4
121.06480	16.4
121.10132	10.6
123.08060	3.9
129.07057	3.4
131.08563	17.4
133.06502	3.1
133.10133	30.7
134.75114	2.8
135.08028	10.9
137.09549	2.8
145.10127	10.8
147.08058	4.2
147.11714	3.3
149.09604	5.4
151.11172	5.5
159.08055	5.3
159.11696	3.5
161.09596	9.3
163.07614	3.1
163.11082	4.1
165.12721	100.0
177.12679	4.0
178.39825	2.2
191.14250	2.5
261.03040	10.2
261.18112	2.8
261.22318	5.5
271.16864	29.1
289.17938	32.0
289.21591	20.0
307.19006	12.1
307.22568	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
51.87909	1.0
53.03936	2.3
54.82282	1.0
55.01861	17.8
55.05507	100.0
56.93616	1.0
57.03428	2.8
57.07071	1.3
63.70280	1.0
67.05495	45.4
69.03423	6.7
69.07055	18.5
70.78357	1.1
71.04971	2.7
79.05473	64.9
81.03400	3.1
81.06593	2.6
81.07043	55.2
82.22570	1.2
82.37706	1.6
83.03354	1.2
83.04979	8.6
83.08601	30.2
85.51877	1.4
91.05461	36.2
93.07029	31.1
95.04934	10.1
95.08585	17.1
97.02863	2.2
97.06512	1.5
97.10152	42.6
100.23991	1.2
101.09592	1.9
105.07004	28.1
107.04936	27.1
107.08577	31.4
109.02839	5.5
109.06506	13.8
109.10117	9.1
111.04438	1.7
111.08064	2.1
115.05444	2.6
117.06995	15.3
118.45455	1.2
119.04911	1.8
119.08567	26.3
121.02854	2.2
121.06487	1.6
121.10098	5.2
123.04414	6.8
123.08024	1.9
125.09611	23.3
129.07042	2.5
131.08549	8.2
133.06470	5.0
133.10121	10.4
135.08040	20.1
135.11681	1.5
137.09601	7.2
141.06970	2.3
143.08554	1.9
145.06453	6.6
145.10118	7.8
147.08054	3.2
147.11696	2.9
149.09627	2.7
150.40919	1.2
151.07497	1.4
151.11116	1.5
153.09125	7.2
157.10104	2.3
159.08040	6.4
161.09592	2.9
163.07510	13.6
169.10092	2.7
173.09601	5.1
177.09106	5.8
179.10641	3.1
189.11212	6.2
217.72824	1.4
243.17458	9.7
253.15921	1.9
261.18491	9.2
271.16809	11.8
275.20135	5.5
289.17935	49.7
307.18964	2.2
307.22369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
54.19382	1.5
55.01875	19.3
55.05509	41.8
57.03434	100.0
57.07067	3.4
65.03945	3.0
67.05498	51.7
68.99805	1.8
69.03420	3.0
69.07062	12.7
71.04990	3.5
79.05482	39.5
79.16905	1.6
81.03433	4.1
81.07046	47.7
83.04971	80.9
83.08620	4.2
85.06542	4.1
91.05467	56.2
93.07035	37.5
95.04955	18.5
95.08591	38.0
97.06531	7.1
97.10144	2.3
99.04429	8.7
103.05428	2.7
105.04503	2.1
105.07015	41.5
107.04945	75.5
107.08589	30.0
109.06496	31.1
109.10148	10.7
111.04435	37.4
111.08041	3.1
113.06035	3.0
115.05408	4.0
116.06228	2.9
117.06991	25.5
119.08574	24.3
121.06499	17.7
121.10133	7.9
123.08070	2.2
125.05979	4.2
128.06219	4.3
129.07001	11.5
130.58127	1.8
131.08551	26.8
133.06491	9.9
133.10130	8.5
135.08044	25.2
135.11688	8.2
135.45821	1.9
137.05962	23.7
137.09576	9.6
138.06294	10.7
141.06996	2.5
143.08542	4.3
145.06424	7.3
145.10162	16.9
147.08044	11.7
147.11649	7.2
149.05995	10.7
149.09660	3.2
151.07526	3.6
155.08575	7.3
157.10117	9.9
159.08017	9.9
159.11687	3.8
161.09630	9.9
163.07558	8.7
163.11134	10.0
165.12729	3.2
169.10156	3.0
171.11627	4.5
173.09639	7.2
173.13284	2.5
177.09081	2.4
177.12680	13.8
187.14841	2.8
189.09140	2.9
189.12683	3.2
197.13257	2.5
199.11240	2.2
205.15848	6.9
215.14281	10.6
233.15324	25.5
243.17429	8.4
253.15799	3.3
261.02945	8.6
261.18478	20.4
271.16943	12.1
275.20047	2.0
289.17929	58.9
289.21140	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03937	4.1
55.01870	24.1
55.05508	84.6
57.03431	100.0
65.03929	3.8
67.05496	64.1
69.03415	2.9
69.07066	21.7
71.04994	2.1
73.68893	2.4
73.99509	2.5
79.05480	92.2
81.03403	11.3
81.07051	42.7
83.05000	8.5
83.08611	24.7
85.06491	2.5
89.11411	2.1
91.05479	41.3
92.09327	5.7
93.07035	28.1
95.04976	22.0
95.08601	12.7
97.06548	3.0
97.10144	37.7
105.07021	32.2
107.04958	44.7
107.08581	39.3
109.06493	19.9
109.10136	17.5
115.05434	4.1
117.06998	22.8
119.08565	29.4
121.06490	15.1
121.10153	10.8
125.09619	19.9
128.06183	3.6
129.07016	12.6
130.13171	2.5
131.04924	3.7
131.08571	14.8
132.84439	2.1
133.06490	3.1
133.10164	3.7
135.08032	29.3
136.99187	2.4
137.09627	2.7
142.07870	3.8
143.08588	3.4
145.06537	4.9
145.10124	11.6
147.08051	3.9
153.09111	14.0
155.08582	4.8
157.10117	4.4
159.08038	61.7
159.11726	3.4
160.08847	4.2
163.07550	11.3
169.10194	4.4
171.11588	3.4
173.09578	5.8
173.13263	3.5
177.09129	4.6
181.10115	3.0
183.11858	2.7
185.09665	3.9
187.14748	9.8
189.11235	5.3
193.12057	2.9
194.88298	2.5
197.13293	3.6
206.10915	2.8
215.14369	5.9
233.15376	20.4
253.15877	5.8
261.02979	4.7
271.16885	33.7
289.17929	98.5
302.73456	2.7
324.72614	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	307.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.01861	12.1
55.05504	100.0
56.96546	2.3
57.03421	8.2
67.05495	35.2
69.03411	8.7
69.07059	17.3
71.04951	2.6
74.54431	1.8
79.05470	58.7
81.03390	3.9
81.07034	40.8
83.04955	11.8
83.08607	41.4
91.05455	75.1
93.07023	36.9
95.04948	33.7
95.08592	8.6
96.22102	1.7
97.06510	10.3
97.10146	52.5
103.05458	3.8
105.07016	51.6
107.04958	3.8
107.08578	30.5
109.06506	11.5
109.10143	4.7
115.05435	16.1
117.07001	36.8
119.08566	64.8
121.06477	13.4
121.10106	4.2
125.09606	35.3
128.06192	22.8
129.06969	19.2
130.07748	2.6
131.08562	22.5
133.10106	47.7
135.08041	11.0
141.06960	10.7
142.07796	19.9
143.08542	34.2
143.10655	2.8
144.09309	7.9
145.06491	13.5
145.10074	15.7
147.08028	9.6
147.11624	3.2
153.06966	7.8
153.09073	2.4
154.07742	9.7
155.08542	15.5
156.09305	14.5
157.10086	18.0
158.10904	7.6
159.08017	15.9
159.11664	9.7
161.09596	3.6
163.07530	3.4
165.06924	3.7
166.07765	2.8
167.08536	26.9
168.09358	4.7
169.10100	24.6
171.11687	4.4
173.09543	3.5
173.13290	3.8
179.08542	16.4
180.09297	2.7
181.10094	17.5
182.10892	19.7
183.11682	11.6
189.11176	25.4
191.08540	2.2
192.09311	4.9
193.10036	16.6
194.10887	11.3
195.11655	14.7
196.12505	4.9
197.13228	15.6
203.08452	3.0
205.10188	4.7
206.10840	11.0
207.11644	11.4
208.12460	7.5
209.13190	13.1
210.13939	2.7
219.11697	8.6
220.12375	4.3
221.13205	12.2
222.13943	2.3
223.14851	4.1
231.11679	2.4
233.13234	7.4
235.14760	7.8
240.09776	2.3
243.17439	2.5
244.12346	2.7
248.15630	2.9
259.14786	8.6
261.18518	3.2
263.17862	4.4
271.16901	19.0
273.84122	2.1
274.17032	2.4
289.17816	25.4
307.20392	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	307.1287
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03943	0.9
55.01866	1.5
57.03427	1.6
69.03429	1.1
79.05450	1.4
81.03397	1.8
94.06512	1.1
98.06060	1.1
107.08575	1.1
108.04425	1.0
112.10477	0.8
117.03339	1.3
122.06013	4.5
135.04404	5.1
135.08057	5.4
138.05405	1.2
139.04041	0.9
140.07062	1.9
145.02837	1.5
156.07962	1.1
160.07573	2.1
163.03873	12.6
163.08649	1.6
168.06503	1.6
173.07048	0.9
173.10670	0.9
174.09123	3.7
176.06934	1.2
177.10316	1.6
178.08609	23.8
187.08640	1.6
188.07072	4.2
189.10291	1.0
198.09109	1.5
201.10211	5.5
202.08635	8.5
205.09727	5.3
206.08052	1.5
212.07013	1.0
215.11763	1.1
216.10294	6.6
219.11259	8.0
220.09706	2.2
226.08644	3.7
229.09784	8.2
230.08092	6.0
243.11299	1.6
244.09689	6.0
247.10707	16.1
248.09161	1.1
262.10522	1.3
265.11813	20.9
271.10764	2.3
289.11777	23.0
290.10001	1.2
307.12851	100.0
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
53.67773	0.3
54.17924	0.4
55.05498	0.4
56.05031	3.2
56.05275	0.3
56.58255	0.4
57.03427	0.7
58.06592	5.2
59.86707	0.4
65.85081	0.4
67.45420	0.5
69.03410	0.7
70.06562	0.7
73.69088	0.4
75.15889	0.4
84.04494	31.2
84.08131	100.0
85.02884	0.9
86.06061	7.2
86.09692	7.2
88.03974	2.4
89.97718	0.4
91.74292	0.4
92.63772	0.6
94.14102	0.4
97.02891	1.1
98.09707	0.4
99.08058	3.2
123.08104	0.5
127.03889	0.7
127.07542	3.6
130.08626	0.7
131.01617	1.0
141.13834	9.7
145.08624	0.6
154.72504	0.4
169.13347	11.5
176.93628	0.4
187.09859	0.5
191.78288	0.4
197.97397	0.4
198.11252	1.0
215.13885	30.4
243.16992	24.2
243.19508	0.8
255.80824	0.5
262.11121	1.9
307.16791	14.2
313.27704	0.5
322.91739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02945	0.4
58.56471	0.4
60.73797	0.4
64.37469	0.4
69.07053	0.6
79.05457	0.7
93.06983	0.4
93.46362	0.4
94.04186	2.1
100.58784	0.6
104.47275	0.4
105.02768	0.4
107.08592	0.5
122.03628	8.9
135.11678	0.7
137.05962	100.0
182.15398	1.0
248.08864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77765	0.7
55.05508	1.0
56.05029	9.2
56.96581	0.9
57.06822	0.9
57.07062	8.5
58.06587	10.5
60.04507	4.2
61.73229	0.8
62.06068	0.9
70.06588	1.0
71.08612	1.3
72.08147	4.0
74.06064	7.0
82.27612	0.8
85.10163	1.7
86.06061	7.7
88.07614	65.5
100.07591	1.9
102.09190	0.9
104.07082	5.0
105.10422	0.8
110.25948	0.8
118.08599	1.8
120.45950	0.8
132.10194	17.9
156.79790	0.9
161.02190	0.8
162.11235	3.9
166.10675	3.3
180.37604	0.8
200.20071	1.0
214.21638	66.1
226.21574	1.7
258.24222	20.3
288.25281	3.5
306.26343	100.0
314.06912	0.8
322.60001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90494	0.8
53.03941	1.4
53.07859	0.8
55.05494	1.2
56.96533	0.9
57.03439	1.1
57.25578	0.9
60.69749	0.8
66.25851	0.8
67.01838	1.8
67.05491	2.0
68.99763	1.8
69.03406	1.9
69.07069	0.9
70.84415	0.9
71.01317	2.2
74.27502	0.8
75.10720	1.0
79.05459	1.7
81.03410	9.9
81.07041	4.5
85.02893	23.7
85.06526	9.1
93.06995	1.0
95.04941	1.3
97.06519	1.9
98.97568	1.3
99.04480	1.0
107.04952	2.3
109.02869	2.0
109.06559	1.5
113.02340	3.9
115.07567	1.9
123.04413	22.4
127.03899	100.0
127.07575	7.8
129.64888	1.1
131.04927	2.0
135.03375	1.1
135.04402	32.6
139.03893	9.2
145.04942	1.5
145.08554	3.9
149.02307	1.1
155.03381	60.1
159.04404	2.2
163.02660	1.7
163.03896	25.0
167.03354	1.1
167.06955	2.3
169.06393	1.4
173.05904	1.3
177.05345	1.9
186.01836	1.1
187.03795	7.3
188.92282	0.9
197.05978	2.1
201.05508	1.8
203.06956	1.4
243.06445	4.1
271.05862	7.5
278.09055	1.2
289.06931	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	305.211
Annotation	Agallochin I
Peak:m/z	Relative Intensity
50.40482	3.7
55.05507	38.7
58.06587	5.9
59.04982	38.7
65.03928	4.2
66.87307	4.2
67.05491	24.4
69.07056	9.5
71.58681	4.1
72.28474	4.3
72.34537	4.5
72.42690	5.1
79.05486	32.8
81.07040	28.4
82.05215	4.2
83.04973	21.4
83.08575	6.5
85.06528	40.6
90.67164	4.4
91.05461	100.0
93.07049	47.8
93.07542	5.6
95.04967	11.8
95.08607	19.2
105.07036	63.3
105.33672	5.1
107.08571	36.0
109.06520	35.4
109.10128	8.1
115.40728	5.3
117.06963	9.9
118.46086	4.6
119.06097	4.9
119.08568	30.7
121.10120	41.9
123.08046	47.6
125.09597	10.6
126.24693	5.2
130.07777	9.3
131.08574	28.5
133.06488	20.9
133.10086	7.2
135.08032	19.2
136.83118	4.8
138.07738	5.4
142.07758	6.3
143.08588	12.2
145.10094	11.9
147.11673	7.2
149.09602	34.2
150.10402	25.1
151.11186	10.2
155.08546	6.4
156.09328	10.9
157.10150	12.2
159.11703	5.8
165.09119	11.5
167.08412	6.4
167.10674	20.5
171.11588	9.6
173.13306	10.8
175.11110	5.0
181.10178	6.1
195.11696	7.1
197.13211	7.3
205.12294	11.1
215.14272	5.8
237.16354	5.2
255.17052	6.7
287.20026	37.3
305.20944	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19795	0.7
54.81708	0.9
57.07068	100.0
58.79945	0.8
59.52616	0.9
59.99102	11.4
59.99357	1.4
73.22868	0.8
73.50712	0.8
76.14127	0.9
85.53057	0.9
86.06059	14.2
90.20650	0.8
102.03721	1.4
106.06535	70.3
116.05303	17.3
123.88177	0.9
145.04314	8.5
201.10542	28.0
208.05342	4.1
250.09718	1.0
263.23407	0.9
306.16296	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52888	3.2
55.01862	4.8
55.05501	20.8
56.96554	17.8
57.03431	6.9
57.07057	6.9
58.28050	2.6
59.04990	4.0
63.80122	3.2
67.05498	37.4
69.03402	6.5
69.07054	17.5
70.06560	5.3
71.04958	4.1
79.05480	31.0
81.07022	31.4
83.04965	14.1
83.08611	4.2
83.17621	3.8
91.05457	68.2
93.07026	100.0
95.04933	21.4
95.08572	46.8
97.02853	4.4
97.06527	3.7
105.07018	55.8
107.08565	32.8
109.06509	6.4
109.10140	20.2
116.98615	8.7
117.07009	19.2
119.08565	40.4
121.06503	7.7
121.10133	73.3
123.08050	8.0
129.06961	15.9
130.07674	3.7
131.00229	3.4
131.08548	43.5
133.10153	14.8
135.08112	3.9
142.07780	7.1
143.08548	20.3
145.10121	35.1
147.08069	4.4
147.11685	15.3
149.01221	8.4
149.09567	35.0
149.13234	4.5
155.08568	5.2
156.09309	6.9
157.10097	37.4
158.10851	8.1
159.11627	45.0
161.09592	6.0
165.09050	4.6
167.10611	5.5
167.86690	3.9
169.10092	7.2
170.10823	4.9
171.11693	20.5
173.13235	28.5
177.12749	6.1
183.11685	4.9
185.13222	16.3
187.14792	4.0
211.14745	3.9
213.12842	5.8
213.16367	5.3
215.17723	4.1
241.19618	5.4
242.24765	4.1
243.24921	4.1
259.20505	4.6
269.18866	6.2
287.19955	16.2
304.28452	4.5
305.13193	5.3
305.20929	8.6
305.28653	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	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30680	0.6
53.00288	0.5
54.69479	0.5
55.01879	0.6
55.05506	1.2
56.05029	17.1
56.29016	0.5
57.07067	20.8
58.06591	7.8
60.04504	0.9
60.75357	0.6
65.03939	1.0
67.05488	1.5
68.05030	0.7
69.07072	6.8
71.08627	8.5
74.06061	12.2
79.05463	3.2
81.07032	2.5
85.10159	3.7
86.06021	1.2
88.07623	1.3
91.05451	2.7
92.04973	1.0
93.03377	1.6
93.07008	3.3
95.08567	1.2
97.06503	2.8
104.07074	0.6
105.06970	0.7
107.04988	0.8
107.08583	2.8
109.05247	1.2
109.10161	0.8
110.03636	10.2
111.04414	6.0
113.05949	0.7
118.08638	4.8
118.82813	0.7
120.04482	1.2
122.08124	14.7
124.07560	4.1
125.05964	16.0
135.11671	1.2
137.04710	8.9
137.05931	8.0
152.07045	100.0
198.38043	0.7
256.26218	1.4
268.11722	0.6
304.19089	1.6
304.28424	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	305.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05502	8.8
57.03428	6.7
57.07074	4.2
57.10196	0.8
58.41017	0.7
58.99587	7.4
61.01135	6.9
62.99067	5.1
67.05497	29.0
69.07074	7.1
71.04971	1.7
71.08621	13.0
76.02214	50.7
76.03984	2.0
77.00614	1.8
79.05470	7.6
81.07027	7.5
81.18481	0.9
83.08598	3.8
85.06518	1.0
86.99045	4.0
87.02666	1.3
88.02212	3.6
89.00603	24.4
91.02192	1.1
91.05466	1.5
92.09293	1.8
93.07072	0.8
93.72276	0.8
95.08585	2.1
97.10178	5.9
98.97540	1.4
99.02666	1.1
99.08081	6.1
103.02081	1.0
105.07028	1.1
107.08553	6.6
109.10146	19.5
116.01666	12.8
126.12782	5.2
127.11175	22.0
130.05006	1.1
133.10161	0.9
137.06000	1.0
141.07356	1.0
141.27437	0.9
142.07910	1.0
144.01172	5.2
159.08369	100.0
162.02170	14.3
179.04828	17.4
184.11572	4.0
202.12541	1.3
249.23721	0.8
287.14182	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	304.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51046	1.2
55.01846	1.4
55.35731	1.4
57.07071	19.1
58.06585	1.9
62.45760	1.4
69.07044	2.4
70.06583	32.7
71.08611	6.8
76.24187	1.4
78.30299	1.5
79.10590	1.4
87.04447	6.0
88.07616	40.0
92.09338	4.7
99.42372	1.8
102.09158	24.4
130.44659	1.4
149.12819	1.5
157.44629	1.6
196.86656	1.7
202.50688	1.5
242.24745	66.7
249.43164	1.7
250.92384	1.6
286.27328	3.1
304.24988	3.5
304.28427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73587	0.7
54.81887	0.8
55.05501	1.5
56.05031	22.9
57.07070	22.5
57.33804	0.8
58.06592	11.4
60.04514	4.9
65.79369	0.8
67.09220	0.9
68.05019	0.9
69.07072	2.9
71.08614	8.0
74.06067	17.8
79.43491	0.8
81.93710	0.9
85.10172	1.7
86.06059	1.5
88.07615	78.8
93.50520	1.0
104.99244	1.6
118.08621	14.7
122.08124	10.9
149.68155	0.9
152.07025	2.0
177.44974	0.9
256.26294	58.3
286.27441	1.7
289.42261	0.9
292.01788	0.8
298.90506	0.8
304.28421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98322	0.9
54.81903	1.0
55.05510	1.9
56.96561	74.3
57.07055	1.4
64.90387	1.0
67.05512	1.2
69.07059	1.8
70.06593	2.4
71.95264	6.2
72.08153	1.6
74.97596	1.5
88.07617	2.4
95.08562	1.6
102.09188	1.7
106.06570	1.3
107.08592	1.3
110.97632	1.4
117.16815	1.1
123.01199	4.9
128.98561	1.8
137.02788	1.8
139.00642	2.5
141.02235	2.4
145.01747	1.5
146.99609	3.7
148.01076	1.3
151.00739	1.6
153.02229	6.9
155.03809	7.1
157.01712	6.1
159.03261	4.4
166.56558	1.1
167.03790	2.0
168.18350	1.1
169.01711	6.8
171.03256	27.1
173.04871	4.8
175.02779	1.9
181.05305	2.0
183.03293	5.7
185.04869	12.7
187.02777	4.4
188.80907	1.4
189.04330	13.2
189.05930	1.6
191.05783	1.4
197.04857	4.7
199.06378	11.0
201.04254	2.6
203.05875	18.9
207.07005	2.3
215.05910	4.3
217.07440	15.2
219.10532	1.5
225.07982	6.5
225.11639	1.4
227.09590	1.7
233.08411	2.1
235.10095	1.7
239.09439	1.6
241.07591	1.5
242.21088	1.5
242.24820	7.2
243.09084	2.6
245.08470	2.8
251.09561	8.0
253.11012	2.8
255.08975	1.5
263.09473	16.9
269.10510	5.7
281.10565	100.0
299.11624	82.9
304.12228	5.2
304.28461	7.1
322.13321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05510	1.6
56.96556	4.9
57.03428	7.1
58.03648	1.0
58.06597	2.0
60.04517	9.9
61.02913	5.0
69.03417	21.9
69.07058	66.5
71.04987	2.0
71.08241	2.2
71.08616	37.3
72.08139	1.4
73.02911	2.9
79.73560	1.1
81.03407	13.5
83.08620	1.3
84.04491	5.0
85.02895	75.0
86.02406	10.4
86.09660	1.1
91.05450	1.6
92.08733	1.5
95.04956	1.5
96.08119	6.5
97.02873	49.3
97.06520	7.8
98.97576	1.1
99.04444	5.4
103.03928	5.2
103.90141	1.3
109.02857	13.3
114.09143	32.0
116.98567	1.3
123.04422	6.7
127.03893	11.5
137.02335	5.3
137.05951	6.3
138.09096	6.5
142.08623	100.0
143.62527	1.1
145.04964	5.4
150.96895	1.9
151.91969	1.1
156.10143	2.3
162.21007	1.1
165.05539	1.5
184.09665	61.2
184.11340	2.0
208.09679	13.9
250.10721	5.1
304.14172	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.81612	0.2
56.96557	0.2
58.06593	1.0
59.35486	0.2
61.38930	0.2
69.03416	0.9
69.07047	0.9
79.05493	0.4
81.03436	0.2
84.04497	0.2
85.02913	1.5
86.09695	2.7
87.10018	0.5
88.03908	0.2
95.04957	1.1
96.08146	0.2
97.02885	0.3
98.02412	0.3
98.06026	0.2
98.97575	0.2
104.27556	0.2
105.04448	0.3
107.04948	100.0
113.05943	0.3
116.98625	0.2
124.07578	0.4
132.50337	0.2
137.06032	0.2
141.05266	0.2
141.10220	0.4
142.05618	0.3
142.08641	0.3
145.28503	0.2
155.11755	0.3
170.26947	0.2
189.50905	0.2
190.06516	0.3
200.13998	0.5
201.14261	0.4
250.10181	0.2
303.10898	0.2
304.10925	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	304.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37867	0.5
51.36900	0.5
55.05496	4.3
55.33012	0.6
56.05011	0.9
56.96548	1.0
58.14663	0.6
67.05489	3.3
69.07043	1.0
70.06571	4.8
76.77334	0.6
79.05457	1.3
81.05792	0.9
81.07047	0.9
84.08150	0.7
86.09679	0.7
87.02676	68.2
91.05479	1.5
93.07026	0.8
95.08598	4.5
97.07633	20.2
98.97572	1.4
100.02798	0.8
102.45638	0.7
105.07014	0.8
106.06542	10.3
112.11229	3.9
113.05975	0.7
114.03761	1.2
116.05298	77.2
116.98612	2.6
119.08570	1.5
128.05302	6.9
129.07338	5.5
134.79085	0.6
137.05949	5.9
138.06281	3.3
143.06366	59.1
157.04318	0.9
177.00574	0.8
185.11044	100.0
262.10034	15.0
283.90753	0.8
287.39325	0.7
302.02164	0.6
304.14737	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
50.69728	4.7
51.46126	5.9
55.05506	15.5
57.07076	8.1
67.05494	58.4
67.87047	7.5
69.07058	16.0
71.10570	5.9
79.05463	42.0
81.07054	69.0
83.08643	6.6
83.15223	5.6
87.49013	6.2
89.24387	6.3
91.05483	77.9
92.08630	26.8
93.07021	38.7
95.08601	35.6
97.16673	6.1
99.15564	6.8
104.99266	8.5
105.07027	100.0
107.08583	15.2
109.10098	8.2
117.07005	31.3
119.08557	40.9
121.10133	9.1
129.06981	15.1
131.08556	60.0
133.10071	12.3
141.06906	11.2
145.10135	26.8
147.60965	6.0
157.10170	14.6
159.11636	8.5
169.09944	7.4
173.13327	6.8
183.11565	8.4
201.12836	7.3
205.50250	7.3
285.21967	9.3
302.30392	9.7
303.23169	44.3
303.30444	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	303.2316
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05507	19.3
57.07067	4.6
67.05139	2.7
67.05495	58.3
69.07062	14.4
71.04953	2.6
71.08613	3.1
79.05474	34.4
81.07039	52.0
83.08598	4.2
91.05462	100.0
93.07029	40.7
95.04945	2.9
95.08591	30.9
99.04577	1.8
103.05412	1.8
104.99271	3.9
105.06352	3.9
105.07011	57.2
107.08591	22.9
109.10128	9.1
110.88146	1.9
117.07003	49.1
119.08569	34.5
121.06467	2.9
121.10097	12.3
123.11681	3.2
128.06187	2.3
129.06978	25.2
131.08545	39.0
133.10080	17.1
135.08064	3.5
135.11700	4.0
141.06967	23.0
141.69080	1.9
143.08522	12.9
145.10112	34.3
147.08022	3.2
147.11664	10.7
149.09615	4.6
149.13223	2.2
155.08569	11.7
157.10114	11.2
159.08052	4.2
159.11688	11.9
161.09601	8.6
161.13240	8.1
163.14844	2.1
165.08966	2.2
169.10127	18.1
171.11594	3.8
172.95209	2.4
173.09630	4.3
173.13210	3.4
175.14778	9.7
183.11671	11.4
187.11136	8.4
187.14749	2.5
189.16333	4.3
197.13184	3.0
201.12729	13.5
201.16513	2.7
204.13782	2.2
211.14873	2.0
215.14308	2.3
219.13828	2.5
233.15347	2.4
243.21062	3.7
257.18878	3.1
267.21057	9.9
281.25427	2.0
285.22058	10.4
297.23029	2.3
303.23151	63.5
303.30710	4.6
320.63928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02364	0.1
54.81975	0.1
58.66127	0.1
65.03936	0.2
66.04700	0.5
67.82594	0.1
74.71475	0.1
79.05478	0.9
81.07043	0.7
84.17899	0.1
85.05965	0.1
91.05464	0.8
93.07084	0.1
94.04169	3.5
95.04942	0.2
105.03393	0.1
107.04929	0.4
108.39803	0.1
109.06516	0.2
121.06483	0.2
122.03628	12.0
131.87439	0.1
135.04349	0.2
137.05960	100.0
138.06340	0.1
147.04378	0.5
149.05933	0.2
151.07578	0.2
152.06212	0.5
153.06995	1.5
165.06935	0.2
169.06563	0.1
181.06483	1.7
182.07147	0.1
195.08037	0.2
198.06729	0.1
209.06013	0.1
210.06708	0.1
213.09108	0.7
223.07407	0.1
225.09109	0.4
241.08537	0.6
253.08621	0.1
258.08826	0.2
273.11118	0.5
285.11230	0.1
294.17377	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28214	0.1
51.02376	0.1
51.55047	0.1
51.64038	0.1
53.03936	0.1
55.01841	0.1
55.05503	0.1
56.63913	0.1
58.59437	0.1
59.26852	0.1
65.03922	0.2
66.04709	0.4
67.05479	0.1
70.76854	0.1
77.03905	0.1
79.05482	0.8
81.07025	0.5
91.05461	1.0
93.07020	0.2
94.04168	3.5
95.04966	0.2
99.95979	0.1
105.03381	0.1
105.75424	0.1
107.04951	0.5
109.06509	0.2
111.04437	0.2
119.04922	0.2
121.06487	0.5
122.03626	12.2
135.04356	0.2
137.05959	100.0
138.06284	0.1
147.04404	0.5
149.05971	0.5
151.07516	0.2
152.06168	0.4
153.06973	1.7
154.52112	0.1
158.48260	0.1
161.05911	0.1
165.06972	0.2
170.07239	0.2
181.06439	1.8
182.07294	0.2
198.06749	0.1
202.05838	0.1
209.06001	0.4
210.06815	0.2
213.09041	0.8
225.09019	0.2
241.08554	0.4
253.08609	0.4
257.12637	0.1
258.08868	0.1
273.11151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.38176	0.1
55.01839	0.2
60.62233	0.1
60.76726	0.2
65.05594	0.2
66.04698	0.2
67.05477	0.3
79.05472	0.4
81.07023	0.7
86.09707	0.3
91.05479	1.3
94.04169	3.4
95.04928	1.1
95.08596	0.2
97.02887	0.2
107.04941	0.9
109.06484	0.3
111.05560	0.3
115.68333	0.2
119.04901	0.7
121.06445	0.2
121.42207	0.2
122.03625	12.0
123.04428	0.7
135.04402	0.3
137.05962	100.0
138.06317	0.2
147.04402	1.2
149.05952	0.3
153.06955	1.6
157.06209	0.2
157.25447	0.2
165.05489	0.4
165.06897	0.2
181.06468	1.7
193.08617	0.2
198.06721	0.3
200.34413	0.2
209.05937	0.2
213.09146	0.8
225.09094	0.2
241.08513	0.8
253.08601	0.3
273.11288	0.3
285.11234	0.2
303.13904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
55.01857	0.2
56.15329	0.1
64.88315	0.1
65.03912	0.1
66.04696	0.2
67.05483	0.1
67.58769	0.1
69.07055	0.1
70.36096	0.1
71.22576	0.1
74.05753	0.1
79.05472	0.7
81.07035	0.6
81.62872	0.1
83.97497	0.1
84.96562	0.1
91.05458	0.9
92.08730	0.1
93.07018	0.1
94.04161	2.9
95.04940	0.2
95.08575	0.1
98.97549	0.2
100.95360	0.1
105.03394	0.1
105.07019	0.1
107.04900	0.2
109.06554	0.1
112.51225	0.1
119.04951	0.1
119.08585	0.1
119.86116	0.1
121.06499	0.2
122.03624	10.5
135.04387	0.1
137.05959	100.0
147.04408	0.1
151.07494	0.1
153.07002	0.9
165.06990	0.2
166.07903	0.1
167.41707	0.1
179.03488	0.1
181.06441	0.8
197.05901	0.1
209.06009	0.1
213.09094	0.4
241.08511	0.3
246.34474	0.1
253.23607	0.1
273.11465	0.2
301.85291	0.1
303.05350	0.2
303.08521	1.3
303.19437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09610	0.3
58.46656	0.2
59.56510	0.2
69.12305	0.2
71.31320	0.2
79.34046	0.3
98.97562	5.7
101.00845	1.8
116.98612	3.7
119.01069	0.4
119.01898	8.7
120.01993	1.1
134.99658	2.5
137.02911	3.7
153.00766	0.3
156.07759	0.3
158.99828	0.6
163.39804	0.3
169.80875	0.3
172.50597	0.3
175.03067	0.4
177.00914	20.5
178.01009	5.8
178.52554	0.3
182.99817	0.4
186.85132	0.3
193.04102	0.4
195.01952	0.4
201.00893	0.7
202.00931	0.4
217.04044	4.4
218.04099	1.5
219.01964	31.0
220.02089	10.2
221.01601	0.3
225.00839	1.7
226.01028	0.4
242.03438	0.3
242.99338	0.4
243.01886	5.1
244.02071	1.2
261.02991	100.0
262.03128	34.5
263.03299	0.4
279.00488	2.6
280.00821	1.1
284.04544	0.6
284.99762	0.4
285.04688	0.5
302.05627	1.1
303.00784	1.5
303.06134	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01852	0.7
60.89192	0.4
65.03924	0.4
67.05487	0.8
68.15573	0.4
68.99770	3.9
69.03400	0.4
81.03381	0.8
84.78869	0.4
91.05424	0.5
93.03381	1.7
95.04932	1.7
95.08612	0.5
103.85831	0.4
107.04906	0.5
107.45360	0.4
109.02856	0.9
110.03638	0.4
111.00778	4.2
121.02857	4.0
123.04407	0.6
127.03843	0.7
131.04941	0.4
135.04388	0.6
137.02324	12.8
137.03333	0.8
137.05966	5.8
145.06480	1.8
149.02298	0.5
153.01813	17.0
155.04919	1.7
159.04390	0.6
161.06015	1.6
163.03867	2.6
165.01782	6.2
166.02534	0.8
173.05949	1.7
183.02863	3.2
183.04439	1.6
187.03853	0.7
191.03445	0.7
195.02798	0.5
201.05441	8.6
205.04979	0.6
219.06496	0.6
228.04326	0.6
229.04927	14.7
247.05942	1.9
257.04398	7.5
274.04623	2.1
275.05304	0.6
285.03952	4.1
303.04929	100.0
303.25809	0.5
304.05161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.175
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
51.69665	0.3
55.58712	0.3
57.80704	0.3
67.05481	1.9
76.45532	0.4
76.78471	0.4
79.05448	0.9
81.07027	0.7
88.86716	0.4
90.96783	0.5
91.05446	2.3
96.08105	1.9
98.86711	0.4
100.46461	0.4
105.07008	2.2
107.08521	0.4
112.13510	0.4
115.05443	0.9
117.06238	0.8
117.07004	17.2
119.08546	10.2
129.06966	0.9
130.07713	1.5
131.08521	1.8
133.06436	0.6
136.07568	0.6
140.15567	0.4
141.06966	0.4
143.08559	5.2
145.06506	3.2
145.08942	0.7
145.10103	7.5
147.08043	2.8
155.08549	6.5
157.08836	0.6
157.10049	1.6
160.11166	2.1
167.08557	0.6
169.10138	0.8
171.07991	0.6
172.11121	0.5
173.05984	7.2
173.09624	0.5
179.08522	0.4
179.19405	0.4
182.10866	0.8
183.11684	1.8
188.10701	3.4
197.13286	3.5
207.11617	1.6
214.10875	0.4
214.15903	0.5
216.10173	100.0
225.09113	0.4
225.12723	3.1
227.14243	1.5
232.41066	0.4
242.15327	0.6
252.13647	0.5
253.12135	4.8
270.10568	0.5
270.14835	38.4
302.17456	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	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
50.65421	0.3
51.09087	0.3
53.87703	0.3
57.07069	13.1
61.22933	0.3
68.98756	0.5
70.06201	0.6
70.06579	17.0
71.08613	4.0
85.10161	0.8
88.07615	22.3
89.64654	0.4
92.08583	0.4
102.09148	6.2
106.08650	10.0
114.60295	0.5
200.66454	0.5
222.09250	0.4
233.34888	0.4
258.27841	0.7
284.29401	8.9
302.30475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01863	2.9
56.05026	0.6
57.03431	5.9
61.02916	11.2
61.11824	0.6
68.21076	0.6
69.03418	19.8
71.04977	3.2
73.02897	3.7
81.03404	9.0
81.91570	0.5
85.02891	100.0
87.04456	1.5
87.54973	0.6
91.03945	4.8
97.02870	24.2
98.97546	0.6
99.04424	3.6
101.43749	0.6
103.03969	0.7
105.07033	8.0
109.02857	8.8
115.03902	0.7
127.03894	16.4
137.05989	2.8
145.04950	28.9
163.03864	0.8
163.05971	6.4
168.04742	0.6
180.08679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1748
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
79.05518	0.5
81.07027	0.6
89.08112	0.6
91.05451	2.2
95.04984	0.6
96.08089	2.5
102.09048	0.6
105.07008	1.2
115.05434	1.2
117.07000	15.1
119.08554	9.4
131.08522	1.2
133.90814	0.7
136.07565	0.8
136.22874	0.6
143.08536	4.9
145.06476	2.8
145.09032	0.9
145.10101	6.6
147.08054	2.4
155.08556	6.3
157.10135	0.6
160.11212	1.4
169.10027	1.3
173.05972	5.7
173.08246	0.7
173.09586	0.9
181.10008	0.8
182.10872	0.7
183.11632	0.7
187.08252	0.5
188.10672	2.9
192.09285	0.9
197.13165	2.7
207.11673	0.7
216.10170	100.0
225.12633	2.3
241.84232	0.6
244.16292	0.6
253.12170	3.8
270.11948	1.2
270.14828	34.3
302.17456	70.0
308.83072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43307	2.4
52.92273	2.5
53.03948	3.8
55.05489	3.5
55.41427	2.6
57.03431	6.1
59.40585	2.9
61.02911	3.2
67.05496	15.0
69.03410	20.1
70.65224	3.0
72.08146	29.0
73.02909	4.1
74.72969	3.3
77.91964	2.8
79.05466	7.2
81.03389	6.6
81.07042	21.0
85.02898	82.3
86.09681	13.4
91.05495	3.1
95.04942	6.3
97.02874	47.2
103.03930	5.5
104.61546	3.0
105.72353	3.8
108.08098	25.2
109.02853	17.9
110.06029	3.5
113.94495	2.8
122.05985	11.0
125.05962	5.6
125.66073	2.8
126.05449	5.1
126.09121	4.6
127.03904	14.8
136.07571	35.6
137.02347	3.5
140.07042	44.6
145.04993	5.4
152.07010	30.3
154.08553	7.5
164.07024	40.3
178.08667	24.6
182.08107	100.0
196.25238	3.5
206.08069	40.7
218.08145	5.2
248.09151	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82207	0.8
55.01871	0.8
57.03422	5.0
58.47036	0.8
60.26657	0.7
60.33278	0.8
61.02904	5.2
64.00322	0.7
65.03916	1.8
67.05146	1.8
67.05496	53.7
69.03063	1.5
69.03416	27.1
69.07059	12.8
69.26131	0.8
71.04991	1.0
71.20528	0.7
71.64037	0.8
73.02896	1.6
73.19679	0.8
78.87420	0.9
81.03416	8.1
83.53118	0.9
84.08118	1.5
84.12807	0.9
85.02897	43.7
86.09648	1.1
88.95255	0.9
92.08691	1.2
94.06547	1.9
95.04950	81.5
96.08109	1.5
97.02876	41.5
98.26586	0.9
102.78482	0.9
103.03922	1.8
109.02853	10.1
112.07592	63.7
113.05965	9.7
122.05991	4.5
123.04403	3.4
124.07593	1.4
127.03889	5.4
136.07530	2.3
140.07054	100.0
142.35077	0.9
145.04903	1.3
154.08658	9.2
178.08636	4.3
182.08105	51.9
206.08107	13.0
218.08084	2.2
219.73482	1.0
236.09027	1.1
248.09219	7.3
302.12402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05500	9.5
57.07056	4.9
61.41384	4.7
67.05499	30.7
68.35136	4.3
69.07042	8.4
71.04988	5.1
79.05476	23.5
81.07049	40.9
83.93139	4.4
89.65741	4.8
91.05464	43.5
93.07024	33.8
95.04947	20.8
95.08592	24.7
105.07007	80.6
107.08574	53.5
109.06524	42.1
109.10158	32.1
117.06995	32.0
119.08551	100.0
121.06490	9.3
121.10110	24.8
129.06972	20.1
130.07741	9.6
131.08569	65.8
133.10133	48.9
135.08060	28.9
143.08559	39.3
144.09329	9.0
145.10094	75.5
147.11685	9.9
157.10083	11.5
158.10942	11.4
159.11710	19.8
161.09581	61.3
167.08530	6.4
171.11674	10.2
173.13239	85.7
175.14828	7.3
191.14310	11.5
195.71017	5.5
199.14870	6.2
209.13321	7.7
223.14688	7.3
288.98782	7.0
301.21579	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	302.0869
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
52.54324	0.1
52.54567	0.1
53.00301	0.1
53.03929	0.3
54.82285	0.2
55.01850	0.4
57.03420	1.0
59.35758	0.2
60.24278	0.1
61.02923	2.1
69.03079	0.2
69.03424	4.2
70.06587	0.2
71.04976	0.3
73.02891	0.7
75.33392	0.2
78.03435	0.7
81.03405	2.0
83.05003	0.1
85.02892	9.3
86.06052	0.2
87.04453	0.6
91.03949	0.2
97.02882	2.7
98.97570	0.2
99.04458	0.7
109.02858	0.3
118.05204	0.2
122.02355	0.7
122.06022	0.3
127.03907	0.8
135.06755	0.2
138.83330	0.2
140.03410	100.0
140.06998	2.0
141.03758	0.3
145.04967	0.6
146.46126	0.2
152.07045	0.2
166.11140	0.2
167.11368	0.2
193.03131	0.2
256.06366	0.3
302.08981	2.4
303.10507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0917
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
51.92032	0.5
53.03941	2.8
57.03429	0.8
59.57774	0.5
61.02915	1.1
65.03924	0.8
67.05485	0.9
69.03415	3.5
73.02911	3.1
81.03410	2.9
85.02898	12.1
95.04949	79.6
97.02891	3.3
98.97598	0.7
102.52135	0.6
105.04504	1.1
105.67075	0.5
109.02894	0.7
118.03393	0.5
121.02844	40.9
124.07613	2.3
126.09141	0.6
127.03898	0.8
128.04875	0.6
135.04376	0.6
139.03885	100.0
139.08665	1.2
145.04915	1.1
301.13168	8.3
301.16962	1.1
318.54437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58697	0.8
53.03933	1.8
54.81598	1.4
56.12734	1.0
65.03934	0.9
65.36344	1.0
69.03415	2.6
78.35187	1.0
81.03382	1.3
85.02889	11.4
91.03957	1.0
95.04951	80.3
97.02863	2.3
98.97591	1.4
120.86821	1.1
121.02847	41.1
137.02248	1.4
139.03883	100.0
139.08609	1.4
145.04956	1.8
148.89200	1.1
197.97040	1.2
238.48499	1.2
301.09351	2.7
301.12497	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
53.58244	4.9
55.05503	10.3
58.48508	4.6
60.12843	5.3
67.05495	72.8
69.07061	32.2
79.05485	8.3
81.07041	31.4
91.05479	11.7
93.07024	20.4
95.04950	23.5
95.08570	10.3
105.07034	11.9
107.08601	56.2
108.99773	5.0
109.06493	25.5
109.10142	100.0
117.47837	5.6
119.08548	45.8
121.06472	6.9
121.10127	10.2
122.07268	8.4
123.08064	11.5
128.42859	5.0
131.08601	4.6
133.10065	10.7
135.08043	43.1
137.09621	22.2
145.10115	6.6
157.10313	4.6
173.13295	5.7
176.63477	5.0
185.61082	5.6
191.14305	67.4
301.21512	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Koparin
Peak:m/z	Relative Intensity
54.81919	0.6
55.01846	0.5
56.96550	1.3
64.33538	0.6
67.01863	0.7
67.05489	1.2
68.99763	1.5
69.03393	0.6
69.07047	1.2
69.17923	0.5
79.05460	0.9
81.07030	1.4
85.02883	0.7
91.05453	0.9
93.07021	1.1
95.04940	0.8
95.08582	1.0
97.06483	1.1
98.97545	3.3
105.03404	0.9
105.06970	0.8
107.04881	0.8
109.10110	0.6
109.95370	0.6
115.05444	0.6
116.98585	1.5
121.02824	1.0
123.04382	0.7
124.01572	6.2
134.03619	14.7
135.04391	0.6
137.02309	0.8
149.02338	4.6
149.05968	0.8
152.01009	1.0
153.01810	40.1
157.06487	1.2
159.08195	0.7
163.03831	3.2
170.02037	6.7
175.03851	2.7
177.00688	0.8
179.03317	1.0
184.05246	0.9
185.05956	1.0
191.03378	0.8
197.05931	1.0
199.03735	0.8
201.05374	1.0
212.04692	0.6
213.05437	11.7
217.05099	1.0
227.03314	0.7
229.04878	9.9
230.05722	3.1
240.04132	2.9
241.04910	31.4
245.07997	5.8
257.04361	2.3
258.05157	9.8
268.03476	0.8
269.04401	23.3
273.07529	1.0
273.51428	0.6
285.03891	24.0
286.04675	35.8
286.25223	0.7
301.07013	100.0
314.60901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01872	0.7
56.20470	0.6
56.96546	0.7
61.02902	1.6
64.33089	0.6
65.03933	0.6
69.03421	3.5
72.27831	0.7
73.53499	0.7
81.03387	1.2
85.02895	12.1
95.04953	77.0
97.02876	3.6
98.97591	1.0
105.04536	0.9
109.65924	0.7
111.04375	0.8
121.02852	37.9
121.03825	1.3
121.04059	1.1
124.07572	1.0
125.07912	0.7
127.03914	1.6
130.56697	0.7
135.52390	0.6
137.02321	1.3
139.03886	100.0
139.08658	0.8
145.04961	2.5
149.21768	0.7
157.04904	0.7
197.36998	0.6
197.84503	0.6
213.97778	0.6
286.48959	0.7
301.09198	1.4
301.12479	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	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83167	0.3
56.96555	7.4
58.47332	0.3
71.95246	0.8
72.39151	0.3
73.52625	0.3
75.76890	0.3
79.38551	0.4
92.09246	0.4
96.72422	0.4
98.97563	100.0
116.98600	68.7
119.01903	0.4
134.99631	27.3
153.00691	3.9
155.07021	1.5
158.01160	0.5
161.06573	0.5
175.08102	0.6
176.08315	0.5
185.06548	0.6
190.06212	0.5
210.95630	0.4
220.02226	2.8
234.99675	0.7
240.98534	2.9
258.99698	29.1
277.00760	73.7
278.00873	0.4
294.98376	0.5
295.01813	0.7
299.09656	2.6
300.09885	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	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05506	0.5
64.33084	0.5
67.05511	0.8
69.03415	2.2
70.06636	0.4
71.04954	0.4
73.90011	0.5
77.03924	0.5
79.05483	0.6
81.07016	0.7
86.09697	1.1
89.03903	0.8
91.04946	1.1
91.05462	14.3
91.62704	0.5
93.07024	2.4
95.04960	3.2
95.08577	0.8
102.04662	0.9
103.05460	2.5
105.03406	1.1
105.07016	2.7
109.06499	1.0
111.04427	1.2
112.52272	0.6
115.05431	4.1
117.03375	3.5
117.07009	4.8
119.04919	30.5
119.08558	3.9
121.06524	2.3
121.80650	0.6
123.08046	2.2
123.15952	0.5
130.04137	3.9
131.04889	2.1
131.08517	1.0
133.01126	0.6
133.02794	3.9
133.06470	2.2
133.10150	0.7
134.42091	0.6
135.08052	3.3
137.02328	2.6
137.09569	0.5
138.02672	3.3
143.04909	2.9
143.08578	1.3
145.02838	10.3
145.06462	13.5
145.10107	2.0
146.03673	2.4
146.07259	0.7
147.04390	27.9
147.08043	2.3
147.11674	0.9
148.05194	3.0
149.05991	2.2
156.56999	0.5
157.03999	3.6
157.10126	0.5
158.03584	13.6
159.04338	0.7
159.08076	1.4
159.11632	1.2
160.05209	0.8
161.02309	3.3
161.05943	5.3
161.09657	0.9
162.03085	1.0
163.03857	1.1
165.09024	0.9
172.08800	0.6
173.05948	34.8
173.09573	0.6
175.03871	44.1
175.07545	2.9
175.11124	2.1
176.04649	11.6
177.05473	5.6
179.03288	0.8
186.03050	4.2
187.11255	2.2
191.07034	2.2
193.04977	2.3
194.05713	2.0
195.06509	1.2
199.11092	1.2
201.05435	100.0
203.10733	1.0
217.04851	0.6
217.12271	0.7
219.06485	61.8
229.12268	1.1
237.07529	10.9
247.13293	3.2
265.06998	17.1
265.14310	10.2
283.08081	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	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03945	4.5
54.81750	3.9
55.01858	27.4
55.05502	25.1
57.03424	5.0
57.07061	4.3
59.46604	4.1
65.03910	5.9
67.05495	64.7
69.07044	17.9
79.05476	86.8
81.07046	55.6
83.04952	24.1
91.05470	93.1
93.07023	85.5
94.47421	5.2
95.04952	25.3
95.08597	48.5
97.06499	20.3
98.97577	9.5
105.07015	91.5
107.04951	10.6
107.08593	30.8
109.06490	8.1
115.05436	5.1
117.07000	54.6
119.08569	42.5
121.06480	27.8
121.10137	21.5
123.08073	19.1
128.06221	10.5
128.41855	4.9
129.07013	52.0
130.07727	5.8
131.08534	79.9
133.06516	25.9
133.10080	47.1
141.06985	28.0
142.07759	9.8
143.08534	38.3
145.06459	21.1
145.10114	29.3
147.08005	10.8
147.11673	10.4
149.09630	21.5
154.07774	7.9
155.08543	42.9
157.10115	27.0
159.08044	31.1
159.11641	8.4
161.09578	10.9
163.11118	5.7
167.08522	5.4
168.09247	5.7
169.10083	36.7
171.11705	49.6
173.09633	9.0
175.11166	6.2
181.10083	5.8
183.11678	24.4
185.13165	8.9
187.11218	10.6
187.14836	9.9
189.12741	6.4
193.10104	7.5
195.06480	5.5
195.11589	7.9
197.13297	33.8
199.14828	5.8
201.12665	6.5
205.12077	5.2
215.14293	57.9
221.13361	5.6
225.12830	5.7
228.77858	5.2
239.17961	6.8
253.19415	7.1
263.17911	8.8
277.21942	5.4
281.18961	36.8
299.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01871	0.6
55.05510	4.2
55.90330	0.5
56.96569	0.9
67.05497	4.2
67.89851	0.6
69.03419	1.0
69.07058	2.5
70.74937	0.5
72.70599	0.6
79.05475	11.1
80.52232	0.5
81.03410	1.0
81.07032	3.8
83.04961	2.9
83.08599	2.2
91.05460	38.5
93.07021	10.4
95.04924	2.9
95.08576	4.8
97.06501	0.8
98.97566	2.2
103.05427	0.6
105.07016	18.1
107.04937	0.7
107.08590	6.1
109.06483	1.0
109.10129	1.4
112.57676	0.5
115.05430	3.1
116.06228	11.4
116.98601	1.0
117.06991	3.6
119.01826	0.7
119.04927	7.0
119.08572	13.4
121.06503	0.9
121.10139	5.7
123.08044	1.4
125.09583	1.4
128.06181	0.8
129.06979	15.9
130.07785	0.7
131.08546	64.4
132.83324	0.7
133.06479	1.0
133.10095	3.5
134.99664	0.9
135.11615	0.8
137.02319	4.1
142.07774	3.1
143.08554	4.7
145.10118	3.5
146.07335	0.6
147.08046	1.1
147.11668	3.7
149.09549	4.9
155.08517	1.1
156.09306	2.5
157.10158	5.2
158.10910	0.8
159.08032	100.0
161.09560	2.5
161.13266	1.1
165.07018	0.8
167.08464	0.6
169.10042	3.8
171.11678	4.9
176.12048	0.7
181.10013	0.7
182.10776	0.9
183.11665	3.0
185.09625	0.9
185.13184	0.6
189.12738	0.7
192.09402	0.8
193.10117	1.0
194.10728	0.8
195.11578	0.8
197.13194	3.6
199.11177	3.3
199.14771	0.8
206.10912	0.7
207.11601	0.7
207.13756	0.9
210.10362	0.8
211.14828	1.0
213.12740	0.9
221.13246	0.6
225.12645	2.4
227.07069	0.9
233.13200	0.7
239.07042	0.8
263.17972	1.4
281.19153	11.0
284.06778	4.1
299.09106	5.5
299.20004	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.076
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
53.03936	2.0
53.75502	0.2
55.01861	0.5
57.03423	1.0
60.43874	0.2
61.02910	0.6
65.03635	0.2
65.03934	2.1
66.91769	0.2
68.16415	0.3
69.03419	7.0
71.01341	0.5
71.04969	0.4
73.02905	0.3
81.02928	0.5
81.03407	16.0
85.02897	4.3
92.09350	0.3
93.03379	3.4
96.26720	0.3
97.02878	4.1
98.86176	0.2
99.04441	1.8
107.01331	0.4
109.02869	5.6
111.04432	7.1
117.03098	0.3
127.03909	4.9
128.12103	0.3
137.02336	100.0
137.03410	10.3
155.03363	3.1
200.41916	0.3
238.78578	0.2
262.15002	0.3
267.28693	0.2
281.06482	5.2
299.07544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0759
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
50.17511	0.2
53.03936	1.3
55.01855	0.5
55.05502	0.3
56.84649	0.3
57.03418	1.2
61.02894	0.6
62.33417	0.2
64.32255	0.3
65.03927	3.1
69.03413	4.8
71.01343	0.4
71.04978	0.4
71.61343	0.3
73.06502	0.3
81.03397	9.1
82.08534	0.3
85.02886	6.3
93.03366	2.9
97.02859	2.5
101.05989	0.4
109.02859	4.2
111.04430	8.6
117.03349	0.3
119.07050	0.3
127.03899	5.2
137.02324	100.0
137.03398	9.0
140.01768	0.3
145.04893	0.4
147.04343	0.3
155.03378	5.3
163.03896	1.1
281.06494	1.5
299.07532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05509	6.0
57.03433	100.0
59.04992	23.5
61.02928	8.8
66.32871	0.7
69.03429	8.5
71.04979	3.7
73.02905	1.2
81.03396	2.0
83.04973	4.1
85.02898	30.6
87.04443	1.4
91.03927	1.9
97.02881	8.1
99.04452	1.7
101.06011	15.1
109.02871	3.2
119.06223	2.0
119.07043	42.0
127.03899	5.2
145.04980	4.9
159.61369	1.2
161.47383	0.9
254.23102	1.1
263.11404	1.3
298.19589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.18098	0.1
54.81471	0.1
55.01855	0.6
57.07058	0.3
65.03954	0.1
68.14117	0.2
69.03413	0.9
71.01342	0.6
71.49628	0.1
73.02867	0.2
81.03400	4.5
85.02898	1.1
92.08698	0.3
93.03386	0.4
97.02869	0.3
99.04462	0.3
105.23760	0.1
107.01293	0.7
109.02868	2.7
111.04417	0.9
127.03898	4.1
137.02333	100.0
137.03406	10.8
155.03424	0.2
160.55257	0.2
195.62544	0.2
246.68300	0.2
250.72107	0.1
255.37569	0.2
283.19260	0.2
283.22278	0.2
299.02219	0.2
299.07526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01857	0.5
65.03937	0.3
68.99803	0.2
69.03417	1.2
69.68017	0.2
71.01327	0.5
80.70287	0.2
81.03400	5.4
85.02899	1.2
93.03427	0.2
97.02866	0.3
99.04467	0.2
107.01281	0.3
109.02859	2.2
111.04436	0.9
127.03910	4.2
137.02336	100.0
137.03413	9.5
155.03381	0.3
177.60483	0.3
177.75168	0.2
285.37552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0758
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
53.03928	1.5
54.33523	0.2
55.01857	0.4
57.03415	0.3
57.72343	0.2
58.48837	0.2
63.29437	0.2
65.03931	0.9
68.99765	0.3
69.03410	2.0
71.01319	0.3
71.05003	0.3
77.40495	0.2
80.97655	0.2
81.03401	8.3
85.02890	2.3
92.09301	0.4
93.03385	0.9
94.75193	0.2
97.02867	1.2
99.04442	0.8
99.76755	0.2
107.01281	0.3
109.02862	3.6
111.04445	2.5
121.48656	0.2
122.74654	0.2
127.03898	4.1
137.02328	100.0
137.03398	9.8
144.60678	0.2
155.03397	1.3
184.03590	0.2
191.89055	0.2
239.06915	0.2
267.06522	0.2
269.08102	0.4
281.06494	1.1
299.07593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.03926	0.3
55.05494	0.6
56.96551	2.0
57.03421	0.5
57.94312	0.3
59.04956	0.3
59.79835	0.3
60.67503	0.3
61.00875	0.3
61.01147	5.1
69.03406	2.3
69.07064	0.5
71.01321	0.4
72.41786	0.3
75.02693	3.8
81.03385	0.8
83.08585	0.5
84.96044	0.5
85.02896	3.1
88.05312	0.3
93.06984	0.3
97.02872	2.9
98.97569	3.4
101.09640	0.8
103.02181	0.4
107.04918	0.8
116.98607	2.8
117.03384	0.7
119.03517	0.4
127.03915	0.4
134.99640	1.8
135.04385	0.7
136.06166	100.0
137.02332	6.3
145.02913	1.4
147.04393	0.6
158.99655	0.6
159.03111	0.4
162.99100	0.7
163.03882	8.1
164.04227	0.6
173.01175	0.4
177.00696	1.8
219.01773	0.6
261.02646	0.4
265.07004	1.3
266.07245	0.4
292.98459	0.6
298.09470	3.8
307.10983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.05508	39.1
56.30586	0.8
57.03189	0.9
57.03437	23.2
59.04715	1.3
59.04994	25.3
61.02902	4.3
61.34348	0.8
61.85424	0.9
69.03404	5.9
71.04993	8.6
72.08141	100.0
73.06540	2.0
81.03408	7.1
83.04970	34.6
83.80164	0.8
85.02367	0.9
85.02890	31.5
87.04455	34.0
97.02868	5.7
99.04439	20.6
101.06002	96.2
103.03927	35.4
105.05479	7.9
109.02855	4.4
109.07610	2.3
118.08640	33.6
119.04977	1.4
119.07038	27.5
127.03901	22.3
136.06160	2.1
143.07027	12.9
145.04933	6.5
161.08054	2.1
163.06007	5.1
172.95152	1.3
245.10066	4.1
246.05782	1.1
263.11206	11.4
299.07394	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01867	1.7
55.05510	17.3
57.07060	5.6
58.02948	6.5
58.20602	1.2
60.66336	1.2
67.05489	29.6
69.03418	1.8
69.07059	21.2
71.04980	2.0
79.05479	25.5
80.06220	1.5
81.07042	48.2
83.04974	5.4
83.08607	5.9
83.69492	1.2
91.05462	34.1
92.09297	1.4
93.07023	61.8
95.04945	18.7
95.08585	78.2
97.06505	12.6
103.05441	5.9
105.07013	100.0
107.08578	33.8
109.06509	8.1
109.10136	18.5
115.05381	1.8
117.06986	13.6
119.08568	57.8
121.06487	16.3
121.10123	92.8
123.08059	7.9
123.11680	34.9
128.06219	5.2
129.06985	8.3
130.07770	5.7
131.08542	19.8
133.07611	2.0
133.10124	47.7
135.08043	2.7
135.11696	7.6
135.71545	1.4
141.06979	1.8
142.07756	24.2
143.08528	15.5
144.09355	7.0
145.10120	46.5
146.07256	3.4
147.07979	2.5
147.11653	23.6
155.08525	2.9
156.09348	8.0
157.10115	35.8
158.10907	5.6
159.11668	19.0
160.08711	1.5
161.09601	7.2
161.13261	3.2
166.07988	1.7
167.08545	2.3
168.09357	1.7
169.10132	5.2
171.11662	9.4
173.09634	2.4
173.13278	8.1
174.14133	2.0
175.11179	15.3
175.14827	6.2
179.08537	3.2
181.10149	2.7
183.11780	4.9
185.13257	8.9
187.14822	3.1
193.10086	2.4
194.10933	2.0
195.11644	2.9
197.13203	5.4
199.11147	2.0
199.14801	3.1
201.16429	2.4
209.13329	6.2
211.14732	2.5
223.14867	6.6
241.15814	2.6
297.22009	15.3
297.29971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.4
56.96560	13.1
67.05494	8.4
69.03419	8.2
69.07032	23.5
75.04477	14.3
76.31030	5.6
79.05491	10.9
81.07040	12.0
81.86908	7.1
83.08642	8.0
91.05400	7.6
93.07021	26.2
95.08591	25.3
98.97574	74.4
107.08614	13.8
116.98607	68.3
119.08580	9.7
121.06500	12.8
121.10101	12.6
123.08086	11.2
123.11679	12.4
134.99651	57.3
135.08040	62.6
135.11633	9.1
145.10135	12.5
147.11719	10.4
151.66360	6.9
153.00761	8.1
163.07524	52.5
163.14948	7.1
173.00751	5.8
174.29175	6.8
176.11992	8.9
177.09149	8.0
187.14774	13.2
191.14268	74.9
205.15848	14.9
215.14275	8.3
233.15361	100.0
247.16772	7.4
250.97369	9.6
265.17773	9.1
274.97482	28.3
292.98587	30.2
297.20721	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	297.0604
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
50.63577	0.3
54.87310	0.3
55.05497	0.3
57.03432	0.5
59.04760	0.3
59.04991	6.0
64.49022	0.3
65.03921	1.9
67.86329	0.3
69.03411	0.8
73.34535	0.3
74.06040	0.4
79.05463	0.8
79.36120	0.3
81.07043	3.5
82.07370	0.4
85.02903	2.9
91.05461	25.9
94.16356	0.3
97.02891	0.6
98.97586	0.6
99.08073	15.3
100.08396	2.4
117.09128	4.6
119.04919	52.9
125.58223	0.3
125.64135	0.4
125.99823	0.3
130.36064	0.4
147.04391	100.0
156.08014	0.4
178.03630	0.5
190.77808	0.4
217.07153	1.9
218.07312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11830	1.5
55.05492	7.5
57.07072	2.3
58.52436	1.6
59.04988	1.9
59.58597	1.4
59.65697	1.6
67.05477	4.2
69.03410	10.5
69.07053	18.9
73.02891	1.8
73.71159	1.6
75.04452	3.6
77.90923	1.6
79.05480	2.5
81.07033	9.2
83.04973	2.4
83.08567	2.4
85.06492	3.7
85.32307	1.5
91.05465	4.4
92.08678	6.0
93.07017	17.6
95.04951	3.6
95.08594	13.0
97.02862	2.4
98.97564	8.7
105.06990	11.5
107.08573	17.2
108.52000	1.9
109.06477	9.9
109.10113	2.9
110.16386	2.2
115.07556	15.2
116.98585	9.8
119.08570	12.4
121.06478	20.8
121.10104	11.7
123.08063	19.9
123.11662	7.0
125.05940	2.7
131.08548	9.7
133.10127	8.1
134.99574	4.3
135.08031	52.8
135.11656	9.5
145.10130	16.0
147.07977	2.2
147.11694	7.0
149.09605	12.0
151.11131	1.9
159.08069	4.1
161.13185	1.8
163.07513	26.4
163.14716	2.4
173.09584	2.7
173.13225	4.0
176.11906	15.9
177.09093	10.8
187.14796	8.5
191.14282	100.0
200.70212	1.9
205.15843	17.1
215.14307	11.9
227.36984	1.8
233.15331	90.7
237.02907	1.8
247.16968	6.8
265.17984	18.4
274.97452	3.6
279.19449	7.7
292.98441	8.2
297.20572	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	296.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46490	0.6
55.05508	5.3
57.01091	0.6
57.03432	0.8
57.07059	0.7
59.04975	0.7
69.03419	5.0
69.07078	0.7
71.04963	0.9
73.02895	0.8
79.05504	5.7
80.29537	0.7
81.03409	2.9
81.07041	28.8
85.02898	14.1
91.05470	7.5
97.02879	3.5
98.97549	0.8
99.04420	1.6
99.08078	100.0
108.58778	0.8
109.02879	1.3
117.09119	15.8
119.04924	19.4
127.03895	1.7
127.77024	0.7
145.04933	1.4
147.04398	30.5
163.03865	1.0
190.06067	3.3
198.90070	0.8
217.07204	23.4
279.10904	1.7
285.48898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
55.05480	0.3
58.10260	0.3
63.34467	0.2
65.03928	3.0
68.55982	0.2
68.70872	0.2
69.03409	0.6
69.19513	0.2
71.04965	1.0
81.03406	0.4
85.02910	1.3
90.38559	0.2
90.49416	0.2
91.05464	24.8
97.02895	0.5
99.03838	0.3
99.04435	7.5
100.04781	1.0
115.03883	0.3
117.05466	2.7
118.05828	0.5
119.04923	53.2
129.05470	0.4
147.04391	100.0
150.48622	0.2
291.46423	0.3
319.01846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
53.62221	0.7
54.86787	0.7
55.01868	1.0
57.01860	0.7
57.03427	2.1
61.02915	5.6
65.63189	0.7
69.03420	29.5
69.03800	1.1
71.04977	48.7
73.02892	1.0
81.03405	13.1
85.02889	45.4
91.03931	1.6
96.84317	0.9
97.02877	11.8
99.04436	100.0
109.02837	2.1
117.05476	43.6
123.04419	1.0
127.03893	8.2
145.04990	7.3
163.05983	3.5
191.58121	1.0
225.65048	0.8
243.08530	3.4
246.77385	0.9
261.09613	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	296.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.82026	0.4
55.05505	21.3
56.86301	0.2
57.03419	0.6
61.02904	1.1
61.12608	0.3
68.10021	0.2
69.03416	5.8
71.04984	4.0
73.02911	0.4
81.03407	3.2
85.02895	7.5
87.04467	2.5
97.02866	2.0
99.04432	7.6
109.02898	0.3
109.91587	0.4
110.32709	0.3
115.55853	0.3
117.05470	100.0
124.53838	0.3
127.03905	0.6
145.04924	0.6
205.92506	0.4
233.93944	0.4
257.39243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01872	100.0
55.05495	64.9
57.07071	15.6
60.70442	7.6
62.23015	6.4
67.05490	75.7
69.07047	36.3
71.08607	21.0
76.10513	8.5
79.05475	56.7
81.07051	71.4
83.04974	33.0
83.08598	46.7
91.05435	63.0
93.07033	48.6
95.04960	13.4
95.08589	56.5
97.06513	10.1
99.08099	19.0
100.87413	8.3
105.07014	17.5
105.57359	8.6
107.08573	19.3
109.10116	7.4
111.08096	60.3
113.09623	9.7
119.08594	18.6
121.10129	20.1
133.10091	17.9
145.10115	8.9
151.11212	13.3
165.12755	44.7
217.24797	8.5
217.36668	8.0
225.61992	8.5
259.20313	9.9
277.21567	82.0
295.22562	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.33305	7.7
51.74890	8.1
55.05504	56.7
56.26625	8.6
56.55624	10.5
57.07064	48.9
60.45520	9.7
67.05505	88.7
69.07050	50.8
71.08593	13.6
79.05470	69.2
79.58260	11.3
81.03397	51.9
81.07041	100.0
82.69704	11.2
83.04966	16.4
83.08637	14.2
83.59991	9.8
85.10166	62.4
86.75559	9.9
90.87097	8.6
91.05460	65.6
93.07034	49.8
95.04962	56.3
95.08601	57.0
95.09592	9.7
98.87103	9.6
100.13899	9.3
105.07018	53.0
107.04929	13.4
107.08578	41.5
109.06538	15.6
109.10178	14.8
113.09675	25.6
117.06998	12.1
119.08566	12.2
121.10117	10.9
133.10091	38.5
135.11572	13.7
142.90768	10.5
165.12775	51.8
173.13240	10.6
251.82367	12.0
265.43478	10.3
277.21622	44.2
295.22537	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03937	21.1
55.01858	4.9
55.05513	30.7
67.05495	65.2
69.07055	55.7
79.05473	55.4
81.03398	100.0
81.07045	62.4
83.04960	25.7
83.08590	7.0
85.18538	4.0
91.05463	26.6
93.07021	41.8
95.04942	47.0
95.08601	27.1
104.70374	3.5
105.07015	35.4
107.08578	34.3
109.06508	8.5
109.10141	9.4
119.08540	22.4
121.10100	5.6
123.11632	4.8
125.09557	4.8
131.08574	4.3
133.10100	17.7
135.08025	6.7
147.11652	4.4
149.13226	6.0
151.11153	20.9
161.13205	5.7
165.12744	6.0
175.14906	4.1
179.05156	4.0
184.55313	3.4
277.21539	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00292	1.1
53.03945	27.1
55.01878	11.0
55.05266	1.6
55.05507	37.0
57.03421	4.5
57.07066	7.8
62.64814	1.1
64.33542	1.0
65.03919	1.2
67.05495	69.7
69.07057	49.3
71.04980	2.3
71.08601	2.5
72.82687	0.9
79.05479	40.4
81.03401	100.0
81.07040	64.9
83.04976	18.0
83.08598	8.3
85.10167	2.8
91.05464	25.0
93.07025	38.2
93.75755	1.2
95.04951	43.2
95.08583	25.7
97.06490	4.3
97.10142	7.6
99.08092	4.9
105.07016	28.0
107.04936	1.9
107.08588	28.2
109.06488	10.6
109.10151	20.1
111.08071	1.9
117.06982	4.5
119.08555	12.8
121.10147	9.8
123.11671	6.2
125.09621	7.1
129.06934	1.9
131.08527	4.8
133.10130	14.7
135.08015	2.7
135.11687	5.3
137.09602	1.8
145.10114	2.3
146.01335	1.3
147.11662	11.8
149.13263	2.1
151.11171	32.5
153.09012	2.2
157.10083	1.9
161.09627	1.4
161.13229	7.4
163.14735	1.6
165.12775	10.7
171.11591	3.3
175.14862	2.1
177.12766	1.8
179.14206	1.8
207.13690	2.1
217.19417	1.7
231.21068	6.2
238.16521	1.1
241.19376	1.6
249.22052	4.7
259.20544	4.8
277.21588	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.25986	3.1
51.31748	2.7
55.01860	20.6
55.05505	71.6
57.03416	23.7
57.06855	2.8
57.07069	47.3
58.43941	3.8
60.87162	3.3
64.33918	4.2
67.05183	5.0
67.05494	75.8
69.03399	18.2
69.07047	62.5
71.04969	6.3
71.08611	9.0
73.02898	8.1
79.05476	66.5
81.03375	3.9
81.07033	100.0
83.04958	21.9
83.08591	23.7
85.02871	30.8
91.05462	58.1
93.07022	76.3
95.04926	22.6
95.08580	63.3
97.06532	29.8
97.10154	7.6
99.08056	6.7
101.02354	23.5
105.07012	37.8
107.08582	14.8
109.06502	5.6
109.10143	17.3
111.08061	4.2
119.08566	26.6
121.10164	28.1
123.08047	4.9
125.09567	4.8
129.06956	4.3
131.08534	6.6
132.14476	4.1
133.10106	29.9
135.11681	16.0
137.06004	3.9
137.09567	4.3
139.11145	18.5
147.11687	9.3
151.11116	14.1
157.10062	7.2
157.50676	3.6
161.13242	6.2
175.11122	16.6
193.12270	5.7
221.11703	19.7
229.51802	3.9
259.20691	4.4
277.21484	23.8
295.19342	4.3
295.22604	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.27437	4.4
55.01859	5.8
55.05506	39.8
57.03427	5.2
57.07068	7.2
60.58737	4.3
62.75034	4.8
67.05487	100.0
69.07046	27.8
71.08609	75.3
79.05473	97.7
81.03381	8.7
81.07038	78.6
83.04979	10.1
83.08623	8.2
85.06568	4.8
91.05448	43.7
92.08646	12.0
92.63882	5.6
93.07014	97.2
95.04942	10.9
95.08586	60.2
96.98077	4.8
97.06506	20.2
99.08064	39.6
105.07013	32.2
107.08569	47.0
109.06512	8.3
109.10131	22.2
119.08540	22.0
121.10109	28.7
131.08722	6.7
133.10129	23.9
134.62325	4.7
135.11676	35.5
137.10507	5.8
141.09097	6.4
147.11688	7.5
149.13216	6.2
150.73831	4.9
151.11148	30.4
161.13263	20.4
168.83063	5.4
179.14270	98.4
250.69597	5.4
277.21497	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	295.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.3
54.82828	0.1
55.05507	5.5
57.07068	15.8
65.03928	0.9
67.05474	0.2
73.06535	2.0
79.05479	0.2
81.07028	0.2
91.05452	0.2
93.03396	0.3
95.04987	0.2
98.97561	0.2
111.04438	0.3
121.02856	5.9
121.03889	0.6
129.06975	0.2
131.08586	0.5
140.72693	0.1
143.04897	0.4
149.02328	100.0
150.02638	0.2
161.05954	1.0
167.03409	1.7
175.07513	2.8
185.06049	0.2
203.07013	2.9
205.08545	0.6
219.09161	1.0
277.14386	1.8
282.69138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00290	4.9
53.03944	3.3
55.01867	30.5
55.05506	86.8
57.03438	16.0
57.03656	1.6
57.07070	10.4
58.59811	1.7
61.02634	2.0
65.66673	2.1
66.99246	1.8
67.05496	96.4
69.03420	10.1
69.07059	48.5
71.04968	4.7
71.08617	33.6
79.05050	3.8
79.05478	75.0
81.03397	10.6
81.07038	100.0
83.04971	30.2
83.08605	35.4
85.06513	3.7
85.10169	3.1
91.05465	54.2
93.07029	87.5
95.04964	20.2
95.08594	52.7
97.06516	20.1
97.10149	14.7
99.08096	14.4
105.07023	45.0
107.04928	2.7
107.08588	47.9
109.06498	12.5
109.10161	21.7
111.08081	22.3
113.09663	2.4
117.07016	10.5
119.08582	23.0
121.10159	20.9
123.08020	8.4
123.11710	2.9
125.09621	10.6
129.06970	11.3
131.08551	12.9
133.10106	29.3
135.11702	15.4
137.09608	2.9
139.11177	12.3
143.08534	4.1
145.10133	4.0
147.11708	15.4
149.09511	2.4
149.13225	10.6
151.11188	15.9
153.12675	2.3
157.10135	5.0
159.11749	4.4
161.13248	11.2
163.11154	9.0
165.12709	9.2
169.66608	1.9
175.14807	3.1
179.14304	3.1
185.13249	2.3
189.11183	9.7
193.12294	3.3
195.13753	8.3
231.20766	4.3
241.19388	2.5
259.20569	3.3
277.21548	47.9
280.61899	2.7
295.22620	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1538
Annotation	40321-99-1
Peak:m/z	Relative Intensity
51.88255	0.2
53.03934	0.3
55.05268	0.3
55.05507	5.3
57.07070	14.5
65.03915	1.0
67.05499	0.8
73.06532	1.4
76.56951	0.2
79.05460	0.4
81.07057	0.4
81.47169	0.2
84.97372	0.2
91.05466	0.5
92.09248	0.4
93.03373	0.4
93.07043	0.3
95.08553	0.3
95.18048	0.2
98.18543	0.2
105.07022	1.1
107.08541	0.3
107.95572	0.2
109.10124	0.2
111.04414	0.3
121.02853	5.8
121.03847	0.5
121.86209	0.2
129.06918	0.3
131.08521	0.3
133.06448	0.3
135.08026	0.8
149.02328	100.0
151.11125	0.3
161.05959	0.5
167.03387	2.0
175.07483	2.3
203.07043	2.4
205.08591	0.8
219.83282	0.2
221.07983	0.3
277.14285	2.1
293.82434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1539
Annotation	40321-99-1
Peak:m/z	Relative Intensity
52.15743	0.1
53.03914	0.2
55.05506	4.7
57.07069	15.3
58.99759	0.1
64.33577	0.1
65.03912	1.1
65.39581	0.1
65.63589	0.1
67.05481	0.2
71.81238	0.1
73.06545	1.5
79.05465	0.1
81.07012	0.2
91.05463	0.6
93.03386	0.7
93.07005	0.2
102.68310	0.1
109.10124	0.2
109.31061	0.2
111.04408	0.2
119.08594	0.2
121.02845	5.7
121.03952	0.7
129.06964	0.6
131.08534	0.3
136.91156	0.1
143.04866	0.3
149.02324	100.0
161.05954	0.9
167.03380	1.5
175.07503	2.5
183.02696	0.1
203.06998	2.5
205.08623	0.6
221.08130	0.2
250.76540	0.2
265.28372	0.1
277.14310	1.9
282.48053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72130	0.3
53.00297	0.5
55.01833	0.4
55.05507	6.5
56.96543	0.4
57.07069	15.0
65.03928	0.7
67.05498	0.4
69.07051	0.5
73.06541	1.7
79.05486	0.6
81.07044	1.6
91.05464	0.8
93.07013	0.5
95.08565	0.5
98.97562	0.5
105.07018	0.7
111.04512	0.4
112.24984	0.4
119.08543	0.6
121.02838	5.9
121.03989	0.6
126.78135	0.4
131.08522	0.6
135.96948	0.4
149.02327	100.0
161.05968	0.8
167.03366	2.0
175.07489	2.3
194.05482	0.4
203.07047	3.2
205.08557	0.6
277.14288	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	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55212	0.1
51.59888	0.2
57.07043	0.2
58.02957	0.2
61.52650	0.2
61.66190	0.2
65.62539	0.2
67.05487	0.8
71.08591	0.2
77.92764	0.2
79.05470	0.9
81.07027	1.8
90.62022	0.2
91.05452	1.1
94.04162	2.2
95.04985	0.2
107.04897	0.2
109.06493	0.2
109.39693	0.2
122.03623	8.4
123.11689	1.2
131.29373	0.2
137.05959	100.0
158.15396	1.1
170.15361	0.8
189.61464	0.2
200.65800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.01536	0.1
55.05503	0.1
57.07067	1.2
61.10466	0.1
65.03907	0.2
66.04696	0.1
67.05483	0.2
71.08633	0.9
79.05482	0.9
81.03352	0.1
81.07018	0.8
86.80167	0.1
88.07632	0.2
91.05460	0.8
94.04166	2.4
95.04942	0.1
101.66349	0.1
105.06982	0.1
107.04918	0.2
107.08582	0.2
109.06538	0.2
119.08558	0.1
122.03622	9.3
137.05954	100.0
141.12740	1.2
158.15372	1.1
170.15300	0.2
258.37750	0.1
276.20465	0.2
276.99786	0.1
294.20825	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	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.96552	0.2
57.03432	0.2
57.04544	0.5
61.02908	0.2
63.35622	0.2
67.05500	0.2
69.03413	0.4
69.07039	0.2
71.48819	0.2
75.29755	0.2
76.55375	0.2
81.07022	0.3
85.02890	1.2
89.03925	0.7
91.05463	0.4
92.44875	0.2
93.07006	0.4
93.60011	0.2
94.04031	3.7
95.04988	0.3
96.05637	0.2
97.02863	0.5
97.10146	0.2
98.97576	0.2
106.03969	0.2
107.04951	0.3
109.02829	0.3
109.05093	0.3
112.05071	0.8
112.97327	0.2
115.07612	0.3
117.03380	0.4
117.07047	0.3
118.20906	0.2
119.03525	0.4
119.04936	1.1
120.04480	0.3
123.06652	2.6
125.21336	0.2
132.95854	0.4
133.05080	0.9
135.04398	2.0
135.05336	0.4
137.05978	0.2
141.06638	0.3
145.02869	0.9
145.06427	0.2
147.04401	1.6
148.06218	0.3
150.07739	100.0
151.08102	0.3
163.03862	4.4
165.05527	0.4
208.97171	0.2
234.06970	0.3
235.09471	0.2
262.91000	0.2
278.11432	1.1
295.11441	2.7
308.29947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55322	5.3
54.48142	4.5
55.01863	9.1
55.05502	45.5
55.95735	4.9
56.96548	11.1
57.03412	13.3
57.07051	5.5
57.65935	5.3
58.76115	5.1
67.05494	83.9
69.03421	13.7
69.07059	14.4
71.04961	14.7
79.05477	69.2
81.07041	68.1
83.04964	37.8
83.08591	7.6
85.02881	25.4
85.06529	12.2
85.18125	5.7
91.05473	49.7
92.09344	7.0
93.07024	74.1
95.04930	33.3
95.08582	40.9
97.02869	40.3
97.06499	28.2
105.07018	26.0
107.04925	10.7
107.08592	51.1
108.04478	26.9
109.06482	9.2
109.10153	26.3
111.04421	37.1
116.98571	8.1
117.06993	11.4
119.08556	30.3
121.10130	79.9
125.09576	8.8
131.08594	22.5
134.99648	6.5
135.11656	24.7
135.77463	5.7
139.03899	36.4
145.10107	31.7
149.02296	25.4
149.09605	12.6
150.02681	27.5
154.04994	37.1
163.11145	26.5
167.10603	12.1
173.11731	26.0
177.00586	6.5
181.12158	8.3
191.10649	29.5
209.11691	100.0
217.14243	6.6
227.12740	74.6
294.16943	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55322	5.3
54.48142	4.5
55.01863	9.1
55.05502	45.5
55.95735	4.9
56.96548	11.1
57.03412	13.3
57.07051	5.5
57.65935	5.3
58.76115	5.1
67.05494	83.9
69.03421	13.7
69.07059	14.4
71.04961	14.7
79.05477	69.2
81.07041	68.1
83.04964	37.8
83.08591	7.6
85.02881	25.4
85.06529	12.2
85.18125	5.7
91.05473	49.7
92.09344	7.0
93.07024	74.1
95.04930	33.3
95.08582	40.9
97.02869	40.3
97.06499	28.2
105.07018	26.0
107.04925	10.7
107.08592	51.1
108.04478	26.9
109.06482	9.2
109.10153	26.3
111.04421	37.1
116.98571	8.1
117.06993	11.4
119.08556	30.3
121.10130	79.9
125.09576	8.8
131.08594	22.5
134.99648	6.5
135.11656	24.7
135.77463	5.7
139.03899	36.4
145.10107	31.7
149.02296	25.4
149.09605	12.6
150.02681	27.5
154.04994	37.1
163.11145	26.5
167.10603	12.1
173.11731	26.0
177.00586	6.5
181.12158	8.3
191.10649	29.5
209.11691	100.0
217.14243	6.6
227.12740	74.6
294.16943	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18794	3.0
51.48867	2.8
52.56089	3.1
53.03945	3.6
55.01861	15.1
55.05505	49.5
56.04999	3.8
57.03419	9.1
59.04974	3.3
60.04517	7.4
65.03890	4.2
67.05495	95.8
69.03406	9.1
69.07056	35.1
70.06556	4.6
71.01354	5.4
71.04964	23.9
76.80318	3.2
79.05474	81.7
81.03392	29.9
81.06602	4.2
81.07040	80.8
83.04965	36.2
83.08604	7.1
85.02886	16.4
85.06529	35.9
91.05470	47.7
93.07030	91.5
94.18673	3.4
95.04951	29.7
95.07766	3.8
95.08587	46.5
97.02861	30.2
97.06510	23.0
97.10165	4.7
100.16215	3.5
105.07014	27.4
107.04952	26.1
107.08575	42.4
109.06481	4.1
109.10144	41.3
111.04433	36.5
117.07012	14.2
119.08565	36.5
121.06490	7.9
121.10141	82.4
123.04454	5.0
123.08012	4.1
125.05974	8.1
125.09647	5.4
126.86922	3.7
129.06964	6.9
131.08542	38.1
135.04379	4.7
135.11693	23.5
137.09584	5.7
139.11131	14.3
145.10109	39.5
147.08049	4.9
149.02330	25.1
149.09610	34.3
150.02664	22.8
158.97362	3.9
163.11147	35.9
167.10614	14.2
173.09592	5.1
173.11658	29.8
175.07384	4.1
181.12184	15.2
185.11661	4.7
187.13245	5.1
191.10608	50.9
199.13187	6.4
203.12816	4.3
209.11665	100.0
227.12723	89.1
234.99045	6.7
244.15326	7.4
248.79031	3.5
262.16498	3.9
294.16809	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	294.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
57.03436	0.4
61.02916	1.0
69.01323	0.2
69.03417	22.0
74.48973	0.2
81.03403	0.3
81.92739	0.2
85.02895	8.7
87.04455	0.5
97.02874	52.9
109.02795	0.2
115.03914	100.0
122.18636	0.2
127.03876	1.2
141.06628	0.3
145.04935	1.0
193.99803	0.3
268.22418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41372	1.4
51.94967	1.4
53.03951	2.5
55.01866	15.4
55.20082	1.8
57.03418	7.9
57.82872	1.4
61.02920	13.2
61.11132	1.6
69.03421	26.4
69.07053	2.7
73.02902	71.5
80.30913	1.7
81.03382	13.1
85.02892	100.0
87.04432	2.6
91.03954	4.2
97.02869	33.0
97.06519	9.3
99.04443	2.5
109.02882	8.0
115.07548	83.9
121.57285	1.8
127.03916	18.0
145.04950	20.2
158.83449	1.8
163.05945	2.7
173.72607	2.3
203.58745	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.43640	1.3
53.00282	1.3
53.03691	1.5
53.03942	42.9
55.01654	1.3
55.01869	19.8
55.05508	100.0
57.03432	1.6
57.07058	2.5
65.03899	1.8
67.05144	3.0
67.05494	73.2
67.05851	3.5
69.07057	32.6
71.04968	6.0
71.29293	1.7
79.05479	59.1
81.02932	3.1
81.03403	81.4
81.07039	55.3
83.04965	9.9
83.08607	93.1
85.06532	6.0
91.05460	51.5
92.07288	1.8
92.09349	2.9
93.07024	48.2
95.01300	5.5
95.04948	33.8
95.08589	26.1
97.06494	6.3
99.08094	1.6
103.05432	2.1
105.04528	1.6
105.07013	30.5
107.04944	60.6
107.08607	19.4
109.02866	2.0
109.06482	9.3
109.10148	2.9
111.04448	1.8
111.08081	13.3
117.07007	19.3
119.08547	23.1
121.06480	7.6
121.10133	32.0
123.08036	5.9
125.05926	1.7
125.09640	1.3
129.06975	8.4
131.04904	6.8
131.08548	19.3
133.06512	1.6
133.10098	8.6
135.07991	2.5
135.11670	14.5
141.06953	1.8
144.05687	2.1
145.06473	11.9
145.10124	27.9
147.11659	12.1
149.09616	15.4
155.08566	15.0
159.11697	7.4
161.13188	1.8
163.11151	32.4
165.12764	2.2
173.09615	27.4
175.11113	2.4
191.10649	5.9
209.11646	2.0
239.17863	1.5
246.97955	1.9
247.20451	1.5
257.18961	3.6
275.19980	28.6
293.21066	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.32178	0.9
52.71178	0.9
53.00302	0.9
53.03937	2.1
53.21526	0.7
54.81468	0.9
55.01870	7.9
55.05264	1.6
55.05504	25.4
57.03426	1.8
57.07061	1.1
65.03919	1.2
67.05141	1.6
67.05491	45.0
67.45933	0.8
69.03416	1.4
69.07061	13.9
69.77967	0.9
71.04990	1.8
79.05473	40.5
81.03418	1.1
81.07040	43.6
83.04972	7.5
83.08611	13.2
85.06516	1.5
91.05461	43.7
93.07020	43.6
95.04952	13.3
95.08584	34.1
97.06499	10.4
97.10152	2.1
105.07013	50.3
107.04951	3.8
107.08582	34.2
109.06509	7.9
109.10136	17.8
111.08071	5.6
115.05437	1.0
115.67056	0.9
116.06132	1.0
117.07002	16.1
119.08562	40.2
119.09875	1.0
121.06499	6.7
121.10125	23.3
123.08041	6.3
123.11671	2.1
125.09585	1.9
129.06982	6.1
131.08542	24.1
133.06476	1.8
133.10106	33.4
135.08047	6.2
135.11659	7.1
137.09615	7.4
141.06996	1.8
143.08553	4.2
145.10101	25.4
147.07962	1.3
147.11679	13.8
149.09590	26.2
149.13258	1.7
151.11145	7.6
155.08511	1.4
157.10097	5.1
159.11676	14.6
160.14224	1.0
161.09550	2.2
161.13210	3.9
163.11156	19.0
165.12735	5.1
169.10126	5.4
171.11668	4.8
173.09602	3.4
173.13289	7.3
175.11142	3.3
175.14795	1.0
177.12732	5.1
183.11650	4.2
185.13185	1.0
187.14758	1.8
189.12796	2.2
191.14268	1.5
193.15750	0.9
197.13234	5.5
199.14850	1.0
213.16367	4.0
215.14420	1.1
215.17929	3.7
229.16008	1.3
229.19484	5.1
233.18965	1.0
239.15691	1.4
239.17899	14.2
247.20651	1.6
257.18954	19.7
275.20007	100.0
288.58923	1.0
293.21005	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	44.4
53.79782	2.0
55.01867	14.6
55.05507	30.7
57.07077	2.4
57.54705	2.0
67.05493	67.1
69.03394	2.3
69.07044	34.4
69.08252	2.3
79.05474	45.7
81.03404	79.2
81.07040	78.4
83.04981	9.5
83.08601	4.7
91.05468	63.1
93.07030	46.2
95.01324	14.6
95.04954	23.4
95.08591	54.6
97.06518	14.3
103.52331	2.4
105.07014	100.0
107.04945	35.3
107.08562	23.5
109.06519	4.4
109.10173	4.3
111.08022	3.4
117.07000	22.4
119.04877	2.6
119.08575	37.9
121.06464	10.0
121.10126	3.9
123.04454	4.6
123.08083	17.6
131.08543	21.2
133.06508	3.0
133.10106	45.6
135.11694	9.8
138.73405	2.4
141.06917	3.6
142.67447	2.6
145.06441	5.5
145.10123	14.3
147.11708	14.3
151.11180	2.6
159.11710	14.6
169.10118	3.3
177.12706	3.7
179.14236	4.0
180.00256	2.3
187.11122	2.4
190.50333	2.7
195.13805	2.9
200.33276	2.2
224.96706	2.3
257.19138	2.5
275.20047	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.78270	2.4
55.01872	5.6
55.05509	22.5
56.41163	2.8
57.07081	4.2
66.24831	2.2
67.05493	44.2
69.07054	36.7
79.05471	32.5
81.07044	58.7
83.04958	13.7
83.08607	5.9
86.98671	2.7
91.05467	27.0
93.07027	40.0
95.04941	5.9
95.08597	28.0
105.07027	36.6
107.04946	10.9
107.08570	23.0
109.06512	18.9
109.10151	11.2
117.07010	10.6
119.08585	19.7
120.74448	2.3
121.06475	16.2
121.10126	5.2
123.08038	3.8
131.08546	21.6
133.06471	3.7
133.10086	21.4
135.07938	2.7
135.11697	3.8
143.08601	3.2
145.10100	22.1
147.11646	11.6
151.11215	5.0
155.95090	2.7
159.11684	10.2
163.11171	4.1
191.14410	2.9
219.13684	2.9
239.18207	3.1
257.18964	11.7
275.20020	100.0
275.22910	4.7
293.21021	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	2.4
55.01870	6.4
55.05508	37.8
57.07062	14.1
63.91691	2.2
65.03895	2.2
67.05494	28.1
69.03423	2.2
69.07046	17.0
71.04989	2.7
78.45186	2.2
79.05477	44.1
79.48468	2.2
80.08212	2.2
81.03423	10.1
81.07044	55.4
83.04980	10.0
83.08602	13.4
85.02893	3.7
91.05464	32.1
93.07020	27.0
95.04947	100.0
95.08578	14.1
97.06494	2.9
97.10150	12.8
105.07018	23.0
107.04938	17.1
107.08577	23.5
109.06498	5.1
109.10170	3.1
111.04414	4.7
111.08090	2.7
114.97736	2.3
117.07031	2.9
119.08575	15.2
121.06512	3.4
121.10123	12.6
125.09644	6.2
131.08549	11.8
132.97348	2.4
133.10107	11.6
135.08095	5.1
135.11694	3.6
145.10114	12.4
147.11676	5.3
149.09615	29.4
153.05487	3.9
159.11633	3.5
163.11174	19.5
167.59798	2.5
179.92201	2.7
181.12296	2.9
187.11102	2.8
189.11264	3.0
191.10565	3.4
209.11723	5.7
223.13258	19.6
237.11238	14.5
242.45564	2.8
245.52087	2.8
257.19012	4.8
275.20053	37.5
293.21109	17.3
306.65314	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	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03942	2.2
53.11733	1.8
53.53185	1.6
55.01861	3.7
55.05510	21.3
57.03416	3.1
57.64262	1.8
59.14738	1.7
67.05500	48.5
69.07061	17.8
69.53212	1.7
73.02833	2.3
74.41061	2.0
79.05479	42.2
81.03396	3.6
81.07047	100.0
83.04977	3.4
83.08591	8.6
85.06530	2.7
91.05470	27.1
92.09358	2.4
93.07026	30.5
95.04969	12.2
95.08595	30.4
97.06466	3.3
97.10197	2.6
105.07014	31.1
107.04916	3.9
107.08599	18.8
108.31110	2.0
109.06523	14.1
109.10152	5.2
112.61726	2.2
117.07026	12.4
119.08585	20.8
121.06511	3.4
121.10146	10.7
129.06981	3.7
131.08569	12.0
133.10124	17.5
145.10103	3.6
147.11697	5.2
149.09549	2.8
149.13222	2.5
159.11684	2.4
173.13245	2.5
247.08606	3.5
275.20099	26.6
293.21005	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.22887	0.8
53.00307	1.2
53.03930	3.8
54.61434	0.8
55.01870	8.0
55.05262	1.7
55.05507	27.0
57.03428	4.4
57.07063	4.0
64.32847	0.9
65.03943	1.4
67.05494	52.3
69.03409	1.1
69.07050	20.2
71.04972	2.1
79.05479	44.8
81.03397	4.8
81.07040	100.0
83.04976	7.9
83.08620	7.6
85.06515	1.9
91.05461	44.0
93.07021	33.3
95.04945	14.2
95.08586	30.2
97.06510	4.2
97.10141	2.0
103.05441	1.0
105.07016	45.0
107.04930	6.5
107.08590	21.8
109.06506	13.8
109.10145	17.3
109.13184	1.0
111.08084	1.4
117.06999	12.4
119.08560	35.4
121.06438	3.8
121.10120	12.1
123.08054	6.9
123.11668	2.3
129.07004	3.7
131.08540	13.0
133.10115	21.4
135.08040	6.3
135.11670	4.7
137.09624	4.9
143.08537	2.3
145.10089	13.1
147.11656	13.1
149.02348	2.4
149.09608	7.6
151.11165	4.5
155.08650	1.2
157.10104	2.1
159.11638	6.4
161.13251	1.8
163.11156	5.5
173.13234	4.0
175.11177	2.1
175.47255	1.0
177.12764	1.2
183.11688	1.3
229.19418	2.1
239.18047	1.5
247.20490	4.3
257.18912	2.4
275.20020	41.6
293.21027	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.97835	1.1
53.03932	7.7
55.01638	1.3
55.01865	14.6
55.05508	66.6
56.22043	1.2
57.03408	1.7
57.07066	2.5
59.04994	1.1
67.05495	39.9
69.03412	1.6
69.07056	12.0
71.04968	5.7
71.12504	1.3
73.16513	1.1
79.05479	100.0
81.03396	5.8
81.07041	33.6
83.04965	26.6
83.08598	15.1
85.06520	1.7
91.05458	35.0
91.63216	1.3
93.07024	51.1
95.04945	14.8
95.08591	15.0
97.06490	3.0
97.10168	13.5
105.07018	35.5
107.04942	52.7
107.08580	44.6
109.06507	3.1
109.10140	12.4
111.08064	3.1
117.07017	10.8
119.08542	17.5
121.06436	1.4
121.10120	15.6
123.08044	1.5
123.11679	2.6
125.09607	10.0
131.08565	14.2
133.10118	13.2
135.08032	3.0
135.11646	5.3
143.08595	1.8
145.10146	9.7
147.11688	8.0
149.09602	44.9
153.09119	2.7
159.11661	2.7
163.11064	1.7
169.12138	1.8
173.13217	2.0
189.11214	5.4
191.14268	1.8
195.10101	1.6
209.15359	5.0
229.19574	2.6
237.11192	1.6
247.20598	1.5
257.18924	8.4
275.20026	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.00303	0.7
53.03939	3.5
55.01870	4.1
55.05510	11.2
57.03433	4.4
62.68295	0.8
65.03919	1.1
67.05501	28.1
69.07063	7.6
69.31332	0.7
71.04980	1.0
78.06658	0.6
79.05479	34.9
81.03400	1.7
81.07043	100.0
82.10912	0.9
83.04988	3.4
83.08601	3.9
85.06541	1.1
88.47318	0.9
91.05468	19.0
91.34862	0.7
91.88630	0.9
93.07027	19.3
95.04949	8.8
95.08592	16.9
97.06538	1.8
103.05437	0.8
103.43256	0.8
105.04502	0.8
105.07030	22.3
105.07664	1.4
107.04940	9.1
107.08584	12.3
108.71632	0.8
109.06504	15.7
109.10162	5.6
111.08047	1.0
117.06986	5.8
119.08575	11.9
121.06499	3.5
121.10112	6.7
123.08064	4.8
123.11709	3.5
129.07004	1.1
130.00569	1.0
131.08563	8.3
133.10118	12.4
135.08070	3.7
135.11641	3.2
137.09625	2.0
143.08569	1.3
145.10115	7.0
147.11687	6.8
149.09624	4.7
157.10146	3.4
159.11687	4.7
161.13264	1.5
163.11171	1.7
168.34322	0.8
169.10176	1.2
171.32764	0.8
173.13193	1.3
175.11171	1.2
177.09116	0.8
193.12183	1.0
197.98154	1.0
201.80614	0.9
215.14447	0.9
219.86156	0.9
229.19525	1.0
257.18958	4.2
275.20026	31.5
293.17603	1.6
293.21094	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.61120	4.9
53.03933	6.2
53.06360	4.9
55.01860	25.9
55.05512	71.6
56.96548	10.5
57.03433	6.7
57.07064	31.8
58.76942	5.2
62.52495	4.7
67.05497	59.3
69.03424	5.5
69.07057	61.5
71.08618	14.1
79.05476	100.0
81.03386	6.1
81.07039	89.1
83.08591	28.6
91.05466	71.6
92.09376	7.0
93.07027	75.6
95.04967	23.9
95.08582	53.3
97.06549	13.5
97.10156	12.9
98.97620	7.7
105.07023	68.2
107.04943	13.1
107.08573	84.9
109.06496	9.8
109.10134	12.9
117.07005	21.6
119.08573	46.9
121.06467	6.1
121.10126	36.9
121.24324	5.9
123.11687	7.6
125.09663	6.0
131.08522	25.4
133.10103	27.1
135.07996	8.4
137.13173	6.5
141.06944	6.5
145.10129	10.3
147.11729	10.0
149.01260	8.1
149.09669	13.2
151.11313	5.7
159.11658	13.1
163.11107	6.1
167.02419	7.7
172.44810	6.3
197.36650	6.4
211.97076	5.5
275.20172	55.4
293.17288	20.5
293.20645	8.4
293.28333	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.00288	2.3
53.03942	10.9
54.20083	2.5
55.01871	22.6
55.05505	65.5
56.96559	14.8
57.03431	3.7
57.07068	4.0
65.03949	3.2
67.05495	78.2
68.71779	2.4
69.03419	3.8
69.07062	70.0
71.04964	4.3
73.02895	2.5
79.05479	82.0
81.03413	11.8
81.07041	100.0
82.61814	2.5
83.04974	11.3
83.08621	24.4
84.96017	2.4
91.05463	65.0
93.07028	54.0
95.04958	35.1
95.08584	57.6
97.06514	14.7
97.10145	19.9
98.97566	33.7
105.07021	64.0
107.04929	18.4
107.08584	89.6
109.06506	19.8
109.10162	22.2
111.08054	4.1
116.98606	23.0
117.07004	17.6
119.08563	39.4
120.47057	2.5
121.06509	5.0
121.10146	22.2
123.08028	4.3
123.11668	5.1
125.09617	6.5
129.07011	4.9
131.00189	5.1
131.08517	22.6
133.10101	34.0
134.99649	16.8
135.08047	12.6
135.11691	12.8
137.09592	3.0
141.07056	3.5
145.10114	18.7
147.11705	16.3
149.01236	3.3
149.09619	26.3
149.13322	3.5
151.11174	4.7
152.96945	2.8
153.00859	2.8
157.10092	2.9
158.99744	3.8
159.11696	17.2
161.13242	3.3
163.04030	2.8
163.11166	14.7
173.13345	4.7
177.00702	13.6
177.12764	3.5
187.02791	6.2
189.11217	4.3
205.03813	5.5
214.01265	3.2
239.17931	5.2
247.20654	3.2
257.18997	11.7
273.09857	14.5
275.20035	83.3
293.20880	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	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03925	0.6
55.05506	27.4
56.96555	0.4
65.03922	0.8
67.05503	1.0
69.07048	0.6
73.06548	9.3
79.05463	2.3
81.07034	3.5
91.05457	5.0
92.63953	0.6
93.07038	1.3
95.04924	0.7
95.08565	2.3
97.06532	0.8
100.74202	0.6
101.06013	4.2
101.82494	0.5
105.07003	2.9
107.08573	1.0
109.10142	0.8
116.98619	0.5
117.07030	0.7
119.08517	0.7
121.02845	6.8
121.03986	0.6
121.06422	0.6
121.10129	0.6
129.06981	4.8
131.08543	4.1
143.04958	2.3
145.10110	1.1
149.02325	100.0
149.18889	0.5
161.05920	3.7
167.03355	2.0
175.07510	15.1
179.95685	0.6
203.07010	12.5
241.52090	0.5
275.12805	3.1
275.19916	1.1
293.13718	3.1
293.20956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
60.45019	0.6
69.07043	0.7
70.02966	0.7
70.06577	100.0
72.08142	6.4
74.02448	0.6
81.32401	0.6
84.04471	3.2
85.01105	1.0
85.02870	0.7
86.09691	39.5
88.03985	2.9
88.07597	5.7
96.04472	0.8
98.06038	3.3
98.09657	1.5
99.05551	6.4
100.11189	1.0
102.02115	0.6
112.06358	1.2
113.06028	0.8
124.17839	0.7
127.12295	60.8
132.10208	4.0
140.03403	0.9
145.99924	0.7
150.09131	0.8
155.11769	70.4
163.03825	0.7
170.11635	0.8
183.14938	1.7
187.08508	0.7
198.11227	1.0
201.12308	25.5
208.63594	0.6
214.46274	0.6
217.07227	1.1
229.13179	0.8
229.15427	23.1
247.14758	1.5
262.11014	0.9
293.15250	31.7
308.42676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79554	1.2
63.77329	1.4
71.84881	1.4
78.40553	1.6
88.20355	1.4
120.91710	1.8
139.57948	1.3
165.86430	1.4
168.20786	1.6
181.16869	1.8
227.94328	1.6
293.06271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
52.22456	0.1
53.03941	0.5
55.05507	24.2
58.82769	0.1
59.80109	0.2
60.59932	0.2
61.74954	0.2
62.21318	0.2
62.35788	0.2
65.03921	1.5
73.06543	8.9
74.64728	0.2
78.78783	0.2
91.05459	2.3
92.08693	0.3
93.03401	0.7
111.04410	0.2
116.06232	0.2
119.08533	0.2
121.02850	7.4
121.03886	0.8
128.06219	0.3
129.06981	3.6
131.08553	3.3
133.06503	0.2
143.04887	1.4
147.08022	0.7
149.02330	100.0
150.02730	0.2
157.06480	0.8
161.04704	0.3
161.05966	5.0
161.07281	0.2
167.03378	0.8
175.07523	15.5
185.06000	0.8
203.07007	13.5
221.08226	0.3
275.12772	2.4
293.13763	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	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.28450	0.2
55.05508	25.4
57.38832	0.2
59.84386	0.2
60.59273	0.2
65.03922	1.6
72.05513	0.2
73.06538	8.8
73.24297	0.2
78.55016	0.2
91.05467	2.1
91.05927	0.2
93.03385	0.3
115.05450	0.3
116.06194	0.3
117.06988	0.3
121.02852	6.9
121.03802	0.4
129.06978	3.5
131.08542	3.0
142.18034	0.2
143.04916	1.6
147.08008	0.3
149.02328	100.0
149.51418	0.2
157.06479	0.6
161.05959	4.5
161.91539	0.2
167.03378	1.2
175.07509	15.3
185.05933	0.4
203.07013	11.6
203.08919	0.4
275.12726	2.8
293.13763	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	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03935	1.8
53.57570	0.4
55.05484	0.6
56.05817	0.4
56.96552	0.7
57.03418	1.9
57.07063	0.4
61.02906	2.0
67.05493	6.4
69.03078	0.6
69.03420	12.6
69.07059	23.1
70.03751	0.4
70.06580	41.8
71.04965	2.7
73.02890	2.0
80.04988	0.7
81.03400	6.8
83.04974	1.0
84.04492	0.8
84.08131	3.7
85.02897	14.5
85.06536	0.7
87.04434	0.6
88.07621	5.2
89.28838	0.4
94.06552	3.4
95.01318	0.5
95.04953	15.9
96.04485	1.1
97.02882	16.9
98.97575	2.6
99.04429	1.0
109.02838	1.0
112.07593	40.3
113.02330	2.1
113.06001	2.1
115.03928	4.5
116.98592	2.1
123.04455	0.6
127.03873	1.8
130.06609	4.6
130.08623	100.0
131.00150	0.6
143.00102	0.5
145.04955	1.0
150.96939	0.5
163.02757	0.7
169.04395	0.6
172.35106	0.5
177.00722	0.7
181.30128	0.4
219.01811	0.6
237.02740	1.0
257.06570	0.7
292.09793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45614	0.5
55.01867	0.7
55.05508	0.6
56.96563	4.5
59.99105	100.0
67.05489	1.3
69.07122	0.5
71.07378	0.8
71.95254	0.5
74.49007	0.6
79.04115	0.5
79.05489	1.2
81.07045	2.3
85.07664	2.6
86.09700	7.9
91.05488	2.4
93.07029	0.7
95.45650	0.5
102.03754	85.2
104.10729	5.6
106.06542	13.5
106.07237	0.8
107.08536	0.6
114.92712	0.5
124.99999	5.5
131.00098	0.6
138.52937	4.6
142.04900	0.6
149.01201	0.8
155.70596	0.6
172.95241	2.6
181.02611	0.7
184.07359	4.1
187.08984	27.1
198.96809	1.3
216.97787	1.3
240.09944	2.7
270.42819	0.7
291.64496	0.7
292.14783	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.99345	0.5
52.46880	0.5
53.03944	5.7
55.01851	2.5
55.05507	8.1
58.51837	0.5
59.91278	0.5
65.03912	1.0
67.05499	11.8
69.07052	3.4
69.71648	0.7
71.04959	2.9
79.05473	31.1
81.03412	6.2
81.07041	100.0
83.04976	1.6
83.08609	1.4
91.05465	13.0
93.07027	10.4
95.01292	1.0
95.04928	6.5
95.08588	4.1
97.10151	0.9
105.07030	8.3
107.04905	5.1
107.08618	5.3
107.09489	0.7
109.06503	49.7
109.10126	1.3
116.38655	0.6
117.07003	6.2
119.08572	6.2
121.06493	3.3
121.10125	2.8
123.04423	1.5
123.08073	2.5
129.07004	1.3
131.08580	3.2
133.06476	2.4
133.10121	0.9
134.58191	0.7
135.08041	1.2
135.11633	0.8
139.03889	3.9
143.08513	1.3
145.06396	1.0
145.10121	3.6
147.08002	1.1
149.09622	4.6
157.10121	0.7
161.09608	1.4
163.11200	1.2
273.18472	4.5
291.19424	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.60939	0.7
53.00305	0.8
53.03934	4.8
54.03079	0.6
55.05503	21.7
56.34225	0.7
57.07065	3.1
57.20111	0.6
59.80910	0.6
62.47168	0.7
63.11538	0.6
64.33421	0.7
65.03921	1.2
67.05492	33.8
69.07055	15.7
79.05475	82.6
81.07039	33.2
83.04977	1.1
83.08619	5.2
85.06550	1.4
91.05462	30.3
92.09257	0.8
93.07023	100.0
95.04971	11.6
95.08596	16.8
97.06528	1.4
97.10135	1.7
105.04509	1.5
105.07021	17.4
107.08575	35.9
109.06509	3.5
109.10146	8.6
111.45709	0.8
115.56226	0.8
117.06950	2.7
119.08570	9.5
121.10117	28.3
123.11679	1.3
129.07010	1.0
131.08517	6.0
133.10107	10.5
134.24631	0.9
135.08041	0.9
135.11681	22.8
137.09505	0.9
143.08624	1.1
145.10127	2.0
146.46532	0.8
147.11693	4.3
149.13222	11.5
159.11676	3.1
161.13246	1.8
163.14818	5.1
171.11705	1.4
175.14792	1.5
177.12674	1.4
182.83675	0.7
185.13283	0.9
186.66385	0.8
241.19542	1.2
259.20557	4.8
291.19778	1.4
291.23090	21.9
291.26114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03924	8.3
54.43873	5.0
55.01863	15.2
55.05504	53.9
67.05489	42.4
69.07053	11.1
71.05000	8.1
73.69274	6.1
75.10141	7.2
79.05478	86.2
81.07039	98.9
83.08607	12.9
88.07627	12.2
88.08295	6.6
91.05460	63.0
92.09329	18.1
93.07025	61.9
95.04951	42.3
95.08559	29.9
98.19987	6.7
105.03384	8.2
105.07013	45.0
107.04931	31.3
107.08582	29.7
111.25065	6.5
117.06970	45.9
119.08561	63.3
121.06528	16.8
121.10117	11.4
123.04395	12.8
123.08014	7.2
129.07036	7.3
131.08553	35.8
133.06458	11.4
133.10097	10.3
134.85907	7.9
135.07954	9.0
139.03925	14.1
143.08525	10.8
145.10104	34.4
157.10085	15.5
161.09624	8.2
189.12553	7.1
190.85617	7.7
230.40878	7.5
273.18399	47.8
291.19427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.12962	0.5
52.77410	0.6
53.03928	1.3
55.01866	0.7
55.05311	0.5
55.05508	8.1
57.07062	0.8
57.47993	0.5
59.04975	1.0
61.62432	0.5
67.05482	4.2
69.03410	2.6
69.07053	17.6
71.04964	3.3
75.36814	0.6
79.05472	17.3
81.07037	13.6
83.04954	3.9
83.08586	4.0
85.06535	0.9
91.05460	12.8
93.07022	42.9
95.04935	4.2
95.08577	10.1
97.06510	4.4
97.10119	0.7
103.05486	1.3
105.07011	24.2
106.07790	0.7
107.04928	4.8
107.08572	13.3
109.06507	25.4
109.10121	1.2
110.66792	0.6
111.08054	1.4
111.11722	3.6
117.06976	1.1
119.08566	13.4
121.06475	1.5
121.10122	66.0
123.08057	7.7
125.09601	2.3
128.06171	2.9
129.07002	3.0
130.07698	0.6
131.08560	6.2
133.06479	1.1
133.10094	6.2
135.08040	5.6
137.09573	0.9
139.03870	1.0
139.11153	1.5
141.06940	1.0
142.07765	3.4
143.08543	3.5
145.10107	5.1
147.07982	1.3
147.11700	2.6
149.09598	18.9
151.07472	1.3
153.06923	1.2
155.08505	2.6
156.09315	4.2
157.10068	7.0
158.10919	0.7
159.08032	1.2
159.11702	1.1
164.81818	0.7
165.06929	1.1
167.10640	100.0
169.10039	3.5
171.11641	4.0
173.09567	3.0
173.13243	3.1
175.11163	3.7
181.10063	2.6
182.10922	2.8
185.13228	1.0
189.12714	3.7
191.10634	4.2
191.14264	5.9
196.12387	1.4
197.13187	6.8
199.11124	1.2
213.16357	1.4
215.14209	3.0
225.12859	0.9
227.14258	0.8
233.15311	9.7
237.16243	0.7
255.17404	3.7
273.18384	7.5
291.19492	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.05505	19.3
57.07046	3.1
57.12119	1.8
59.04980	4.0
59.56289	1.9
61.89075	1.8
64.32939	2.0
67.05481	4.0
69.03401	5.1
69.07031	3.0
71.04971	4.6
77.95085	2.1
79.05475	28.4
81.07031	10.7
83.04955	4.0
83.08608	20.1
85.02879	2.5
91.05441	11.7
92.09254	4.5
93.07007	18.5
95.04931	10.5
95.08585	29.3
97.06505	11.3
105.06990	17.0
107.04943	48.9
107.08595	17.4
109.06507	11.8
109.10162	3.8
111.08080	43.2
113.09642	2.8
117.06980	3.5
119.08570	18.8
121.06495	3.7
121.10130	10.3
123.07273	3.2
123.08058	52.3
125.09566	3.7
131.08539	13.7
133.06468	3.6
133.10078	17.1
135.08043	2.6
135.11667	4.0
142.07785	2.5
143.08519	2.2
145.10123	4.3
146.81036	2.3
147.08006	3.5
147.11687	14.8
149.09599	15.7
151.07521	100.0
156.09253	4.0
157.10133	12.1
161.09483	3.1
163.11075	3.6
163.58864	2.1
165.29829	2.2
171.11705	3.1
173.13239	13.6
175.11208	5.0
189.12718	23.2
191.14256	34.8
197.11627	4.6
207.13759	57.1
215.14342	3.4
233.15326	68.4
291.19461	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.67362	1.6
55.01865	2.7
55.05503	15.1
56.32040	1.8
67.05476	3.3
69.07050	4.0
75.83049	2.7
79.05483	10.4
81.07044	10.2
83.08623	4.1
83.19095	1.8
91.05475	11.7
93.07019	13.5
95.08591	4.6
97.10193	3.2
105.07031	12.6
107.04966	8.2
107.08574	3.6
117.06996	3.2
119.08591	9.0
129.00443	2.1
129.06941	2.9
133.06465	2.9
135.08115	2.2
139.03867	3.5
141.16106	2.0
147.04443	2.2
147.08069	2.6
149.09605	2.9
165.41624	2.9
170.37872	2.0
195.84560	2.3
273.18539	2.4
291.19519	100.0
291.22757	7.9
300.36136	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.98294	2.5
53.03934	5.2
55.01874	26.4
55.05508	56.6
57.03424	5.5
57.07075	6.6
60.19495	2.5
67.05489	39.7
69.03421	5.4
69.07047	20.9
70.06583	22.7
70.62061	2.8
71.04974	3.1
72.19209	2.4
73.17284	2.5
79.05478	88.9
81.03392	4.0
81.07037	100.0
83.04977	12.5
83.08597	14.3
88.07615	40.0
88.26353	2.7
91.05469	67.8
93.07027	37.0
95.04944	48.2
95.08566	27.8
97.06468	3.8
97.10166	14.0
98.88725	2.9
102.09186	20.8
105.03407	3.1
105.07026	43.7
107.04928	25.1
107.08585	30.1
109.04381	2.6
109.06528	12.7
109.10126	3.9
115.05489	3.6
116.06216	3.3
117.06997	32.8
119.04907	3.7
119.08569	55.5
121.06452	28.5
121.10123	16.9
123.08049	29.0
125.09627	6.3
129.06963	20.5
131.08556	23.9
132.30406	3.2
133.06485	14.3
133.10136	6.8
135.08020	13.2
135.11740	6.0
143.08533	15.0
145.10127	27.4
147.08020	26.4
149.09592	12.4
153.09122	4.5
157.10121	4.7
159.11671	3.9
161.09642	11.8
163.11189	14.8
175.11174	4.5
185.13197	3.7
223.13304	4.1
228.23198	35.0
229.23547	27.1
249.14731	12.1
273.18488	35.2
287.89380	3.2
290.26813	52.7
291.19495	98.1
291.27097	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
54.04356	3.0
55.01857	3.3
55.05497	16.4
56.96592	3.4
57.07065	5.1
63.39619	3.2
65.38812	3.4
67.05511	5.7
71.05005	4.4
73.35246	3.5
79.05492	15.8
80.17473	3.6
81.07053	27.4
83.08606	7.0
88.07626	4.5
91.05472	8.7
93.07044	22.7
95.04939	6.9
95.08601	17.0
97.06504	6.3
105.07019	18.3
107.04955	7.3
107.08595	24.2
109.06497	15.9
109.10150	6.0
111.08076	22.5
119.08591	18.1
121.10159	7.8
123.08051	40.0
131.08582	6.5
133.10106	7.0
135.08003	6.9
139.03868	4.8
143.08542	5.2
145.10115	31.6
147.11700	14.7
149.09634	5.4
151.07526	100.0
157.10094	7.4
171.11716	5.1
182.38463	3.6
189.12689	36.2
207.13795	44.4
215.14310	5.1
217.12090	4.2
228.23157	5.2
233.15352	14.9
290.26682	5.8
290.95160	4.1
291.19681	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03932	1.7
54.81455	0.5
55.01868	4.0
55.05506	17.3
57.03417	0.8
57.07058	0.6
59.04990	0.4
65.03921	0.5
67.05495	10.1
67.40723	0.3
69.03413	2.8
69.07055	6.8
71.04961	0.7
73.02887	0.3
75.47504	0.3
79.05475	15.2
81.03385	1.6
81.06593	0.7
81.07040	12.0
83.04962	2.7
83.08595	6.5
85.06526	0.5
88.07619	0.5
91.05458	13.3
93.07019	10.8
95.04948	6.7
95.08590	5.4
97.02825	0.6
97.06523	0.8
97.10149	5.1
103.05425	0.5
105.07006	12.4
106.43066	0.4
107.04935	5.4
107.08575	6.2
108.05720	0.8
109.06510	1.8
109.10152	1.5
111.08041	0.9
115.05443	1.7
116.06215	0.6
117.07005	6.2
119.04946	3.2
119.08558	10.3
120.05659	0.4
121.06478	3.5
121.10120	2.3
123.08023	1.7
125.08778	0.4
125.09610	3.2
128.06236	0.8
129.06963	4.3
130.07735	0.8
131.08542	6.1
133.06473	6.5
133.10139	2.1
134.07217	0.9
135.08034	2.2
142.07729	0.4
143.08591	2.8
145.10088	5.6
147.08032	6.5
147.11703	0.5
149.09590	2.5
151.07501	0.5
157.10080	1.8
159.08037	0.6
159.11685	1.5
159.27481	0.4
161.09644	1.8
162.10393	2.2
163.11079	0.8
165.09070	0.5
171.11650	0.7
175.11148	1.6
189.11226	0.8
223.13245	3.1
245.18985	0.4
249.14737	2.8
262.15619	0.5
273.18375	5.7
291.19485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66564	0.7
53.00301	1.2
53.03930	4.1
54.09534	0.7
55.01853	5.3
55.05500	1.8
57.03428	7.2
59.04988	10.8
61.02903	5.3
69.03416	77.8
71.04977	17.4
73.02872	1.6
75.04456	8.3
81.03404	15.0
83.01334	4.0
83.04957	1.5
85.02889	50.0
85.06525	3.8
86.09695	2.2
87.04446	9.2
96.06767	0.9
97.02867	68.3
99.04433	45.6
99.05091	1.4
99.45614	0.8
100.01974	0.9
109.02853	4.8
111.04428	6.7
113.05984	7.1
114.15422	0.8
115.03911	100.0
117.05518	1.0
127.03882	28.5
128.53925	0.8
129.04344	0.9
129.05450	0.8
132.85495	1.0
141.05429	2.1
145.05002	1.2
159.06509	13.0
173.12787	1.2
177.07552	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	291.0862
Annotation	Nubigenol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	1.0
55.14372	0.7
56.96551	1.4
57.56428	0.7
57.59873	0.7
66.12617	0.8
67.05495	0.9
68.99778	4.1
69.03407	1.9
71.01354	6.2
79.05492	1.2
81.03407	6.3
81.57994	0.8
85.02896	22.7
85.53414	0.9
91.05469	5.4
92.09265	1.9
95.04936	2.0
98.97571	5.2
99.04436	1.0
107.00079	0.9
107.04945	100.0
109.02872	4.0
111.04430	1.5
113.02377	1.8
116.98611	3.4
119.04926	50.7
121.02856	1.7
121.95922	0.8
123.04418	3.4
125.97530	0.8
127.03896	46.5
127.04807	1.8
133.06476	7.5
134.99637	1.8
137.02310	1.4
139.03879	10.4
145.06488	11.3
146.99646	1.1
147.04399	29.8
149.02280	7.6
151.03902	1.9
153.01878	1.2
155.03375	93.7
157.06500	2.0
161.05920	6.3
167.03354	14.2
171.02966	1.8
171.04320	13.3
171.05542	1.2
171.08104	1.0
181.06410	2.0
185.05977	4.5
186.81142	1.0
187.07544	1.4
189.05470	5.2
199.07539	2.1
213.05415	1.7
227.07074	4.0
231.06560	3.5
245.08067	3.1
255.06422	6.6
273.07544	13.3
279.04437	1.0
290.94766	1.0
308.95898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41809	0.8
53.97049	0.6
54.82301	0.8
56.05027	18.6
57.06824	0.8
57.07069	15.2
58.06595	8.9
60.04513	1.6
64.11658	0.7
65.26779	0.7
68.05019	0.8
71.08620	7.0
74.06053	14.8
85.10184	1.4
88.07612	78.2
104.07090	1.0
118.08628	13.3
120.16290	0.8
122.08099	4.8
167.21992	0.9
200.03621	0.9
242.24736	67.0
272.25885	3.2
290.26846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01552	0.6
57.02759	0.5
57.07067	15.7
58.06583	3.3
68.05006	0.6
70.06580	29.9
71.08604	4.2
73.76890	0.6
85.10165	1.3
86.06036	0.6
88.07614	41.0
102.09166	24.4
132.10188	1.4
137.13339	0.7
146.11688	1.0
162.41791	0.7
179.35460	0.9
184.20540	1.1
227.06429	0.7
228.23203	79.2
230.72636	0.8
238.36000	0.7
272.25876	5.8
290.26849	100.0
300.84964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01875	2.2
55.05492	1.2
57.03422	1.3
59.95340	1.1
67.05482	2.9
68.99786	2.1
69.03403	2.1
69.07052	7.0
71.04949	1.6
77.16792	1.1
79.05483	5.0
81.03396	2.8
81.07030	1.5
83.04955	2.1
83.08615	1.5
85.02900	4.9
91.05463	6.1
93.03390	1.3
95.04930	2.3
96.28718	1.1
99.40839	1.2
105.07036	1.9
107.04945	2.6
107.08624	2.0
107.89697	1.3
109.02944	1.4
111.04430	6.4
111.08047	1.2
111.13290	1.1
115.05434	1.2
119.04924	9.3
119.08574	1.8
123.04405	79.3
127.03889	1.8
133.06436	1.4
135.04372	4.4
137.02303	2.3
139.03877	100.0
143.04919	4.6
147.04393	33.4
148.30405	1.7
151.03963	1.8
153.33470	1.2
159.11673	1.4
161.05989	13.4
162.23785	1.2
163.03841	6.9
165.05423	9.9
179.07062	1.4
189.05481	1.4
207.06451	2.8
291.08514	9.0
311.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01851	1.5
55.05485	1.5
59.05002	0.3
63.96734	0.2
67.05437	0.3
68.33037	0.3
69.07053	4.4
73.02907	4.5
73.06529	2.3
81.07021	0.4
85.02917	0.3
92.64749	0.3
93.06972	0.3
93.47568	0.2
95.74184	0.3
97.54372	0.3
102.23873	0.3
105.26218	0.3
114.37720	0.3
116.98625	0.4
118.06524	17.0
118.07371	0.7
120.96520	0.3
132.08067	6.2
133.08826	2.9
133.09805	0.5
134.09631	1.1
139.03888	0.7
146.09616	4.9
147.10419	0.3
160.00336	0.3
160.11166	0.4
165.59076	0.3
176.14313	68.9
189.19466	0.3
202.15831	1.6
214.18404	0.3
232.13361	1.2
246.14792	1.7
247.15619	0.4
260.16376	1.5
290.21097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.05505	1.0
56.96533	0.6
59.04990	1.3
67.05472	1.5
69.07063	6.2
73.06528	2.8
79.05464	1.0
81.07012	0.7
83.04958	0.7
84.04475	1.5
91.05418	0.8
92.17328	0.8
93.07014	0.7
95.08543	0.9
97.36749	0.7
98.97546	0.9
109.10145	1.5
118.05711	1.2
118.06510	21.4
119.07297	0.9
132.08047	6.7
133.08875	4.3
133.10007	0.6
134.09622	2.2
146.09615	7.6
147.10440	0.9
159.11662	0.9
173.11650	0.8
176.14310	100.0
223.13194	1.0
234.14731	0.8
237.34868	0.7
287.56027	0.6
290.21085	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.171
Annotation	Ser Ile Ala
Peak:m/z	Relative Intensity
50.73832	0.8
55.05503	0.9
55.47557	0.8
60.04516	32.0
64.33879	0.7
69.03407	3.2
70.02948	0.8
71.04973	1.6
72.04526	0.8
72.08147	1.6
74.06062	0.8
77.43307	0.8
78.03387	0.9
81.03405	2.0
82.99520	0.9
83.04967	1.3
85.02874	1.7
86.09694	100.0
87.05579	17.3
87.37206	0.8
90.05568	0.9
97.02899	0.9
98.97550	1.5
107.04939	1.1
110.05941	0.8
111.04436	3.8
116.98607	1.7
123.04434	1.7
128.10709	10.9
129.05473	0.9
135.04347	1.4
137.02312	1.1
137.06042	1.0
139.03894	1.4
173.12830	73.7
201.12296	19.4
201.13820	0.9
203.13924	1.7
287.04272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11956	0.8
61.36870	0.8
69.12047	0.8
78.04190	0.7
91.05482	1.1
92.64120	0.7
96.08109	1.6
97.82750	0.7
107.08597	5.4
117.07021	8.4
119.08588	0.9
133.06487	4.1
134.09659	17.1
134.99619	0.7
144.08066	1.2
145.06514	0.8
146.06006	0.9
147.06783	46.1
152.07132	0.9
153.29622	0.7
155.57492	0.7
162.09123	100.0
215.60291	0.7
223.73944	0.8
224.41527	0.8
228.23221	1.0
290.17715	1.6
290.26721	1.8
309.15259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1797
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03930	1.9
55.01863	7.4
55.05509	15.4
57.03436	8.2
58.41752	1.0
67.05502	7.6
69.03432	1.2
69.07056	5.8
71.04981	1.0
79.05473	17.5
81.07047	9.0
83.04969	4.3
83.08611	2.6
91.05464	24.3
93.07029	39.3
95.04956	2.6
95.08595	5.4
97.10147	4.6
102.74071	1.1
105.07009	10.9
105.24649	1.0
107.04958	4.9
107.08591	20.9
109.02874	1.6
109.06518	2.2
109.10121	1.5
111.04404	1.2
114.35339	1.1
115.05479	4.8
117.07004	10.4
119.08549	16.2
121.06474	1.5
121.10114	2.0
123.04442	2.1
125.09631	4.6
128.06204	1.3
129.06989	4.6
129.15720	1.2
131.04895	5.5
131.08578	6.0
133.06499	2.4
133.10124	2.1
135.04422	2.5
135.08046	46.7
141.07100	1.1
143.08542	7.5
145.06482	6.7
145.10138	5.8
147.08064	2.6
149.05983	7.0
149.09616	1.9
151.07504	1.6
153.09113	1.5
157.10126	1.3
159.08037	12.9
160.08817	5.6
161.09550	4.1
163.07523	17.4
169.10124	1.4
173.09563	2.4
193.12230	4.2
206.04874	1.1
243.17276	2.7
271.16901	17.2
289.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.107
Annotation	Coeloginanthridin
Peak:m/z	Relative Intensity
55.05499	1.6
56.96540	4.7
57.07058	1.1
65.14114	0.9
67.05479	2.0
68.99777	8.5
69.03406	4.2
69.07064	1.6
75.88002	1.1
79.05484	1.2
81.03383	1.3
81.07023	1.2
83.04917	1.2
84.96003	1.7
85.02887	10.3
85.06506	1.2
85.33797	0.9
91.05453	4.5
95.04956	1.4
95.08653	1.3
98.97558	2.5
105.07006	2.2
107.04945	10.1
110.39529	1.0
111.04436	8.8
113.06001	1.5
115.05450	7.0
116.98618	2.3
119.04932	5.5
119.08568	1.5
121.02848	20.2
123.04422	12.5
127.03905	4.0
128.06203	1.7
129.06993	1.1
131.04930	7.4
135.04401	16.8
137.05968	2.4
139.03860	4.6
143.00133	1.5
143.04941	11.5
145.02827	1.6
147.04393	15.5
151.03883	1.9
153.01819	9.2
153.06950	2.5
157.06438	2.2
159.04379	6.3
161.01155	1.2
161.05952	4.2
163.03879	35.5
163.11343	1.2
181.06415	1.3
182.25792	1.1
185.05968	2.4
187.03818	8.7
199.07515	1.6
202.19794	1.1
203.06964	1.4
205.04889	2.4
219.01831	1.6
227.07091	1.7
243.06532	1.1
245.08044	98.8
268.26694	1.1
271.09509	16.4
286.75592	1.1
289.06046	8.9
289.10669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.02619	0.8
53.03945	15.5
55.01863	5.1
55.55402	0.9
56.96535	1.3
57.03423	5.1
58.09057	0.8
60.50966	0.8
61.02905	1.6
65.03946	1.0
67.05481	1.9
69.03419	17.5
69.13766	1.0
71.01341	2.3
71.04981	8.9
73.02935	1.2
79.05476	1.1
81.03403	30.7
83.04961	1.7
84.93928	1.0
85.02895	20.6
93.03378	1.2
95.04948	1.5
97.02871	17.7
97.37766	1.0
98.97571	2.0
99.04437	22.0
107.04933	1.1
109.02869	46.0
111.04408	9.6
111.05547	1.7
123.04416	14.3
127.03899	100.0
133.28949	1.1
135.04390	13.4
139.03914	6.0
151.03854	4.3
157.06102	1.6
163.03877	4.1
180.21620	1.0
194.36795	0.9
199.06094	1.4
223.05891	1.4
289.08896	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
52.21177	0.7
52.45298	0.7
53.03936	0.8
54.09979	0.8
54.81840	0.9
55.01846	1.6
55.05495	0.8
65.03922	7.4
65.12492	0.8
67.05494	17.1
68.99780	4.7
69.03404	1.5
69.07040	1.9
71.04991	0.8
76.78531	0.8
77.03906	1.4
79.05481	3.4
81.03385	1.9
81.07024	3.4
83.01357	0.8
83.04919	0.9
84.08136	3.3
85.02872	1.5
87.04469	0.8
89.03893	4.4
91.05460	1.1
93.03404	7.8
95.04957	9.1
97.02866	0.9
97.06521	1.0
103.05454	3.6
105.03380	1.9
105.07029	3.4
107.04937	6.5
107.22472	0.8
109.06504	1.1
109.10148	8.2
111.04433	36.5
117.03350	5.8
120.08079	1.1
121.02872	1.0
121.06434	0.9
123.04409	100.0
127.03920	11.9
129.10310	0.9
131.04871	6.7
135.04402	66.6
137.02336	3.8
139.03888	44.2
141.06949	0.9
145.02812	2.0
145.06454	1.3
149.02296	6.0
149.05988	1.7
151.03900	16.7
159.04320	2.3
161.05983	1.3
163.03877	23.7
173.05931	1.3
183.04323	0.9
185.06046	1.0
187.03891	3.5
197.05969	1.8
201.05511	0.9
205.04944	1.4
213.05385	1.1
215.07011	1.9
225.05443	1.7
231.06470	1.2
241.04982	1.3
243.06508	2.0
259.05960	1.8
261.07507	3.2
271.05930	4.6
289.07050	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	289.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29760	0.5
61.87801	0.6
63.79165	0.5
70.92017	0.6
78.74976	0.6
81.03364	0.7
127.03919	0.9
145.04710	1.0
168.16403	0.8
216.15034	1.0
218.50735	0.6
227.08841	4.4
229.06821	1.2
289.08890	100.0
297.62479	0.6
297.66458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Isookanin
Peak:m/z	Relative Intensity
52.58546	0.8
53.03942	1.0
55.01865	1.9
55.05498	1.9
65.03929	15.0
67.05488	2.7
67.24862	1.0
68.99782	4.6
79.05492	4.8
81.03375	2.2
81.07058	2.1
83.04959	1.3
85.02892	1.8
85.06542	1.3
89.03889	5.3
93.03386	12.5
93.07023	1.8
95.04953	7.2
100.07602	1.5
100.11256	7.0
103.05447	1.3
105.03418	1.4
107.04959	12.5
107.65900	1.3
109.02867	2.0
111.00788	1.8
111.04433	68.9
115.77330	1.1
116.98602	1.5
117.03370	5.2
119.04963	1.5
121.02822	1.4
123.04411	82.6
124.33540	1.1
127.03907	6.4
129.07025	1.2
131.04919	6.7
135.04396	100.0
137.02338	5.1
139.03888	46.4
141.07001	1.5
144.13910	1.2
147.04410	1.7
149.02298	9.4
149.06001	1.6
151.03883	21.6
159.04338	2.2
163.03873	13.2
177.05464	2.1
179.03421	2.4
191.36118	1.3
197.05914	2.5
205.62274	1.1
213.05360	2.6
227.17393	2.3
231.06607	5.4
235.57899	1.2
259.05939	2.5
261.07578	5.6
262.53244	1.4
271.05963	6.4
289.06973	2.5
301.17758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Isookanin
Peak:m/z	Relative Intensity
51.63379	0.7
53.03929	1.2
53.79513	0.7
55.01858	1.0
55.22260	0.7
55.67886	0.6
56.96556	3.0
57.07062	0.7
65.03927	12.5
67.05485	4.9
68.99777	5.2
72.08121	1.7
73.00622	0.8
79.05464	3.5
81.03397	8.8
81.07028	3.6
83.04967	1.5
85.02890	1.0
89.03894	5.1
91.05471	1.0
93.03382	10.7
95.04957	7.4
103.05467	1.3
105.03384	1.4
105.74139	0.9
107.04942	10.8
109.02850	0.9
111.04433	61.5
116.98606	1.5
117.03396	3.1
121.02817	1.3
123.04408	87.5
127.03878	17.9
127.07556	3.1
129.07001	0.9
131.04898	6.2
134.99644	1.1
135.04395	100.0
137.02370	6.6
137.03255	0.9
139.03891	45.4
147.04385	1.3
147.08083	0.9
149.02336	9.3
149.06015	3.7
151.03879	21.4
155.04704	0.9
157.06499	1.4
159.04428	1.4
163.03905	15.6
169.06444	1.8
173.05949	4.7
177.05379	1.6
179.03380	2.0
183.04318	0.9
185.05898	1.3
197.05882	1.9
201.05426	1.8
205.03706	0.9
213.05449	3.6
215.07013	1.6
223.12466	0.9
229.04883	1.1
231.06442	5.2
241.04788	1.2
243.06500	1.5
247.05571	1.1
257.70926	0.8
259.06006	3.2
261.07544	6.5
271.05917	7.2
289.07047	5.1
289.12564	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	288.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06317	0.4
54.98258	0.4
57.07067	18.7
59.73474	0.5
63.04481	0.4
66.18561	0.4
70.06200	0.9
70.06578	20.9
71.08617	7.1
85.10156	2.3
88.07614	26.9
95.78008	0.4
102.09171	5.6
106.08652	16.2
116.07108	0.9
145.18762	0.5
174.76091	0.5
244.26294	0.6
270.27853	7.4
288.28918	100.0
289.29285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.44536	1.2
55.01861	1.5
55.05489	1.1
56.96556	2.0
65.03924	11.6
67.05480	5.1
68.99773	7.8
69.03403	2.5
69.07049	2.8
79.05470	5.5
81.03378	7.2
83.04974	1.4
85.02924	1.1
89.03888	10.8
91.05431	2.5
93.03381	11.2
95.04936	6.8
95.86817	1.2
97.02842	2.6
98.97542	2.2
103.05384	2.2
105.06992	1.4
105.60889	1.1
107.04935	28.9
111.00808	1.5
111.04431	59.8
117.03349	6.1
119.01907	1.3
121.02863	8.7
121.03584	1.2
123.04398	80.7
123.05292	2.8
127.03889	13.4
131.04886	6.0
135.04393	100.0
137.02257	4.1
139.03874	40.4
141.06984	1.9
145.02823	6.2
145.06416	1.6
147.04292	1.6
147.11676	1.5
149.02327	30.2
149.05991	1.9
150.03104	1.4
151.03864	17.2
153.01813	55.6
163.03876	33.7
164.04202	6.4
167.03394	2.2
169.06445	5.0
171.02866	6.8
173.05811	1.7
174.91876	1.3
185.05963	1.6
189.12802	2.0
197.05943	6.9
198.15154	1.3
201.05479	1.3
205.00253	1.9
215.07010	27.0
217.26106	1.3
231.06485	2.5
241.04774	1.4
243.06471	16.4
259.06000	1.6
261.07483	5.7
271.05942	11.8
289.06979	10.4
289.11868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.96547	0.5
57.03419	1.3
59.95624	0.6
61.02906	2.8
65.03900	0.6
69.03418	7.3
71.04980	0.6
72.08151	7.2
79.05463	0.7
81.03394	2.5
81.07076	0.6
85.02894	24.0
86.09694	7.9
91.05463	100.0
97.02871	12.9
98.97552	0.9
100.60918	0.5
108.06744	0.6
108.08691	0.6
109.02871	2.3
111.04389	0.7
116.98605	0.7
123.04429	1.5
127.03901	3.1
129.10223	1.3
135.04404	3.1
137.02275	2.6
137.05957	1.0
139.03885	1.3
143.08524	1.1
144.43214	0.6
145.04962	3.8
163.03932	1.3
175.07532	1.1
180.08661	1.0
217.08595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.10801	8.7
53.25728	8.5
55.05496	37.0
57.07066	25.3
67.05495	40.8
69.03455	13.7
69.07059	16.4
79.05484	44.4
81.07039	45.0
91.05472	63.7
92.08649	20.3
92.51814	9.9
92.64075	10.9
93.07032	65.4
95.04961	41.8
95.08585	84.2
97.06487	13.7
104.41804	8.4
105.07023	81.1
107.08576	78.2
109.06493	18.0
109.10162	24.4
117.07017	14.5
119.08530	100.0
121.10136	55.2
129.07018	46.4
131.08533	75.0
133.10129	59.6
142.07761	12.7
143.08592	49.5
145.10138	62.8
147.08054	14.8
147.11722	15.2
149.09607	12.3
155.08458	11.8
156.09381	11.7
157.10133	78.8
158.10870	14.2
159.11664	83.0
161.13264	16.3
165.07108	12.7
169.10144	12.1
170.10855	19.1
171.11694	63.8
173.13210	47.7
185.13152	23.0
187.11258	12.9
187.14816	13.6
189.12807	10.6
195.11781	15.3
199.14903	11.7
213.12692	52.0
269.18982	73.3
279.58810	11.9
287.19977	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	82.3
57.06806	2.8
57.07071	44.3
58.89289	1.3
60.89995	1.4
67.05480	3.4
69.07058	100.0
69.84638	1.8
71.08617	18.7
81.07042	2.9
83.08611	62.4
85.10172	13.1
97.09537	1.7
97.10152	49.3
110.91547	1.5
111.11691	14.6
125.13303	3.4
135.74402	1.9
160.74141	1.6
172.27412	1.8
177.04984	2.0
193.50433	1.7
237.50902	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	288.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01863	0.9
55.05509	0.7
57.03416	2.8
60.62421	0.5
61.02908	2.7
65.03922	1.1
69.03416	6.5
71.01344	0.5
72.08143	6.1
73.02892	0.8
77.78979	0.4
80.57452	0.4
81.03393	3.6
85.02888	23.4
86.09688	5.6
87.04414	0.6
87.17345	0.5
91.05460	100.0
97.02870	16.9
98.97555	0.7
99.04408	1.0
99.09727	0.5
105.07019	0.6
107.04961	0.5
109.02871	2.2
111.04402	1.8
112.26547	0.5
112.84406	0.5
115.03912	2.3
116.98538	0.7
117.07027	0.8
119.50718	0.5
123.04381	2.3
126.57859	0.6
127.03921	3.8
129.07027	0.7
129.10266	0.9
133.06474	0.7
135.04376	3.5
137.02303	1.0
137.05954	1.2
139.03894	0.6
143.08527	0.6
145.04964	4.9
145.06462	0.6
151.03986	0.6
157.13333	1.1
163.03874	0.8
175.07471	0.6
177.00764	0.5
183.44708	0.6
217.08609	0.9
305.54166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
69.03403	1.5
79.05462	2.4
85.02889	1.6
91.05441	4.0
98.97572	2.2
105.03371	1.4
105.07030	7.7
106.07351	4.5
109.06511	2.0
116.20668	1.0
116.98569	1.3
119.04128	1.0
119.04956	5.2
119.37569	0.9
120.05228	1.7
123.08046	1.3
125.05733	1.6
133.06461	8.3
134.06775	4.6
137.05943	2.0
146.69405	1.0
147.04361	1.2
147.08047	1.4
148.04723	1.3
151.07507	1.2
152.07901	1.3
159.08008	1.8
161.05962	11.9
162.06287	13.5
163.06972	1.2
182.52519	1.0
185.04161	29.1
187.07536	1.9
188.07866	5.5
205.08446	1.2
206.08844	2.0
223.09633	2.6
224.09952	4.7
287.10962	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58315	2.7
54.82051	2.4
55.05505	6.4
57.07072	6.7
62.96276	2.8
64.25092	2.9
66.47794	3.0
66.96295	3.1
67.05483	6.0
68.89582	2.7
72.08145	21.1
79.05503	13.9
80.42042	3.6
81.07049	14.9
82.46333	2.9
86.09654	3.2
90.09175	15.4
91.05462	14.1
93.07036	14.3
95.04996	3.6
95.08598	18.4
97.06499	4.9
105.07030	12.0
107.08562	4.1
119.08561	6.8
121.10111	5.2
123.08068	19.0
127.89022	3.1
135.08041	16.6
142.07703	3.3
149.09630	4.1
151.07518	100.0
151.08633	5.8
161.06081	3.3
165.09193	4.8
173.09677	4.9
175.07518	6.5
185.09732	4.7
188.08331	7.1
189.09123	13.8
191.10619	7.9
199.07445	4.0
199.11220	3.5
201.09081	4.8
203.10695	4.2
211.11153	5.8
214.09911	20.3
226.09859	5.3
229.12178	34.8
231.10095	27.6
241.12236	5.3
269.15411	5.7
286.30954	43.6
287.16455	19.8
287.19727	3.8
287.31329	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	287.2002
Annotation	Cannabidivarin
Peak:m/z	Relative Intensity
50.71086	11.0
55.15422	12.3
67.05474	25.2
69.07033	88.1
81.07004	29.5
88.33267	12.8
94.34013	14.2
95.08585	35.4
105.06992	32.1
107.08563	18.2
109.10110	27.7
110.09123	14.2
110.60368	14.9
119.08550	70.8
133.10117	21.1
143.08554	23.4
145.10066	60.3
147.11624	24.1
161.13155	21.3
175.14700	15.7
190.73701	14.1
201.16420	28.1
266.22800	13.7
287.19992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
54.81935	4.8
55.05503	23.9
57.07070	9.9
67.05489	60.7
69.03409	9.6
69.07063	26.2
79.05476	40.9
81.07047	42.2
85.06541	6.4
91.05452	52.9
93.07018	55.1
95.04951	55.3
95.08592	65.3
97.06516	8.1
105.07007	66.0
107.08557	72.4
109.06512	13.2
109.10165	13.1
115.05459	7.9
117.06981	23.5
119.08548	72.4
121.10098	53.0
123.11729	6.8
128.06187	10.3
129.07011	24.1
131.08527	56.3
133.10091	50.5
141.06976	8.3
142.07771	30.1
143.08534	66.0
144.09311	13.0
145.10104	62.7
147.07971	10.8
147.11693	36.7
149.09615	9.5
155.08574	10.4
156.09323	40.5
157.10106	68.9
158.10872	24.4
159.11681	54.4
160.12399	6.4
160.63469	5.5
161.13200	12.2
165.07004	7.7
169.10114	11.9
170.10901	33.7
171.11656	48.2
172.12297	7.7
173.13216	61.5
175.11197	6.7
180.09334	7.4
183.07964	7.8
183.11691	11.3
185.13203	38.1
186.13985	12.6
187.11119	11.5
187.14790	14.0
189.12680	8.3
191.14255	7.7
195.11644	22.5
199.11275	6.9
199.14803	9.7
203.14397	7.7
205.15863	6.6
211.14680	8.7
213.12787	33.9
219.17319	8.2
221.13358	8.3
241.19458	7.4
254.55360	5.9
269.18988	49.0
275.45840	6.3
287.19995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03919	0.2
55.32993	0.2
62.49583	0.2
65.03936	0.3
67.01820	0.3
68.99782	3.1
69.03400	0.4
71.67502	0.2
79.05465	1.0
79.28141	0.2
95.04946	0.4
95.40327	0.2
100.88901	0.3
105.03359	1.1
107.04937	2.0
109.02882	1.3
111.00777	1.9
111.04422	0.6
121.02839	10.8
121.03814	0.4
127.03864	0.3
129.07019	0.6
133.02831	1.4
135.04420	0.5
137.02304	3.4
141.06863	0.4
145.06438	1.2
147.04410	1.9
153.01813	17.9
157.06464	2.1
161.05931	0.5
165.01817	6.6
171.04424	1.3
183.02850	2.9
185.06027	1.8
189.05516	0.3
199.03802	0.3
203.07034	0.4
213.05464	4.5
216.04250	0.3
229.04863	0.5
231.06519	2.3
241.04881	2.3
258.05206	3.5
259.06024	1.1
268.82944	0.3
269.04434	0.3
287.05457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.39899	0.4
54.81693	0.6
55.01875	0.7
55.05487	0.9
56.96547	3.3
57.03444	0.5
63.82359	0.4
67.05487	2.6
68.99769	3.1
69.03410	0.7
69.07049	0.6
71.71290	0.5
72.86209	0.5
79.05472	2.8
81.03401	0.7
81.07022	2.3
83.08642	0.7
83.41382	0.4
84.95973	0.5
91.04886	0.5
91.05430	2.0
93.07012	1.2
95.04952	1.0
95.08582	3.1
97.02862	0.7
97.06517	0.8
97.73776	0.5
98.12858	0.4
98.97567	4.1
105.03416	1.0
107.04932	6.5
107.08593	0.6
109.02874	1.9
109.10129	0.8
111.00792	2.3
111.04398	0.9
115.05429	0.7
116.98605	1.2
121.02031	0.9
121.02850	11.2
121.10134	1.0
123.04363	0.6
128.98579	0.7
131.08533	0.7
133.02794	1.1
134.12431	0.5
134.99661	0.8
135.04373	3.7
137.02322	2.9
145.06395	0.6
147.04356	3.5
153.01811	19.7
157.06464	2.4
161.05875	0.5
165.01784	4.7
171.04362	0.5
177.00720	0.8
183.02803	2.4
185.05980	1.9
189.05464	0.6
213.05373	4.8
231.06432	1.2
238.22639	0.5
241.04887	2.2
245.08105	2.2
251.20120	0.5
258.05179	3.1
259.06094	0.6
287.05450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.9565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82177	2.3
57.58998	1.9
61.02939	2.6
85.02901	12.3
94.92987	28.1
97.02916	3.9
104.99256	4.2
112.89599	4.0
114.52056	2.4
114.89391	4.1
118.60995	2.7
124.03935	100.0
124.30785	2.2
125.04250	17.8
136.93971	2.7
142.19620	2.1
176.93491	41.3
188.93507	4.3
212.85144	5.1
240.51639	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	287.0543
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03925	0.4
54.82060	0.4
55.01848	0.9
55.05500	0.7
55.98782	0.3
56.96547	1.9
65.03918	0.6
67.01860	0.8
67.05499	0.6
68.99782	4.4
69.03409	0.7
69.07036	0.4
70.06586	0.3
70.66438	0.3
71.04970	0.7
74.93365	0.3
75.60030	0.3
79.05468	2.5
81.03388	0.6
81.07037	1.6
83.08575	0.4
89.03890	2.6
91.05476	1.4
93.07052	0.5
95.04964	0.7
95.08587	1.5
96.26373	0.3
97.06507	3.5
98.97578	2.7
104.02935	0.4
105.03373	4.9
105.07012	1.7
107.04945	2.4
107.08556	0.7
109.02875	0.6
109.10140	0.8
111.00786	0.8
115.05428	0.7
116.98596	1.9
117.03344	0.5
117.07014	0.5
119.08515	0.5
121.02844	3.8
121.06474	0.6
123.00799	0.5
123.04431	0.5
125.62994	0.3
126.12788	0.8
128.06244	0.4
129.06979	0.7
131.04889	0.6
131.08615	0.4
133.02812	0.7
134.99663	0.8
135.04414	2.9
137.02333	1.6
137.05974	0.4
141.06982	1.9
143.04869	0.4
145.06470	1.6
146.99626	0.5
147.04391	2.1
149.02333	6.7
151.03893	0.4
153.01814	42.8
155.08583	0.5
157.06479	3.8
159.11711	0.6
161.01164	0.5
161.02310	4.7
161.06000	0.6
163.03889	1.5
165.01855	2.5
166.72295	0.4
167.08714	0.5
169.06488	0.5
170.35164	0.3
171.03000	0.4
171.04391	1.4
175.03864	1.9
175.07481	0.8
177.00676	0.6
179.03387	0.6
183.02910	0.8
185.05998	3.3
188.04698	0.4
189.05368	1.3
191.03369	1.7
197.05975	0.6
199.03857	0.7
199.14902	0.4
201.05406	0.6
203.03432	0.5
203.06999	3.3
211.14801	0.3
213.05426	10.8
216.04164	1.9
217.04941	2.9
219.01788	0.5
229.05104	0.4
231.06509	12.6
237.02621	0.5
239.18024	0.5
240.04102	0.5
241.04927	21.2
242.54480	0.4
257.19080	0.5
258.05075	1.3
259.05963	2.2
267.54999	0.4
269.04407	7.1
287.05453	100.0
287.14200	2.1
288.05844	0.7
308.73166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03923	0.4
68.99775	3.3
71.66910	0.4
73.51958	0.4
79.05471	1.7
84.04465	0.5
92.64085	0.5
95.04922	0.6
105.03367	0.8
107.04940	2.4
109.02898	0.9
111.00780	2.3
111.04426	0.7
121.02854	10.3
133.02832	0.9
135.04375	1.0
137.02333	3.5
145.06496	0.6
147.04384	2.9
153.01820	17.2
157.06477	1.8
165.01796	5.7
171.04543	0.6
171.62798	0.4
183.02901	3.3
185.05946	1.8
213.05443	4.8
231.06502	1.8
241.04791	3.0
258.05228	3.8
259.05969	0.7
269.04462	0.4
287.05453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
51.02583	0.2
52.62311	0.2
53.71589	0.2
55.01852	0.2
56.23463	0.1
56.96558	0.3
65.07471	0.1
68.17273	0.2
69.03408	0.8
69.07048	1.2
70.06568	0.3
70.07378	0.7
72.93762	0.3
73.55896	0.2
74.26838	0.2
75.04428	0.3
76.24011	0.1
80.05006	2.4
80.83211	0.2
81.03404	0.3
85.02888	1.6
87.08070	0.2
87.84646	0.2
88.08395	0.3
90.94786	0.4
95.04966	1.1
96.04480	2.5
97.02867	0.3
98.39643	0.2
98.97592	0.2
112.05106	0.2
122.02711	0.2
123.04403	5.7
124.03934	100.0
132.08069	0.9
134.99605	0.2
146.99655	0.3
149.96107	0.2
163.03864	0.2
165.05432	1.0
188.65335	0.2
194.74611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01869	2.8
55.05499	2.2
56.96552	2.8
59.13701	1.0
59.23470	1.1
67.05464	1.8
71.04964	1.4
72.93744	1.7
79.05466	7.0
81.03412	1.9
81.07052	1.5
83.04945	1.3
85.02886	1.3
90.14249	1.1
90.94791	2.1
91.05462	24.9
93.07034	2.1
95.04943	2.3
98.97575	11.0
102.04635	1.4
103.05444	8.7
105.03384	5.7
105.07013	62.0
107.04932	3.0
107.08606	1.6
109.06499	6.7
115.05408	9.7
116.98643	8.6
118.04142	1.5
119.04917	37.4
121.06486	6.4
123.08012	1.8
124.05257	1.5
128.06233	1.2
130.04135	8.2
131.00142	1.6
131.04913	9.1
131.08505	2.2
133.06468	58.3
134.99628	1.7
136.05067	1.2
137.05971	5.6
143.06017	4.7
144.05696	2.1
145.06465	1.3
146.07243	5.1
147.04413	13.5
147.08060	4.5
149.01190	2.7
149.05946	2.5
149.96033	1.3
151.07513	27.3
158.99626	2.9
159.08025	18.9
161.05951	100.0
162.06755	14.1
163.07500	1.6
167.97119	1.4
175.07492	8.2
177.00658	2.3
179.07004	12.8
180.07700	1.4
187.07516	42.8
191.02248	1.4
205.08575	37.0
219.01836	1.4
223.09601	35.9
224.38304	1.2
237.02448	1.5
244.32481	1.3
244.99472	1.8
251.09055	1.8
269.10175	2.9
287.43820	1.2
306.88464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05497	0.4
57.07069	20.1
58.06580	3.1
62.05790	0.6
62.06082	10.6
67.41680	0.5
71.08617	12.0
85.10136	0.6
87.04430	0.6
100.07556	0.6
156.17471	3.0
170.18900	0.5
174.18489	7.8
212.23689	11.3
230.24759	51.8
241.00537	0.5
268.29700	0.5
271.47546	0.5
286.30988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Retinaldehyde
Peak:m/z	Relative Intensity
53.00296	1.9
55.05509	20.0
64.33771	1.9
67.05504	26.2
69.03392	1.9
69.07062	64.0
71.04990	3.3
79.05477	12.3
81.07041	42.9
83.08603	5.3
91.05465	29.9
91.23517	2.1
93.06580	2.1
93.07044	34.5
95.04942	10.8
95.08589	38.3
97.06512	16.1
97.10168	2.5
105.07014	92.5
107.08585	46.4
109.06520	25.4
109.10143	28.9
117.07009	10.1
119.08565	100.0
119.86724	2.1
121.06467	12.0
121.10114	25.0
123.08053	2.2
123.11697	16.1
123.31729	2.2
131.08542	5.4
133.09169	3.7
133.10112	55.7
135.08009	5.2
135.11647	9.2
135.70683	2.1
137.09587	2.9
143.08522	5.2
145.10092	17.5
146.07230	10.6
147.08092	2.6
147.11674	28.5
149.09529	2.3
155.08635	6.9
157.10112	9.6
159.11684	10.8
161.09579	54.8
161.13237	4.9
169.10031	2.6
171.11674	2.9
173.13231	3.8
175.14810	52.1
177.16400	5.3
182.10901	2.3
183.11691	4.1
185.13249	3.3
189.16389	2.5
211.14746	3.8
255.01102	2.4
267.20908	2.9
285.22064	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	286.092
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03933	0.8
55.01866	0.5
56.89099	0.2
57.03423	1.3
59.04992	0.2
61.02922	2.6
62.06058	0.2
65.37874	0.2
69.03420	4.4
70.06578	3.2
71.04950	0.7
73.02893	0.5
76.55116	0.2
80.05005	1.8
81.03403	2.1
85.02890	12.0
87.04443	1.0
89.06018	0.3
90.57514	0.2
91.03928	0.3
96.04451	1.0
97.02869	3.4
99.04438	0.5
107.07056	0.4
109.02878	0.9
112.07593	1.8
124.03931	100.0
125.04255	0.3
126.23521	0.3
126.25612	0.2
127.03881	1.3
140.07034	0.8
145.04971	1.4
156.79901	0.2
286.09152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.19246	0.9
54.81823	1.1
55.05494	0.9
57.03424	6.7
57.07066	2.0
59.04991	8.4
61.02918	12.2
69.03418	67.5
69.07060	1.7
71.04964	2.5
72.84279	1.1
77.11631	0.9
81.03406	11.2
85.02889	53.5
85.06525	2.0
87.04451	83.8
87.59459	0.9
90.70126	0.9
92.09412	2.2
94.77531	1.1
95.06068	6.4
97.02911	1.8
99.03941	1.2
99.04437	51.7
103.03925	100.0
105.05480	25.3
109.02883	7.3
123.06543	8.2
124.88451	1.0
127.03892	67.2
129.05446	28.1
145.04918	19.8
147.06497	50.2
150.10321	1.0
152.05661	2.4
163.05959	9.1
178.09851	1.2
213.07599	6.9
231.08673	5.8
249.09662	41.9
251.91545	1.2
307.03918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99410	1.1
54.11707	1.2
55.05497	1.3
56.96554	2.1
57.07061	7.6
65.83949	1.5
69.03408	3.6
71.08603	2.6
73.02898	2.5
85.02888	5.7
94.23892	1.4
95.04974	2.0
97.02864	2.5
98.97548	6.3
116.98583	2.5
119.04921	2.5
121.06500	2.3
123.04160	12.0
135.04323	1.9
149.05972	8.1
151.03922	31.5
151.05070	2.6
161.01190	2.0
163.03894	6.7
167.06973	2.0
185.04185	37.5
193.04988	1.8
197.09450	1.4
239.05406	2.3
285.09409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.00296	1.4
53.03939	5.7
54.81907	1.7
55.01863	1.6
55.05312	1.1
55.05513	17.9
57.03430	1.6
57.07031	1.6
63.12952	1.3
67.05496	34.0
69.03418	11.3
69.07056	15.0
69.30573	1.3
71.04984	19.9
77.41687	1.5
79.05479	32.4
81.07043	61.0
83.08580	1.5
84.06039	1.4
91.05469	50.1
93.07031	59.5
95.04957	24.4
95.08587	23.5
97.06504	8.4
103.05468	3.3
105.07021	100.0
107.08587	42.2
109.06524	11.0
109.10141	21.3
115.05447	6.2
116.06226	2.4
117.07007	21.5
119.08569	61.6
121.06478	9.7
121.10130	64.0
123.08056	9.9
123.11709	3.1
125.09666	1.7
128.06200	9.0
129.06985	15.1
130.07770	19.0
131.08549	40.8
133.07655	2.0
133.10117	43.3
135.07950	5.1
135.11679	10.8
141.06984	6.4
142.07777	8.7
143.08562	32.0
144.09331	9.1
145.06340	1.6
145.10121	58.1
146.07292	2.5
147.08025	2.0
147.11647	9.0
155.08549	3.0
156.09343	3.1
157.10132	22.2
158.10878	15.5
159.11626	11.4
161.09584	20.4
161.13255	1.7
163.11182	3.4
165.06970	1.8
167.08405	1.8
169.10167	3.4
170.10881	2.4
171.11665	12.4
172.12381	1.6
173.13234	41.4
175.14738	2.4
179.08537	6.4
180.09337	3.2
181.10114	3.4
183.11717	3.4
185.13202	6.9
187.11179	1.6
187.14784	7.5
193.10187	2.1
194.10887	1.8
195.11682	3.4
197.13293	3.4
199.14848	2.4
209.13219	7.2
213.16377	1.9
223.14865	2.0
255.21158	2.9
265.19403	4.9
283.20490	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01855	3.3
57.03417	5.9
57.07061	1.9
61.02917	17.8
69.03074	1.2
69.03416	27.8
71.04976	2.2
73.02902	6.6
73.23028	0.8
78.91989	0.8
81.03394	13.7
85.02892	100.0
85.06531	1.8
87.04432	4.4
91.03958	7.6
97.02873	29.9
98.29077	1.0
99.04435	5.0
103.07574	1.6
105.05524	0.9
109.02859	8.3
126.62283	0.9
127.03905	16.3
137.02368	0.9
145.04950	24.7
163.05988	5.6
180.08665	7.5
193.74475	1.0
234.96626	1.0
248.21123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18757	1.1
56.56330	1.1
57.03223	1.0
57.03429	15.5
57.07051	4.9
59.04992	1.2
61.02901	3.0
67.05496	2.1
69.03423	11.0
81.03385	6.8
81.75064	1.1
85.02893	30.6
85.06070	1.4
85.06537	21.7
86.03214	5.4
86.06870	2.0
87.04446	1.4
92.09352	1.4
97.02847	7.2
98.97559	5.2
101.05943	1.5
103.07561	34.4
104.07892	7.2
108.80147	1.3
109.02873	1.2
111.04395	1.1
119.03554	1.6
121.02869	2.3
127.03899	3.1
136.06163	78.8
137.04889	2.0
137.06624	22.8
145.04947	3.0
158.41469	1.3
186.31033	1.4
283.07834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59583	1.4
57.22620	1.7
68.40913	1.7
81.03401	2.3
85.02898	2.7
85.06531	3.5
89.65921	1.6
91.87266	2.1
103.07562	6.4
123.93767	1.8
172.66466	1.8
218.35411	1.5
249.10701	1.6
283.07843	100.0
286.19058	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	283.2054
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
50.77546	1.1
51.91954	1.0
53.00317	1.2
53.03130	1.1
53.03946	3.5
54.81499	1.5
55.01868	2.0
55.05508	19.2
57.03436	2.4
57.07064	1.7
65.03928	1.3
67.05491	27.1
69.03417	9.9
69.07058	11.7
71.04983	28.0
76.63261	1.3
77.64896	1.2
79.05471	35.0
81.07037	70.6
82.03252	1.3
83.04958	2.9
83.08612	2.8
91.05461	38.3
91.38127	1.6
93.07027	52.5
95.04950	19.3
95.08585	15.2
97.06517	3.4
103.05476	6.1
105.07017	100.0
107.08585	43.2
109.06509	7.4
109.10134	13.2
115.05439	5.5
116.06218	2.6
117.06989	24.2
119.06055	1.5
119.08570	44.6
121.06513	8.5
121.10125	81.9
123.08051	9.8
123.11682	3.0
128.06177	12.0
129.06972	9.8
130.07777	21.5
131.08543	40.8
133.06512	1.6
133.07588	1.9
133.10112	39.0
133.11034	2.3
135.08072	6.8
135.11711	6.8
137.09549	1.4
142.07811	6.8
143.08542	24.7
144.09346	6.2
145.06479	1.8
145.10114	54.1
146.07272	5.6
147.08069	2.2
147.11722	5.4
155.08534	2.2
156.09389	2.3
157.10118	12.4
158.10829	10.2
159.08044	1.7
159.11636	10.3
161.09555	21.6
163.11203	3.0
168.09242	1.7
169.10208	2.0
171.11688	5.9
173.13223	30.5
179.08572	1.9
181.10078	2.9
185.13205	3.1
187.14888	3.2
193.10304	2.2
194.10854	2.4
195.11691	3.3
197.13281	1.6
199.14867	2.3
209.13242	3.4
223.14806	3.0
225.62187	1.6
255.20953	2.2
265.19492	6.7
283.20493	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	281.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
54.81824	2.0
55.05505	1.8
57.03425	4.3
57.07071	100.0
61.02927	2.5
63.04479	38.4
69.03428	13.2
71.04989	1.9
76.56243	1.6
81.03393	10.5
85.02892	40.1
92.08703	2.3
93.07006	1.9
97.02867	11.6
109.02879	3.3
111.04427	2.4
116.98683	2.6
119.10696	37.3
127.03893	3.1
136.27916	2.0
137.02342	19.9
143.00156	3.3
144.53587	1.9
145.05022	2.0
147.04381	2.2
163.03870	10.4
204.77498	1.9
277.00888	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03939	9.6
55.01864	7.5
55.05266	2.5
55.05509	45.3
57.03431	46.7
65.03929	3.4
67.05138	3.2
67.05496	92.7
69.03416	2.2
69.07043	15.3
71.04982	3.4
79.05479	100.0
81.03403	21.6
81.07043	69.7
83.04972	43.6
83.08617	6.0
91.04887	2.8
91.05465	81.2
93.07024	63.8
95.04948	32.2
95.08588	36.8
97.06519	5.6
97.10168	2.7
98.77118	1.5
98.97615	1.9
105.04544	1.9
105.07021	60.1
107.04934	9.2
107.08582	17.8
109.06518	9.0
109.10156	8.1
115.05432	1.5
117.06998	11.5
119.08562	28.8
121.10115	3.0
123.08058	3.0
128.06236	2.5
129.07002	16.7
133.10098	11.7
135.08028	1.8
143.08556	11.4
145.10117	8.8
147.11697	25.2
151.02798	1.8
155.21898	1.4
161.09584	3.0
161.13194	9.8
171.11673	18.5
189.12660	2.3
207.13843	12.4
281.13959	2.6
281.17407	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.82059	1.4
53.03925	8.1
54.81560	1.4
55.01851	7.6
55.05263	2.5
55.05506	46.5
57.03428	40.0
65.03924	3.3
67.05141	3.5
67.05492	90.5
69.03407	3.7
69.07056	17.3
71.04971	2.6
79.03389	1.6
79.05473	100.0
81.03402	23.6
81.07037	72.6
82.66192	1.6
82.97649	1.7
83.04961	49.4
83.08592	7.0
91.05462	84.1
93.07025	63.1
95.04944	31.7
95.08101	1.8
95.08602	33.6
97.06489	3.5
97.10114	2.6
98.97547	1.8
105.07018	47.7
107.04932	11.3
107.08572	23.9
109.06492	10.7
109.10136	9.9
115.05461	1.7
116.98560	3.1
117.06988	10.8
119.08561	30.3
121.06434	1.7
121.10133	3.5
123.08069	3.5
129.06998	16.9
131.08501	3.6
133.10112	10.8
143.08537	9.2
145.10115	8.7
147.08127	2.2
147.11673	25.9
161.09587	3.6
161.13239	7.4
171.11662	19.5
189.12685	3.3
207.13824	8.6
218.41512	2.0
239.70660	2.0
281.17429	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58656	6.5
56.96558	14.1
64.33068	10.0
98.97574	100.0
109.85098	8.7
116.98626	99.3
134.09557	10.3
134.99643	73.7
135.07980	12.2
153.00632	10.2
193.90819	7.4
225.56042	8.5
252.47786	8.6
258.99808	12.3
277.00760	62.5
282.22220	11.0
297.11536	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	281.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01858	0.9
55.05506	0.3
57.03437	0.3
60.91559	0.2
65.03931	3.3
67.05512	0.2
69.03419	3.4
70.06568	0.2
71.01336	1.2
71.04974	0.6
71.87507	0.2
80.37047	0.2
81.03400	18.4
83.08606	0.2
83.13397	0.2
85.02919	0.8
93.03388	2.1
97.02869	8.3
99.04432	1.7
101.09648	0.4
104.96975	0.2
105.06997	0.2
107.01311	1.2
109.02859	7.0
111.04429	9.6
124.92135	0.2
127.03905	6.2
137.02333	100.0
137.03412	11.6
149.02328	1.2
150.02647	1.0
151.02814	0.3
155.03349	4.8
281.06516	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	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81511	0.4
55.05509	4.4
56.05010	0.6
66.43281	0.4
74.06061	2.6
79.05491	0.5
80.86271	0.4
81.16440	0.5
83.08595	5.3
85.02887	2.2
88.03978	2.4
91.05473	2.3
94.04035	0.4
98.97535	0.5
101.09622	2.1
101.96873	0.5
102.05531	0.8
103.05448	1.0
105.07026	0.8
119.03542	5.6
119.10683	0.7
120.06595	3.6
120.08089	10.4
121.02843	0.6
127.03885	0.4
130.06522	1.1
136.06169	100.0
137.02322	0.9
137.04541	4.2
137.05948	0.9
149.02324	2.4
149.05951	0.7
150.02708	2.0
162.04083	52.4
163.03871	0.9
166.08678	0.7
200.07065	2.1
235.10721	0.6
281.09790	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	279.1073
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
52.62589	1.0
53.03933	7.5
55.01869	1.2
55.05501	14.0
57.03427	19.0
61.02904	4.8
61.29249	1.2
61.59351	1.0
69.03416	100.0
70.06567	1.4
71.01350	1.7
71.04972	34.9
81.03397	25.4
81.36282	1.1
82.44820	1.2
85.02889	29.6
87.04446	7.1
96.94801	1.3
97.02841	2.0
98.06023	1.5
98.97594	2.3
99.04436	80.5
103.03922	40.2
109.02878	6.2
116.07073	2.0
117.05471	60.7
127.03891	26.8
128.98494	1.2
134.05998	5.7
135.06471	2.0
145.04930	4.5
149.02316	26.2
152.07111	4.8
159.06500	30.2
177.07530	5.6
198.09842	1.8
243.08513	2.0
261.09570	1.6
299.96173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05509	1.1
56.05027	1.4
57.03428	2.9
57.07064	6.5
60.04514	29.6
61.02918	1.4
61.04037	2.8
67.76403	0.6
69.03415	11.7
70.06567	0.9
72.04493	1.3
73.02901	1.0
80.05015	0.8
81.03398	3.7
84.04497	7.0
85.02892	37.9
91.05466	0.8
92.08680	0.9
96.04465	8.6
96.41597	0.7
97.02874	35.0
98.06025	7.8
98.97552	4.0
99.04440	1.0
99.08089	1.4
101.98148	0.7
103.03917	2.7
108.04461	1.4
109.02862	3.7
111.60857	0.7
115.03896	6.6
116.98634	1.4
117.10236	3.5
119.04929	1.7
121.02834	6.7
126.05503	3.4
127.03889	10.8
134.99654	1.4
144.06540	20.7
145.04956	5.3
147.04395	5.9
148.87155	0.7
149.02322	100.0
162.07597	24.2
163.06059	0.9
167.03337	1.1
172.95174	1.0
177.00685	1.1
180.08629	15.2
187.07561	3.0
189.00613	0.9
205.08522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.04706	0.3
55.01860	1.4
55.05507	6.6
56.96541	0.4
57.03429	2.1
59.04992	8.9
61.02910	3.4
69.03412	6.3
71.04977	0.6
73.02897	0.8
75.28690	0.3
81.03404	2.6
82.86253	0.3
83.01344	0.5
83.04967	78.8
84.29927	0.3
84.45152	0.3
85.02890	20.9
87.04437	0.5
91.03950	0.4
92.64609	0.4
93.41147	0.3
97.02876	6.1
99.04433	0.8
101.06001	100.0
106.33532	0.4
107.92731	0.3
109.02880	1.8
127.03879	3.4
132.28987	0.3
139.47816	0.4
145.04906	2.6
149.02339	2.4
150.02649	1.4
213.86876	0.4
219.22289	0.4
227.09079	0.4
245.10155	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	280.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
54.82714	1.5
55.01866	1.7
55.05508	18.5
57.03423	1.8
57.07056	1.8
57.17245	1.4
59.04982	2.1
61.02892	2.1
69.03417	8.1
71.04987	2.2
71.32664	1.5
73.02962	1.7
73.06522	2.6
77.12782	1.4
81.03424	3.1
83.04968	100.0
85.02888	21.6
85.06540	2.9
92.08647	2.0
95.04959	1.8
97.02856	12.6
97.06568	2.1
99.04440	6.7
100.07594	2.1
101.06005	11.9
102.96840	2.5
107.78477	1.6
109.02888	2.2
118.08667	2.0
121.02840	2.7
127.03911	3.0
145.04907	2.1
149.02339	30.6
149.05937	1.6
150.02686	17.4
163.03893	3.1
167.07027	2.8
182.39632	1.5
227.09131	3.1
280.13876	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01860	1.3
57.03430	5.0
57.07035	0.5
59.77275	0.3
61.02913	5.3
62.24729	0.3
64.33533	0.3
69.03416	16.3
69.89253	0.3
70.06583	1.3
71.04974	2.4
73.02875	2.5
76.56016	0.4
77.21838	0.3
81.03408	5.6
84.04464	0.5
85.02892	58.6
87.04449	1.4
91.03934	1.8
92.08658	0.3
97.02869	18.9
97.03495	0.6
98.98446	100.0
99.04439	6.0
101.02371	0.4
103.03924	1.7
109.02872	5.2
115.03925	1.8
116.99512	2.9
117.05436	3.1
121.02872	0.7
123.76841	0.3
127.03896	11.5
130.38466	0.3
136.93100	0.5
144.30302	0.4
145.04944	8.4
149.02325	12.7
149.03470	0.7
154.94160	0.7
159.06644	1.0
163.05989	3.4
172.95209	1.6
190.96198	0.6
225.01573	0.5
247.78401	0.4
261.03787	1.3
275.06042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
54.11222	0.5
54.42654	0.6
55.01865	1.5
57.03421	3.8
57.86299	0.5
61.02912	4.4
62.75636	0.6
67.05494	0.9
68.51949	0.6
69.03424	8.0
71.04970	1.0
73.02905	2.7
79.05481	0.9
81.03400	100.0
83.04977	4.0
85.02893	32.8
87.04442	0.8
87.88871	0.6
91.03963	0.7
91.05460	2.9
95.04953	20.4
97.02869	5.8
97.64031	0.7
99.04435	2.6
103.03932	1.5
105.07008	1.3
107.04935	2.9
109.02878	1.3
111.04442	0.7
111.45672	0.7
119.04910	1.5
121.02854	1.7
123.04404	12.2
127.03900	6.3
133.06447	1.4
135.04407	1.5
145.04968	5.9
147.04387	3.8
161.05983	2.7
163.06017	1.1
165.05440	1.1
173.50072	0.7
173.62680	0.7
207.06401	2.5
218.92525	0.7
225.07587	3.5
243.08635	0.9
278.30487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	13.7
60.08150	2.7
61.04030	2.3
76.19802	1.1
81.07034	1.8
86.06049	14.2
91.05450	1.3
92.04994	1.8
94.06547	100.0
95.04966	2.1
96.92361	1.0
103.08715	2.1
120.04459	7.0
137.07048	1.3
149.02333	5.4
166.55362	1.1
179.11765	13.8
196.98457	1.2
222.12335	21.8
232.17923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2113
Annotation	Stenine
Peak:m/z	Relative Intensity
54.68951	0.7
55.05498	4.9
66.61855	0.7
67.05496	1.4
69.07034	1.3
70.06572	0.8
71.08614	24.1
79.05476	1.6
80.05011	0.9
81.07023	1.8
84.07671	0.7
91.05464	3.4
93.07021	4.5
94.06537	6.7
95.08555	1.4
96.08114	1.4
99.08060	6.7
104.99236	1.1
106.06547	1.1
107.08604	1.0
108.08110	8.8
110.09650	1.7
115.56528	0.9
116.38570	0.9
118.06500	1.2
119.08556	1.2
120.08071	7.3
122.06014	1.9
124.07590	10.0
126.09165	8.0
132.08084	4.4
134.09654	4.5
135.10423	3.6
136.07567	1.6
137.08342	1.2
138.09122	56.2
143.10674	7.3
148.11237	6.1
149.02309	1.8
150.09113	4.4
152.06978	1.3
162.12740	1.6
164.10684	8.0
178.12236	6.3
179.13017	4.4
180.13805	30.8
208.17018	1.8
219.00444	1.0
224.16396	12.4
236.16403	18.8
250.21416	0.9
260.20041	6.7
278.21103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03931	1.5
55.05506	22.8
55.30212	1.3
57.07073	1.9
59.50628	1.3
65.03954	1.8
67.05496	28.5
69.07060	15.3
71.05003	1.3
75.42820	1.5
79.05476	75.0
81.07029	26.1
83.08619	3.6
91.05466	37.6
93.07027	100.0
95.04974	11.8
95.08575	17.8
97.10168	2.0
105.04489	1.8
105.07024	12.1
107.08585	33.6
109.10153	3.6
117.07027	2.1
119.08569	9.1
121.10120	25.5
130.18999	1.6
131.08571	2.5
133.10124	6.6
134.28384	1.6
135.11691	25.9
143.08580	2.5
147.11725	2.9
149.13271	7.9
156.81606	1.5
161.41154	1.7
184.25235	1.8
189.05258	2.0
243.61070	1.6
277.21582	29.4
288.91666	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	278.1234
Annotation	Sachaloside V
Peak:m/z	Relative Intensity
53.03946	4.2
55.01864	4.4
55.05510	20.7
56.05037	2.8
57.03443	3.6
61.02914	13.3
63.38239	1.6
67.05499	8.3
68.05017	27.4
69.03416	100.0
69.55647	2.0
70.06577	31.8
71.04970	11.4
73.02901	3.3
80.04997	25.4
81.03399	39.3
82.06567	4.9
83.04959	9.0
84.04493	4.6
84.08127	67.8
84.08610	3.5
85.02890	57.3
96.04469	2.2
97.02877	29.9
98.06030	68.0
98.97532	2.8
99.04433	56.8
100.07586	3.5
102.09159	9.9
103.03890	2.8
109.02867	3.6
114.05518	3.7
115.03925	36.3
116.07072	37.8
116.98566	2.8
117.05492	3.0
127.03889	8.9
130.06487	2.1
130.08632	9.4
131.03397	2.3
142.05005	2.6
145.04938	10.1
163.52165	2.3
172.14604	2.3
202.10767	4.5
232.11754	28.4
243.08533	2.8
278.12210	9.6
285.69745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75227	0.2
59.87606	0.2
98.97543	0.3
104.04977	1.5
119.06042	4.4
128.35954	0.3
134.12706	0.3
144.05557	3.1
145.02777	0.3
146.07114	7.4
162.06543	0.3
164.08163	7.2
172.05008	0.5
174.06593	1.6
189.07700	0.4
190.06082	20.0
192.07622	3.5
199.06123	1.1
200.04546	1.3
217.07172	100.0
218.05576	8.5
233.06432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
53.86688	0.4
55.01854	1.9
55.05507	10.3
56.96546	0.4
57.07069	17.2
65.03926	1.0
67.05498	1.7
69.07060	4.5
70.82602	0.4
73.06541	0.5
79.05458	2.1
81.07043	0.8
89.03889	1.8
91.05459	1.9
93.07029	0.9
95.04950	0.6
95.08583	0.5
97.06507	6.8
105.07040	0.5
107.04974	0.5
109.82790	0.4
111.04388	0.5
115.83327	0.4
117.03373	2.5
118.33165	0.4
121.02833	6.8
121.03732	0.8
121.03865	0.7
129.06950	1.0
131.08528	0.9
133.02802	0.7
134.03612	0.9
134.67496	0.4
135.04378	3.9
135.11684	0.5
143.04900	0.7
145.02849	3.2
149.02325	100.0
149.09370	0.5
159.07858	0.6
161.05972	1.9
163.03876	10.9
167.03397	1.8
173.02301	2.6
175.07495	6.4
191.03369	2.9
203.07002	4.4
215.07005	0.9
217.04932	4.2
235.16792	0.4
244.16298	0.4
259.09628	7.2
266.04361	0.4
277.14343	3.6
294.21625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
54.19912	1.2
55.05505	20.9
57.07071	3.1
63.85760	1.4
65.03918	1.5
67.05493	29.0
68.17747	1.6
69.07049	14.7
71.04957	1.7
79.05480	74.2
81.07037	37.1
83.08598	6.2
84.99226	1.5
91.05460	30.7
93.07026	100.0
95.04948	10.8
95.08578	19.8
105.06996	13.2
107.08581	39.0
108.50829	1.4
109.10175	8.8
117.06997	3.6
119.08569	11.4
120.05757	1.6
121.10112	25.7
128.18307	1.5
131.08531	1.8
133.10117	10.5
134.06406	1.5
135.11678	28.8
147.11655	2.7
149.13272	10.0
157.10115	2.0
159.11667	1.7
199.88176	1.4
241.19518	1.9
277.21558	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48368	0.5
52.33617	0.6
53.00295	1.2
53.03931	0.7
55.01881	0.9
55.61704	0.6
57.03432	2.9
61.02912	4.3
62.62071	0.5
62.95899	0.6
65.07623	0.5
69.03421	45.0
73.02894	1.0
79.27672	0.6
81.03403	3.2
83.51124	0.6
84.04497	2.7
84.08122	1.4
85.02898	25.9
97.02879	84.8
109.02850	0.8
111.54758	0.7
115.03921	100.0
119.01887	1.1
127.03910	3.8
135.06731	0.6
139.01836	2.7
145.04997	1.3
205.02869	2.7
231.00784	4.0
232.10246	0.7
277.08890	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0916
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.00295	2.4
53.03941	0.6
53.28793	0.3
53.46132	0.3
55.01866	0.7
57.03423	2.2
58.97881	0.4
61.02912	1.6
69.03419	40.6
70.08977	0.3
73.02892	0.5
74.66556	0.4
79.70956	0.4
79.78065	0.3
79.96061	0.4
81.03408	2.0
85.02895	13.9
87.04428	0.5
96.04453	0.6
97.02877	72.6
97.77559	0.4
99.04441	0.9
105.01046	0.4
109.02855	0.7
115.03915	100.0
120.46637	0.4
127.03881	2.4
142.08612	2.3
145.04944	0.7
152.60947	0.3
179.42807	0.4
182.77028	0.4
203.02472	0.4
246.28661	0.4
272.91818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1958
Annotation	MGK 264
Peak:m/z	Relative Intensity
51.06176	0.7
55.05494	4.2
56.96541	1.4
57.03408	1.1
59.04978	5.3
65.80561	0.9
67.05486	1.0
69.07034	1.4
79.05476	1.7
81.03398	1.4
81.07026	1.9
83.04957	1.2
85.02845	0.9
89.70679	0.9
91.05463	1.8
93.07021	2.2
97.06499	1.7
105.07053	1.2
106.07373	1.0
111.04379	1.0
117.07047	1.1
118.06523	20.0
119.08520	1.2
119.52823	1.0
132.08034	7.6
133.08824	4.9
134.09593	1.0
145.10207	1.1
146.09631	7.1
153.12741	1.2
173.02400	1.3
176.14316	100.0
177.12776	1.1
186.79201	0.9
195.52969	1.0
227.12601	1.9
246.52536	1.1
258.13226	1.6
259.09509	1.2
276.19522	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65562	0.5
56.96550	10.9
66.32511	0.5
71.95244	0.7
72.39986	0.6
73.29194	0.6
92.09270	1.3
98.97562	100.0
101.00856	3.7
103.00619	0.7
116.98598	79.8
118.72990	0.7
119.01904	27.7
120.01978	4.6
121.01620	8.3
134.99638	47.3
137.02931	12.7
138.03033	2.5
139.02646	4.6
142.03481	8.2
143.03763	0.9
144.03221	1.4
153.00652	7.7
157.03433	0.8
160.04541	3.2
160.91676	0.6
161.02902	2.8
162.98772	0.7
177.00912	9.7
178.00984	4.9
179.00645	10.0
185.02951	0.7
205.02264	0.8
219.01942	6.8
220.02048	1.1
221.01810	5.3
234.99673	0.9
238.95303	0.6
240.95390	0.8
240.98593	3.4
250.99243	10.8
251.49193	5.0
251.99030	1.2
256.96609	14.2
257.96616	6.8
258.96365	16.5
258.99670	32.4
259.96500	3.1
259.99921	1.2
260.95847	1.0
260.99802	2.4
261.02963	17.1
262.03107	11.1
262.49954	1.1
262.99796	2.5
263.02777	18.9
264.02914	3.5
265.02670	0.9
274.97562	6.9
275.97690	3.4
276.97525	8.6
277.00723	72.1
277.07486	3.6
277.97537	0.7
278.01074	2.3
279.01077	1.0
281.97916	0.9
282.99796	0.9
283.99921	2.3
284.99808	4.7
285.99863	1.3
295.08554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96445	0.5
72.17120	0.5
81.75207	0.4
88.67130	0.6
92.08679	1.3
111.75515	0.6
125.26762	0.6
149.74681	0.6
268.90189	0.5
277.08893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.9
69.07054	0.9
70.39847	0.6
71.63406	0.5
77.20443	0.6
79.05453	0.7
81.07049	3.5
87.50185	0.6
92.08717	2.0
93.07018	1.1
93.65408	0.6
95.08587	7.9
106.75880	0.6
109.10168	1.3
111.08065	5.7
120.49778	0.6
121.10145	0.9
123.08054	100.0
123.11669	3.1
137.09576	5.6
137.13326	1.0
152.36072	0.7
263.80798	0.7
275.23700	10.7
275.27704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1076
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
53.03942	13.2
54.81271	0.7
55.01874	4.8
56.05027	1.6
56.96585	0.7
57.03434	5.3
61.02913	6.5
68.05021	19.5
69.03069	1.4
69.03420	24.8
70.03754	1.3
70.06589	1.1
71.04989	3.4
72.08147	1.2
73.02902	3.2
77.01833	0.6
81.03403	10.6
82.03738	0.7
84.04495	8.4
85.02895	28.8
85.74489	0.8
86.06062	1.3
86.09730	0.8
87.04456	1.1
96.04476	100.0
97.02874	13.9
98.97559	1.5
99.04449	1.6
109.02884	3.5
109.46288	0.7
114.05515	27.4
115.03906	2.8
127.03913	4.5
128.04274	0.7
131.24815	0.7
145.05023	1.0
152.96909	0.7
276.10660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03945	3.6
55.01864	16.6
55.05505	18.7
57.07066	4.0
60.38546	3.9
64.17952	3.3
64.33578	3.2
67.05499	24.9
69.07048	16.8
70.06580	6.8
79.05481	34.6
81.03423	4.6
81.07046	36.1
83.08583	4.8
88.07625	5.1
89.87337	4.1
91.05457	56.7
93.07033	19.3
95.04961	5.4
95.08594	18.5
95.30357	3.1
96.48975	3.5
98.07471	4.4
105.07018	100.0
107.04951	16.3
107.08607	6.3
116.08496	4.0
117.07014	15.6
119.08565	41.6
125.17854	4.1
127.03456	3.3
131.08542	13.6
133.10124	42.3
145.10106	15.5
147.11681	8.8
149.09547	7.7
150.64015	3.7
159.11726	5.3
171.90584	4.1
173.13220	4.2
274.27332	27.5
275.20035	51.9
275.27728	17.5
288.55264	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.82467	0.9
52.79790	0.9
53.00290	1.6
53.03936	2.5
53.50727	0.8
55.01878	8.1
55.05261	1.5
55.05508	24.9
56.25220	0.8
57.03423	2.6
57.07065	5.7
58.65167	1.0
63.82175	0.9
65.03917	1.2
67.05496	38.3
69.03410	1.6
69.07056	16.7
70.06565	4.7
71.08624	1.4
77.29517	0.9
79.05477	48.4
81.03431	1.5
81.07043	100.0
83.04960	5.7
83.08608	7.9
88.07615	6.6
91.05469	48.1
93.06487	1.8
93.07030	32.1
95.04961	10.2
95.08591	26.2
97.06512	4.5
102.09155	1.1
103.05457	1.4
105.07019	50.8
107.04956	17.7
107.08571	21.7
109.06510	25.0
109.10156	9.9
111.08072	5.7
116.06271	1.3
117.07014	12.9
117.24019	1.0
119.08569	37.6
121.06501	9.7
121.10136	12.0
123.08047	9.3
123.11684	2.2
129.07024	4.8
130.07689	1.2
131.08542	15.1
133.06490	4.3
133.10133	25.8
135.08037	7.9
135.11687	5.2
137.09587	4.6
137.17294	1.1
139.03893	1.4
143.11288	1.2
145.10107	14.9
147.08081	1.8
147.11665	11.8
149.09633	8.9
149.13255	2.5
151.11171	1.7
155.08495	1.1
157.10133	4.8
159.08083	1.3
159.11646	8.9
161.09520	1.8
161.13280	4.0
163.11142	5.9
165.12790	1.4
169.10109	2.0
171.11758	1.8
173.13245	5.2
173.59447	1.1
175.11179	1.3
177.12796	1.7
183.11662	2.5
183.32086	1.3
185.13377	1.6
187.14789	1.3
191.14325	5.0
199.14690	1.5
201.12682	1.6
215.17911	1.4
239.18085	1.4
246.06627	1.6
247.20570	4.5
256.26285	1.2
257.18994	7.8
259.75693	1.1
274.27319	10.7
275.20032	64.7
275.27753	13.2
295.39743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.4
54.36382	1.1
55.01854	3.4
55.05267	1.6
55.05508	29.4
57.03433	2.0
57.07077	10.3
67.05492	30.9
67.95107	1.3
69.07058	16.2
70.06573	10.9
71.04964	1.9
71.08624	1.6
75.50056	1.1
79.05479	42.6
81.07037	46.1
83.04967	2.5
83.08595	6.9
85.06520	1.8
88.07605	16.5
89.23944	1.4
91.04890	2.9
91.05462	74.6
92.08571	2.5
93.07029	34.2
95.04955	5.7
95.08580	20.7
97.06502	2.7
98.97564	1.6
102.09151	2.9
103.05500	1.5
105.07018	100.0
106.08698	5.1
107.04923	6.3
107.08561	22.4
109.06483	10.7
109.10137	9.8
111.08087	1.9
117.06992	18.4
119.08559	56.5
121.06446	5.9
121.10111	9.8
123.08022	7.5
125.09543	1.5
129.06969	3.4
131.08568	28.1
133.10114	59.3
135.08020	6.9
135.11659	5.3
137.09563	3.0
139.03946	2.2
142.07834	1.7
143.08562	5.4
145.10104	14.7
147.08047	1.8
147.11674	18.6
149.09604	8.4
151.11139	1.3
155.08577	2.0
157.10115	5.7
159.11662	11.1
161.13242	2.4
163.11142	6.1
171.11642	3.3
173.13162	3.4
175.11147	2.3
177.10329	1.6
177.12691	2.3
183.11665	3.2
184.47174	1.5
185.13287	1.6
187.16896	1.7
197.13158	1.9
204.27039	1.3
239.17842	5.2
247.20615	2.1
254.05421	1.7
256.26410	2.3
257.18930	8.4
257.26544	1.8
274.27338	39.6
275.20001	74.5
275.27704	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05502	9.5
57.07067	4.2
67.05493	4.3
69.07054	21.4
70.06575	5.2
77.66375	2.0
78.75283	2.3
79.05490	4.1
81.07057	10.5
88.07615	4.7
91.05452	10.7
93.07015	13.7
95.08587	10.1
105.07001	17.5
107.08577	11.5
111.08064	29.0
117.07003	3.9
119.08567	12.2
121.06507	2.8
121.10128	9.7
122.07222	4.0
122.94592	2.3
123.08067	25.2
131.08539	5.7
133.10150	11.7
135.08034	29.8
135.11641	2.4
137.65987	2.4
145.10100	3.9
147.11690	3.3
149.09535	3.4
158.38589	2.8
159.11685	4.5
161.09692	2.7
163.11172	4.8
173.13168	3.0
176.11958	10.1
181.12196	9.1
191.14268	100.0
257.19022	4.7
274.27374	21.4
275.19974	42.9
275.27631	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	2.6
55.01854	3.0
55.05500	29.1
56.06929	2.7
57.03422	2.8
57.07056	15.0
66.07327	2.4
67.05490	39.1
67.45764	2.4
69.03415	3.1
69.07061	12.5
70.06568	3.7
71.04968	23.7
71.08598	2.8
79.05475	35.5
81.07040	34.8
83.04962	15.9
83.08593	7.0
85.06532	7.1
88.07612	15.3
91.05463	74.1
93.07021	55.5
95.04935	12.8
95.08584	40.1
97.06509	5.1
105.06369	4.7
105.07018	100.0
106.08668	5.4
107.08547	51.6
109.06522	25.6
109.10139	18.0
111.08062	29.4
115.05385	4.0
117.06989	24.4
119.08556	78.7
121.06467	4.6
121.10126	37.9
121.40131	2.6
123.08043	6.3
123.11626	4.4
129.06978	14.7
130.07704	3.6
131.08546	65.8
133.10121	70.2
135.08020	28.0
135.11644	6.2
137.09564	6.2
141.06970	4.5
142.07759	13.7
143.08562	23.1
144.09270	4.3
145.10114	45.6
147.11635	21.4
149.09537	4.5
155.08469	5.4
156.09355	6.2
157.10083	44.0
158.10867	20.5
159.11649	65.0
161.09581	3.0
163.11067	3.2
168.09329	3.9
169.10107	5.6
171.11696	16.4
173.13219	59.4
174.13986	4.5
175.11128	10.1
177.12712	14.6
183.11678	16.8
184.12523	3.3
185.13226	5.0
187.11292	4.7
187.14775	5.1
191.14284	4.7
197.13239	6.2
199.14824	15.7
200.34044	3.2
201.12723	6.8
213.16309	4.3
215.17905	3.2
239.17798	5.6
256.26215	3.2
257.18964	17.7
274.27350	31.8
275.20004	60.2
275.27621	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03931	2.7
55.01868	4.2
55.05506	23.4
57.07054	10.6
61.35572	2.4
67.05490	41.3
69.07062	18.5
70.06562	10.1
71.04990	3.3
79.05482	47.3
81.07029	29.9
82.63394	1.9
83.04943	3.0
83.08581	3.2
85.06500	2.1
86.29697	2.1
86.91782	2.3
88.07594	13.0
91.05462	82.5
93.07034	32.9
95.04944	9.5
95.08584	21.1
102.09162	3.0
105.07018	100.0
106.08592	3.8
107.04919	4.8
107.08571	20.2
109.06481	3.8
109.10132	9.9
115.07590	2.3
117.06998	28.4
119.08561	61.7
121.06485	3.1
121.10144	4.2
131.08537	23.7
133.10110	52.8
137.09587	4.0
145.10088	16.5
147.11690	21.6
149.09573	10.3
157.10057	4.4
159.11691	3.9
161.13217	5.6
168.29366	2.4
257.19077	3.1
274.27380	25.2
275.20013	69.4
275.27618	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.00314	4.5
55.02967	3.6
55.05312	4.3
55.05510	64.9
59.04453	3.4
59.13295	3.9
60.98484	4.0
61.37164	4.2
65.04249	4.0
67.05516	35.6
67.05795	4.1
67.56199	3.8
68.09159	4.2
68.29551	4.3
69.07040	19.4
71.98074	3.7
79.05484	35.7
81.07054	43.1
83.04986	4.8
83.08638	4.6
83.09257	4.0
84.83843	4.5
91.05466	75.7
92.64182	5.7
93.07026	30.9
95.04947	5.2
95.08587	31.7
98.97552	5.5
101.34360	4.2
105.07016	100.0
107.04920	7.8
107.08566	23.4
109.10143	8.8
116.98575	5.9
117.07034	15.7
119.08569	44.0
121.10110	8.9
122.01092	4.4
124.27121	4.4
129.06982	7.2
131.08563	31.2
133.10130	48.4
139.03911	9.0
145.10109	25.2
147.11653	30.9
149.02298	5.0
157.10097	4.8
159.11739	6.6
173.13339	5.3
175.07536	7.2
187.49802	4.3
203.07054	6.2
215.10669	17.6
232.14203	4.6
246.17474	5.7
273.70602	5.2
275.12631	5.7
275.20035	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	275.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.05506	100.0
62.63160	1.2
91.05474	14.1
94.39014	1.4
94.53585	1.6
118.06901	1.4
121.02804	6.0
129.06953	14.9
131.08524	8.1
135.42244	1.4
139.03986	1.5
143.04906	6.1
145.10097	1.5
147.29584	1.5
147.94098	2.0
149.02321	81.2
161.05957	12.8
175.07503	43.3
185.06055	2.0
203.07024	28.0
275.12726	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.9
55.01854	7.6
55.05510	29.4
57.03429	1.5
57.07051	2.2
58.30660	1.3
65.03899	1.3
67.05495	39.2
69.07050	17.0
69.65432	1.2
70.06571	2.5
71.59902	1.4
76.97258	1.4
79.05473	48.1
81.06605	1.9
81.07043	37.9
83.04978	6.0
83.08598	9.6
88.07616	2.1
91.05463	60.3
92.63454	1.3
93.07024	49.4
95.04944	7.8
95.08592	28.7
97.06512	9.3
105.07018	100.0
107.04946	2.7
107.08584	33.6
109.06506	7.3
109.10155	11.6
111.08070	2.4
117.07012	26.1
119.08565	68.8
121.06479	8.4
121.10125	18.4
123.08060	6.5
129.06989	3.2
130.07794	1.7
131.08542	29.2
132.09299	1.5
133.06502	2.2
133.10107	51.3
135.08035	6.2
135.11646	6.6
137.09604	6.3
138.83002	1.4
140.31311	1.4
141.06897	1.7
143.08534	6.2
145.10107	31.8
147.08009	1.7
147.11655	18.2
149.09634	25.7
151.11180	6.0
155.08453	1.4
157.10107	3.1
159.11659	13.0
161.09598	2.4
161.13268	6.0
163.11191	17.7
165.12750	3.2
169.10081	6.7
171.11592	5.9
173.13260	2.9
175.11192	2.0
180.51161	1.6
183.11656	2.4
185.13210	2.8
189.12682	2.0
197.13208	3.0
207.27136	1.4
210.15576	1.7
215.17973	5.5
229.19597	5.7
239.17900	11.8
257.18970	14.0
257.26569	1.6
274.27380	6.0
275.20023	94.7
275.27557	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	275.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
53.72953	0.8
55.01860	6.6
55.05505	1.6
56.96550	4.9
57.03431	20.9
59.49442	1.0
61.02926	1.1
67.05486	2.1
69.03419	100.0
70.02944	1.1
70.06569	1.1
71.01354	6.9
71.04984	10.2
73.02899	7.8
79.05490	2.0
81.03406	69.7
82.06564	1.3
83.01331	3.9
83.04965	7.7
83.82886	0.9
85.02892	42.5
87.00811	1.2
87.04441	1.7
92.64458	1.0
95.04953	6.3
96.04469	2.4
97.02881	36.1
99.04434	10.3
101.02367	6.9
107.04891	1.4
109.02895	10.8
110.97559	1.1
111.04414	1.6
113.02360	8.8
113.03484	11.9
115.03930	1.8
123.04395	1.9
125.02368	1.7
125.07085	1.1
127.03906	26.9
128.98602	1.5
131.03371	1.0
139.03931	1.5
141.05440	1.1
145.04935	4.5
151.03947	4.0
172.95268	1.1
173.04468	1.0
174.99124	7.5
193.00223	9.1
200.47241	1.2
222.01028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51625	1.0
56.96555	2.7
65.99860	1.2
70.06559	1.7
71.04958	1.7
79.05431	1.3
81.03419	1.6
81.07046	1.5
85.02889	2.2
97.02881	4.8
98.97559	11.6
108.53394	1.1
111.04368	1.8
116.98603	9.0
119.08590	1.4
132.95766	1.1
134.99635	4.6
136.24228	1.1
141.06606	1.8
144.79953	1.3
148.07600	2.2
158.99634	1.9
167.00047	1.9
171.98137	1.4
172.95210	2.2
177.00650	2.2
223.21346	1.6
229.00195	4.8
247.01233	3.0
253.02274	1.7
257.02640	2.9
274.97736	1.4
275.03714	2.9
275.10968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
51.26839	0.4
56.10090	0.4
57.06814	0.7
57.07066	14.0
58.06581	0.6
61.34808	0.4
64.32710	0.5
70.06578	20.8
71.08621	5.9
76.04754	0.5
81.45147	0.5
85.10161	0.8
88.07614	25.4
92.08717	0.6
92.58759	0.5
101.70522	0.5
102.09143	7.6
106.08652	12.5
230.24806	2.3
256.26273	10.3
274.27353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.00298	4.9
55.05497	18.3
55.56308	4.2
56.96558	7.9
57.03391	4.3
57.07064	5.9
58.49754	3.6
59.25762	3.7
59.32873	3.7
67.05492	22.5
69.07054	33.9
77.65480	3.9
79.05477	25.8
81.07035	24.8
83.04959	4.7
91.05451	27.8
93.07010	26.7
95.04945	6.9
95.08569	30.3
98.97575	38.2
105.07017	69.7
107.04928	8.9
107.08582	33.0
109.06485	30.3
109.10109	7.5
116.98601	33.2
117.07002	19.0
119.04884	7.4
119.08558	50.5
121.06472	5.6
121.10107	21.3
123.04432	5.8
128.06178	8.4
129.07018	19.6
129.57803	5.1
130.07748	5.4
131.08542	28.4
133.06474	5.4
133.10123	57.9
134.99623	9.4
135.08054	5.9
141.06975	9.1
142.07791	20.3
143.08592	46.8
145.10136	30.0
147.11647	20.7
155.08530	24.7
156.09358	35.6
157.10094	46.3
158.99529	5.4
159.08029	4.9
159.11656	10.7
167.08540	8.4
169.10068	36.1
170.10880	7.2
171.11646	30.8
173.09663	18.4
173.13292	5.6
175.11134	6.8
177.00644	8.1
181.10049	9.4
182.10854	20.1
183.11670	7.9
185.13156	6.0
189.12686	6.7
193.10138	6.4
196.12488	8.3
197.13245	64.9
198.14085	6.5
199.11197	22.8
207.11588	7.7
211.14774	25.9
212.15503	5.4
213.16312	26.1
215.14290	7.3
225.12776	8.2
227.14194	7.2
229.15860	7.4
237.16415	10.8
240.14963	6.1
255.17451	58.7
273.18512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01858	2.3
55.05516	16.6
57.07067	4.4
63.61463	1.9
67.05493	13.5
68.97966	2.1
69.03404	4.1
69.07066	11.7
71.04992	12.4
74.12234	1.9
79.05470	17.6
81.07044	16.4
83.04986	5.1
83.08618	5.5
85.06532	9.8
88.62338	2.9
90.01843	2.0
91.05452	25.3
93.07022	24.1
95.04954	85.6
95.08570	17.1
97.06501	4.0
98.97549	4.5
105.07024	56.8
107.08577	36.8
109.06512	78.9
109.07185	4.6
109.10158	12.8
111.08047	4.3
115.44069	2.3
117.07019	14.7
119.08553	55.0
121.06470	4.1
121.10135	14.7
123.04382	3.2
123.08053	33.5
123.11697	3.0
128.06183	3.7
129.07022	10.2
130.07806	11.0
131.08559	36.6
133.10127	30.3
135.08034	11.1
135.11690	12.4
137.09605	14.6
141.06981	4.0
142.07758	25.2
143.08557	26.4
144.09380	11.1
145.10117	84.4
147.08052	8.4
147.11681	30.7
149.09595	3.2
151.11209	3.0
155.08568	11.3
156.09351	27.7
156.10564	3.1
157.10118	54.7
158.10898	11.4
159.08037	10.6
159.11658	32.0
160.08775	2.8
161.09622	13.4
161.13261	11.5
163.11160	3.7
167.08539	4.0
169.10100	11.3
170.10947	3.7
171.11658	42.2
172.12460	3.4
173.09639	16.3
173.13229	43.9
174.10341	4.6
175.11134	17.6
181.10104	3.8
182.10867	14.5
183.11775	2.7
185.09560	2.8
185.13284	14.0
187.11121	28.7
187.14812	11.7
189.12715	27.0
195.11665	5.0
196.12494	3.6
197.13226	31.5
198.14134	2.9
199.11168	18.4
200.11964	2.8
201.12674	2.9
203.14278	4.3
207.11601	7.9
211.11296	2.3
211.14813	5.1
212.15425	2.8
213.12897	3.4
213.16373	23.8
214.13586	3.7
215.14284	52.5
217.12238	9.9
225.12798	3.2
227.18085	3.1
229.15752	4.6
231.17377	20.8
237.16310	3.7
255.17491	23.3
273.18448	100.0
273.26108	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	273.0755
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
52.71050	0.5
53.03925	2.7
55.01853	1.6
56.96564	0.7
65.03924	1.0
67.05486	3.3
68.99781	3.8
79.05460	1.0
81.03416	1.2
83.04996	0.9
85.02858	0.8
91.05467	13.4
95.04948	63.5
98.97578	0.9
105.04518	0.6
105.06984	0.8
107.04942	66.4
111.00800	1.1
115.05412	0.9
116.98587	1.1
119.04923	100.0
119.70554	0.6
121.02852	8.7
123.04409	91.8
127.61971	0.6
133.06479	11.6
139.03885	9.1
140.52402	0.6
141.06976	1.2
145.06436	2.6
146.99606	0.7
147.04378	10.9
149.02318	10.7
151.03886	20.8
152.06177	0.7
153.01793	0.7
153.06940	1.5
157.06465	2.8
161.05997	5.2
163.03896	0.8
169.06465	1.5
171.04349	1.5
181.06467	3.8
185.06001	0.8
187.07547	0.7
189.05400	0.7
197.06015	1.2
215.06992	9.5
227.06975	1.1
243.06551	4.8
245.07994	2.6
255.06441	2.9
273.07474	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	273.0757
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03931	3.9
55.01867	0.8
65.03918	1.0
67.05496	1.5
68.99770	3.4
69.25479	0.8
74.77094	0.8
79.05482	1.7
84.86682	0.8
91.05476	14.3
95.04952	64.8
98.97520	1.8
105.04510	1.4
105.07011	1.5
107.04945	64.3
111.00794	1.5
111.04457	1.0
116.98579	1.0
119.04928	100.0
121.02835	7.6
123.04412	90.6
127.03918	1.3
133.06470	10.4
139.03912	8.7
141.06985	1.2
145.06474	1.2
147.04404	11.1
149.02312	10.8
151.03885	20.5
153.06973	3.5
157.06532	1.6
161.05991	3.5
161.90302	0.8
163.03807	1.2
169.06488	1.6
171.04404	1.8
173.72418	0.9
179.03326	0.9
181.06453	1.8
187.07628	0.9
189.08330	0.8
197.05942	1.7
199.07545	1.0
201.05380	1.1
209.05847	0.9
215.07011	9.3
227.07019	0.9
243.06491	5.6
245.08118	4.5
255.06471	3.8
273.07513	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	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03933	2.3
53.12399	1.3
55.01860	1.1
55.05493	1.2
55.57356	1.0
56.96564	1.4
61.83031	1.0
67.05490	5.0
68.99774	2.4
71.04962	2.7
79.05473	1.7
81.03417	1.3
81.36355	1.2
82.46532	1.3
83.04967	2.1
85.02834	1.7
91.05463	13.8
92.08588	1.3
93.07027	2.2
94.60699	1.3
95.04943	60.7
95.08579	1.6
105.04495	1.4
105.07012	3.1
107.04938	69.1
108.87639	1.5
111.04391	1.6
115.05389	1.8
119.04922	100.0
119.08575	2.1
121.02846	9.4
121.10123	1.5
123.04408	98.5
126.83366	1.3
131.08562	1.5
133.06468	10.2
133.10088	1.7
135.04453	1.5
139.03918	3.0
147.04390	13.6
149.02312	12.0
151.03882	20.8
153.01843	2.1
153.69580	1.4
157.06488	1.7
161.05962	3.1
169.06473	1.9
171.08087	1.6
179.03401	2.1
181.06404	2.6
183.09019	1.4
183.83449	1.5
199.07561	1.5
215.07158	9.9
243.06448	2.8
245.07970	5.6
255.06465	1.7
260.70523	1.5
273.07574	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01878	0.9
55.43701	0.6
62.86313	0.7
67.01833	3.1
67.92404	0.7
68.99788	5.9
69.03410	1.1
76.55765	0.8
81.03420	0.8
85.02863	0.9
91.05444	7.3
94.94197	0.7
95.04948	3.4
107.04945	6.3
107.08611	0.7
110.13927	0.9
115.05427	3.5
117.06985	1.2
119.04924	23.8
123.04389	4.2
128.06242	1.2
129.06990	3.1
131.04854	1.2
135.04482	0.9
136.55412	0.9
139.03961	1.0
141.06946	0.7
145.06470	5.3
147.04399	45.3
147.52931	0.8
151.03902	1.0
152.84349	0.8
153.01811	100.0
153.06969	1.3
157.06433	6.9
163.03839	1.3
167.04935	1.2
168.05684	1.6
169.06386	1.3
171.02847	5.4
171.04385	5.8
173.05972	1.1
181.06454	1.0
184.05255	0.7
185.05923	9.8
187.03815	0.9
189.05388	1.5
197.05821	1.0
213.05426	6.8
229.08568	27.9
255.06708	1.0
255.10188	3.8
273.07529	79.2
273.11087	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	273.0755
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03932	1.9
55.01852	1.1
65.03909	0.9
67.05488	3.5
68.99770	4.3
69.03426	1.5
69.07059	1.0
77.47189	0.8
79.05463	2.1
79.86809	0.8
81.03391	1.2
83.04933	0.9
91.05467	14.6
93.07026	1.1
95.04949	65.0
105.04502	1.1
105.07027	1.9
107.04943	75.6
107.08569	1.3
109.06474	0.8
119.04925	100.0
121.02845	9.6
121.06491	1.0
123.04414	97.6
131.04861	1.0
131.08498	0.9
133.06474	11.2
133.91800	0.8
135.04391	1.0
137.05884	0.8
137.33342	1.1
139.03920	7.7
143.14175	0.8
147.04382	12.9
149.02295	10.7
151.03897	20.0
153.06999	1.0
157.06453	3.1
161.05943	5.0
163.03880	1.5
167.03368	1.8
169.06361	1.1
171.04384	1.4
175.58917	0.8
179.03416	1.7
181.06396	1.6
197.05927	1.1
199.07451	1.6
215.07045	10.4
215.14296	1.0
227.07048	1.4
243.06461	5.7
245.07974	3.8
255.06361	3.5
273.07465	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	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03942	2.5
53.88765	1.4
55.05510	17.5
57.07078	12.5
58.02937	6.2
58.07386	1.6
61.51170	1.5
63.18755	1.2
65.03901	1.4
67.05491	27.9
69.03414	6.7
69.07059	22.1
71.04980	7.3
72.90057	1.4
79.05481	26.8
81.07041	44.2
83.08607	2.8
88.07600	2.6
91.05468	50.2
92.09318	4.6
93.06483	2.8
93.07030	48.1
95.04948	12.1
95.08590	100.0
95.57625	1.8
97.06514	6.9
102.09173	7.6
103.05446	3.0
103.78556	1.5
105.07019	83.0
107.08581	58.9
109.06517	8.5
109.10135	28.4
111.08089	3.3
115.05448	2.1
116.06210	2.4
116.10658	2.2
117.06989	11.2
119.08568	76.1
121.06490	3.8
121.10125	90.1
123.08042	12.8
123.11678	30.6
128.06184	1.6
129.06978	9.5
131.08549	76.5
132.09325	1.9
133.10118	44.4
135.08046	9.4
135.11678	7.7
142.07777	10.8
143.08537	8.3
145.10121	30.9
147.08009	2.1
147.11674	32.2
149.09610	34.1
152.89787	1.8
155.08539	7.5
156.09361	3.0
157.10074	18.6
159.11676	35.1
161.09621	3.3
161.13254	6.6
167.08546	8.0
169.10114	7.9
171.11696	8.6
173.09578	4.0
173.13258	15.4
174.13956	2.6
175.11137	3.5
175.14818	13.1
182.10898	7.3
183.11700	3.9
185.13275	6.5
187.11205	2.6
187.14781	11.5
189.16302	2.3
197.13242	13.6
213.16371	3.0
215.14354	8.2
253.19458	3.3
262.74835	1.9
270.27899	28.0
271.17691	2.3
271.20480	22.5
271.28204	64.9
275.72894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05514	6.9
55.35561	3.1
56.56797	3.7
56.96556	4.8
67.05492	5.2
70.73363	3.6
71.04976	22.7
79.05487	20.3
81.07039	18.4
91.05463	51.3
92.05810	21.7
93.07037	30.3
95.04956	5.7
95.08593	16.6
98.97581	5.7
104.98515	3.9
105.07016	52.2
107.07967	4.0
107.08556	34.2
109.06501	100.0
115.17290	4.3
117.07003	6.9
119.08587	17.1
128.06169	5.7
129.06973	16.8
131.08549	26.5
135.08041	27.7
137.09628	7.1
138.71748	3.9
142.07729	15.7
143.08510	32.5
145.10085	30.3
147.08017	5.5
149.09586	6.5
155.08517	15.2
156.09312	16.0
157.10135	4.3
159.08083	8.0
159.11697	6.7
165.06984	8.5
169.10107	9.0
171.11682	18.8
179.08521	3.8
180.09285	10.2
181.10178	5.6
183.11699	5.9
195.11687	10.3
211.14772	6.4
213.12756	18.6
271.17200	7.3
273.09003	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	271.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11672	8.4
54.61885	9.5
54.82175	9.8
56.73839	8.6
56.96555	17.5
57.49775	9.7
66.50706	10.0
69.07063	10.3
71.04967	18.0
79.01787	9.3
79.05499	13.1
81.07047	15.2
90.70122	10.3
91.05470	52.5
91.96420	11.1
92.09279	19.1
93.07014	24.7
105.07021	73.8
107.08576	22.8
109.06498	100.0
116.98579	14.4
117.06967	20.5
119.08577	10.7
131.08507	23.5
135.08057	17.8
143.08607	21.1
145.10126	23.4
145.56235	13.1
155.08533	11.5
161.50491	11.7
165.06950	12.0
171.11566	17.2
192.76477	13.5
195.11644	19.5
195.26399	12.0
198.01964	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	270.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75452	0.5
53.03938	1.3
55.01862	3.2
55.05509	6.2
57.03426	7.1
57.07055	0.6
61.02917	11.4
69.03418	25.4
70.06569	0.9
71.01346	0.9
71.04988	1.4
71.56279	0.5
73.02910	6.7
73.06538	30.4
76.72730	0.4
81.03400	9.5
84.69120	0.5
85.02891	100.0
87.04448	2.8
91.03922	7.1
97.02871	21.7
99.04418	4.7
101.02369	0.7
109.02867	7.5
115.03896	0.8
127.03888	22.1
134.06929	0.5
145.04939	32.9
152.94614	0.6
160.09909	0.6
163.05989	9.5
217.10704	5.9
253.12740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60971	2.1
78.95201	3.6
78.95628	62.6
89.53050	2.5
94.93008	3.4
96.92223	4.0
97.94450	2.4
112.89594	76.4
114.89320	77.8
136.23946	2.9
160.96114	49.5
172.96136	3.5
190.97162	14.2
196.87784	69.5
197.21484	2.7
212.85202	100.0
233.76445	2.6
252.97179	3.1
270.98083	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	2.5
62.24069	1.6
62.34858	1.3
64.33281	1.6
67.05492	1.3
69.03391	2.3
76.80817	1.3
79.05449	2.7
81.07011	1.4
95.04984	1.5
95.08564	1.7
98.97549	2.0
111.04436	2.0
132.25806	1.6
137.02322	6.7
211.60689	1.6
229.93449	1.5
267.07144	1.4
271.11478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.01940	1.0
54.82056	1.0
55.05487	0.9
56.96558	2.5
57.07053	1.6
64.33858	1.4
68.74740	0.9
74.58080	1.0
78.47432	1.1
79.05469	2.7
80.04980	1.3
94.06572	2.2
96.08118	6.2
98.97577	1.9
106.06539	5.7
108.08099	16.6
116.98635	1.9
118.06561	1.7
122.09669	2.1
124.07529	1.4
134.06027	1.2
136.07600	1.4
142.07782	2.1
144.08084	1.8
146.09650	1.5
147.06677	1.2
150.99219	1.4
155.08548	1.4
157.10165	1.9
158.09645	2.2
166.07745	1.3
168.08072	14.8
168.09326	2.0
169.08875	13.0
170.09641	2.7
172.07504	2.5
174.09116	1.4
181.10168	2.1
182.06090	1.1
182.09645	6.7
183.03807	1.2
183.10403	24.2
184.09879	1.9
185.10712	2.8
186.09196	1.3
186.11467	2.5
191.95952	1.2
196.07552	11.4
196.09787	1.0
197.08316	19.2
198.09265	1.8
198.12778	17.5
199.08624	17.7
199.12282	4.7
200.13025	2.0
208.53384	1.3
210.09140	6.3
211.08180	1.6
211.09946	29.0
212.09474	7.2
213.10211	33.5
214.10992	6.2
215.15434	7.5
225.13881	2.4
226.12283	38.7
227.08290	3.1
227.11757	66.6
228.12543	50.5
230.24734	2.6
239.11749	1.4
240.08917	5.4
241.09724	8.2
242.10599	2.1
243.14905	26.3
253.13315	7.3
254.11646	2.5
255.11249	95.1
256.12033	73.3
269.12851	2.0
271.14383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	2.4
55.01854	2.4
55.05510	31.1
55.74680	1.5
56.96560	1.5
57.03433	61.8
57.07064	8.7
67.05495	80.3
69.07057	43.5
71.04966	4.2
79.05477	58.0
81.07041	100.0
83.04961	11.9
83.08609	16.4
85.06534	3.3
91.05457	27.9
93.07024	82.0
95.04958	8.2
95.08578	30.7
97.06517	17.1
97.10141	1.7
98.97551	3.8
99.08064	3.2
105.07039	12.0
107.08579	44.0
109.06514	2.5
109.10140	3.2
111.08043	6.9
115.44563	1.7
117.07001	10.1
119.06082	1.7
119.08578	3.7
121.06500	2.0
121.10111	20.3
131.08563	10.9
133.10136	9.0
135.11676	3.4
137.01305	1.6
139.11157	1.6
149.13264	29.5
157.10088	1.8
159.11661	15.0
177.12715	3.8
195.13852	9.0
251.22716	1.7
269.17392	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82009	4.5
55.01868	10.3
56.96545	8.9
57.03425	5.9
59.04983	34.0
62.93594	5.2
64.22831	6.0
68.90992	4.9
69.03421	7.4
71.04977	8.2
72.93769	8.0
73.06531	100.0
75.04459	29.7
78.81427	5.2
85.02887	38.9
85.06520	8.2
87.04450	38.4
89.06007	12.3
91.07570	28.5
97.02869	5.7
98.97546	6.0
103.03918	38.8
109.46522	5.7
112.49284	5.5
116.98595	7.8
131.03314	12.8
147.04355	7.5
161.04424	47.9
217.03406	65.1
217.05287	8.6
235.04459	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	270.097
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43919	3.5
79.05477	27.0
79.26151	3.1
87.00809	51.5
92.09303	4.0
103.05445	100.0
107.04941	70.3
113.18729	3.7
121.06487	63.8
131.04924	62.2
143.95399	3.5
147.04295	4.1
149.05951	29.2
163.86464	3.9
207.06517	31.0
240.16286	3.7
253.07074	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	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	3.1
53.03938	1.9
53.57465	1.8
57.03433	2.6
57.07067	42.3
61.02906	12.4
67.05479	2.6
69.03416	28.3
69.07058	80.5
71.04988	2.3
71.08607	34.9
71.13811	2.0
73.02902	4.4
81.03404	4.7
81.07061	3.3
84.80434	1.9
85.02891	100.0
85.10175	12.7
86.03220	2.6
86.09708	5.8
87.04430	2.5
91.03945	2.3
97.02875	19.6
98.97540	3.4
99.04425	3.6
109.02827	4.3
116.98602	4.0
127.03913	27.8
136.06174	11.4
137.02328	13.8
145.04939	38.3
163.03947	3.7
163.05983	10.3
193.55328	2.7
266.13651	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	267.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14551	0.4
53.00309	1.1
56.96566	0.5
57.03422	1.9
57.07074	5.8
61.02919	0.8
63.76616	0.4
67.05507	0.7
69.03421	3.6
69.07056	100.0
70.06578	0.4
70.09803	0.4
71.04967	0.6
71.08618	2.8
81.03394	0.9
83.80156	0.5
85.02888	13.2
85.10181	1.0
87.08091	45.2
90.94811	0.5
95.08607	0.7
97.02882	2.7
105.03413	0.7
105.09132	13.1
105.09804	0.8
109.02872	0.8
127.03931	0.8
131.97400	0.5
163.03856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01793	2.9
54.81778	4.0
57.07071	28.3
57.34845	3.0
71.08620	14.2
72.86214	2.9
74.14762	3.0
85.10185	3.7
92.08659	10.2
141.82101	3.4
218.96288	3.8
267.15649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01860	0.8
55.38458	0.1
57.03427	1.5
69.03411	0.4
71.01321	0.2
73.02888	0.6
85.02880	0.9
94.04025	0.2
104.32623	0.2
119.03535	0.9
121.58456	0.2
127.88376	0.2
136.06171	100.0
137.04565	0.8
268.10352	5.8
280.21085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01867	2.7
57.03417	6.1
57.07057	1.2
60.89504	1.0
61.02917	14.8
69.03416	23.0
69.07040	1.0
71.04975	4.7
73.02904	7.0
78.90855	1.2
81.02980	1.3
81.03406	11.5
83.01317	1.8
85.02895	100.0
87.04459	2.3
89.06039	1.6
91.03938	8.5
97.02872	23.5
98.97569	1.2
99.04412	2.7
109.02882	9.1
111.04424	2.8
121.06474	12.4
125.87366	1.2
127.03879	19.8
131.58170	1.2
136.06155	11.6
145.04929	19.8
163.05978	4.8
163.07430	1.8
180.08757	2.7
195.10262	1.3
224.55841	1.3
261.87421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02995	1.7
56.44641	1.2
57.07072	23.3
58.15792	1.2
62.99057	1.5
63.16853	1.2
69.00899	2.1
71.08612	10.7
75.98574	86.7
85.07656	2.1
85.10172	8.6
92.04974	2.0
94.86879	1.7
98.21139	1.4
105.01201	8.4
106.06534	10.5
118.03225	100.0
118.99130	3.1
119.06055	17.0
147.05885	2.9
151.12025	1.4
175.40269	1.8
204.05960	1.4
219.67010	1.6
224.04892	2.7
266.09512	11.1
281.66348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.128
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
53.03933	0.4
54.43793	0.3
55.01859	0.6
57.03420	2.6
57.07066	10.0
61.02904	1.5
62.48254	0.4
65.03922	1.6
67.05489	25.7
69.03411	4.9
71.04958	0.4
73.02890	0.8
79.05451	0.5
80.93451	0.3
81.03396	0.9
81.07022	0.4
83.04952	0.9
85.02886	13.3
85.06525	100.0
86.08054	0.4
91.11537	0.3
97.02858	6.2
99.04424	0.8
103.07566	1.8
106.78925	0.4
109.02864	0.4
115.03951	0.4
127.03874	2.0
145.04971	0.7
147.17636	0.4
169.90346	0.4
181.08693	0.4
257.46173	0.4
285.07349	0.4
288.20786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
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
50.72507	3.9
53.03932	7.8
54.15450	3.6
55.05496	20.7
56.96558	34.8
57.03429	5.7
57.38166	3.6
64.54385	4.8
67.05510	32.9
69.03420	82.6
69.07035	5.5
71.04980	6.2
79.05469	29.0
81.03407	9.1
81.07045	18.0
83.04952	6.9
84.96019	9.9
85.02863	6.0
91.05464	87.2
93.07034	60.9
95.04952	46.7
95.08546	31.6
97.02866	19.0
97.06519	5.3
98.97546	35.2
99.04436	9.2
100.07589	25.0
103.05434	6.6
105.07019	81.6
107.04920	6.2
107.08583	26.3
109.06514	42.2
109.10160	7.5
110.97546	5.9
111.04435	26.1
111.08071	5.8
113.05996	24.6
115.05460	8.4
116.98631	21.2
117.03334	6.1
117.07009	24.2
119.04987	5.6
119.08556	100.0
120.04483	25.0
121.02855	8.5
121.06502	61.8
121.10097	7.6
123.04388	5.0
123.08036	32.7
128.06221	6.5
128.98608	7.7
129.06967	31.8
130.07787	5.8
131.08534	63.2
133.06480	5.3
133.10126	18.7
134.99643	4.9
135.04408	27.1
135.05408	4.2
135.08060	72.1
135.09007	7.8
136.29782	4.4
137.02310	5.1
137.09584	10.5
139.03868	8.8
141.06972	4.8
142.07758	19.8
143.00168	22.8
143.08492	18.8
144.09367	10.1
145.06468	21.5
145.10150	45.0
146.07190	4.5
147.04422	9.5
147.08034	45.6
147.11697	19.5
149.09660	6.7
154.07771	6.9
155.08534	8.3
157.10141	24.0
158.07266	28.8
159.03098	21.9
159.08037	34.7
159.11720	41.9
161.01175	27.2
161.05911	5.2
161.09610	27.6
163.03915	49.1
165.09143	23.4
166.04974	46.2
171.11578	5.4
172.08849	19.5
173.01178	9.1
173.05927	16.1
173.09590	9.6
173.13251	7.5
175.07515	59.4
175.11227	32.8
183.11549	7.7
185.09546	6.5
186.10333	5.7
187.11188	34.3
189.09055	10.0
189.12807	8.3
193.08595	8.4
196.08818	8.7
197.01225	5.4
199.11148	9.3
201.12750	21.0
203.10675	24.1
205.12259	5.6
211.02759	6.2
211.11188	10.2
217.12213	11.1
219.13707	6.6
229.12184	9.4
247.10745	29.8
247.13339	36.9
265.11728	14.4
265.14447	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	265.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95510	0.6
52.91433	0.7
53.03937	2.6
55.01859	2.9
56.96557	1.5
57.03221	0.6
57.03432	9.8
57.07067	7.1
61.02922	14.3
61.22620	0.6
69.03418	28.4
70.06569	1.0
70.72060	0.7
71.01409	0.7
71.04974	1.6
73.02910	8.5
81.03397	11.0
85.02892	100.0
85.06540	0.8
87.04443	4.6
91.03950	5.9
91.05437	0.8
97.02869	24.5
98.97559	1.2
99.04440	3.8
103.07574	5.6
104.40160	0.7
109.02876	10.0
109.03548	1.1
116.98623	1.3
127.03903	18.4
137.02377	4.9
137.03278	0.8
145.04936	14.1
163.03851	1.1
163.05980	1.3
168.87195	0.7
173.05823	0.8
177.70645	0.7
181.54338	0.7
197.68118	0.8
249.05141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93943	0.6
53.03934	3.1
55.01863	4.1
56.96553	0.9
57.03428	8.6
57.07067	6.0
61.02919	14.3
67.05503	0.7
69.03416	25.8
71.04993	2.6
73.02907	6.2
81.03410	10.1
85.02892	100.0
85.06519	2.7
87.04441	4.0
91.03938	6.0
91.05485	1.0
97.02879	21.1
98.97562	3.0
99.04438	3.3
103.07545	7.4
109.02868	9.7
115.03931	1.4
116.98598	1.5
123.03584	0.7
127.03898	15.7
137.02356	4.9
145.04968	18.8
163.03867	1.3
163.05984	3.7
163.07219	0.7
197.79922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
50.77529	2.2
54.81854	2.1
55.05486	4.4
59.04983	3.8
61.96700	2.1
63.57670	2.2
67.05462	3.2
69.03382	3.3
75.44229	2.6
79.05444	5.7
81.07025	6.7
83.04957	10.8
91.05453	14.5
92.08776	4.4
93.07022	10.5
95.04957	3.3
95.08641	3.3
98.91312	3.0
104.99255	15.3
105.07013	20.1
107.08571	3.6
109.06521	4.1
117.06944	5.7
119.08531	23.1
121.06479	5.5
121.10107	4.8
133.10139	18.9
135.07993	16.1
141.51552	2.7
143.08560	4.0
145.06331	3.1
145.10114	4.1
145.11212	2.8
147.08037	14.5
150.52780	3.1
159.11606	3.1
161.09576	25.6
163.07553	4.9
179.10551	3.3
189.09102	12.1
198.98933	3.6
203.14235	4.7
207.10173	6.0
245.15300	2.7
263.16330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47096	3.1
55.01858	8.8
55.05505	46.3
58.61655	3.5
62.79820	3.4
65.39652	4.1
67.05506	5.3
71.04984	4.8
79.05460	9.9
81.07052	50.8
83.08602	59.8
83.41300	3.6
89.05946	4.5
91.05456	23.6
93.07035	20.7
94.04159	6.1
95.04971	9.2
95.08591	7.7
97.06495	5.1
104.17607	4.3
104.99276	29.0
105.07049	9.8
107.04930	8.0
107.08579	29.0
109.06503	100.0
109.10103	3.9
111.08050	17.8
119.04929	7.7
123.08050	5.3
137.05980	8.7
139.11169	27.1
153.09099	4.7
161.02914	4.6
174.56906	4.3
181.12169	5.4
205.12119	6.7
221.15311	4.5
263.16351	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	263.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.05506	35.4
57.03407	1.8
58.01396	1.0
59.05001	1.3
61.02910	3.0
71.04977	23.9
71.41941	1.1
73.06548	2.0
80.15840	1.1
81.03397	8.5
82.09734	1.2
83.04966	100.0
85.02893	32.7
90.60881	1.3
92.08797	1.9
99.04430	35.1
101.05997	31.9
103.03922	48.0
108.54559	1.4
109.02862	2.3
120.08087	2.6
127.03894	26.6
143.07021	32.4
145.04935	2.1
161.08102	8.3
171.87164	1.4
245.10034	1.5
260.28415	1.6
279.07996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80420	1.3
53.03936	1.5
55.01857	9.7
55.05509	14.9
55.60527	1.4
56.96550	6.3
57.03428	29.4
57.06813	2.5
57.07069	45.4
59.04976	2.2
61.02901	8.3
64.49780	1.5
65.03927	2.1
66.66499	1.4
67.05141	2.7
67.05494	66.5
69.03421	23.1
71.01343	6.3
71.04977	3.1
73.02906	26.6
75.90587	1.3
81.03385	3.1
83.04971	22.8
85.02893	23.5
85.06532	100.0
86.09702	2.7
87.04417	3.1
87.35425	1.5
97.02868	20.1
98.77488	1.5
98.97537	3.2
99.04446	3.4
101.05990	17.3
102.05481	2.0
103.03900	6.1
109.02832	2.2
115.03895	25.0
116.98592	2.0
119.01891	3.6
125.02325	10.0
133.04953	44.2
143.07074	2.3
146.99719	1.5
161.02913	3.2
170.99684	2.9
179.05457	9.5
186.96788	2.6
219.01616	1.8
232.32425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
51.96178	0.6
53.03934	0.8
53.59771	0.7
55.01862	1.9
55.05500	3.2
56.05013	3.3
57.03437	0.8
57.05359	1.1
57.07067	8.5
58.06587	1.1
59.04979	3.2
60.04507	0.9
61.77140	0.6
67.05483	5.5
69.03409	4.5
69.07047	1.7
71.04955	1.2
74.06055	3.1
79.05482	9.9
81.03426	1.0
81.07050	11.5
83.04974	10.8
85.06544	3.4
88.07626	15.8
89.07951	3.4
91.05460	11.5
93.07026	8.8
95.04956	7.3
95.08600	3.8
97.06501	5.3
104.99284	1.1
105.07015	17.2
107.04916	1.6
107.08579	12.5
109.06503	5.5
109.10145	3.5
111.04418	5.0
117.07014	6.5
118.08605	1.6
119.08559	24.4
121.06483	4.7
121.10102	3.8
122.08076	1.3
123.08008	1.1
125.05952	4.6
128.06204	4.4
129.07011	3.3
131.08507	4.7
133.06548	1.4
133.10114	20.1
135.08041	13.4
137.09589	4.5
142.07733	1.0
143.08528	8.6
145.06464	4.0
145.10103	1.8
146.07231	1.9
147.08031	24.4
147.11668	1.3
149.09589	1.8
150.60017	0.8
157.10112	5.0
159.08000	1.0
159.11647	5.4
160.08711	1.0
161.09595	17.8
161.13260	0.9
163.07466	5.8
163.11264	0.9
170.10834	1.0
171.11671	1.5
173.13176	1.6
174.06502	0.9
175.07544	1.0
175.11179	1.2
177.09013	1.2
179.10646	3.4
185.13203	4.7
187.11118	1.1
189.09079	11.0
189.12753	1.2
190.09842	1.1
199.14877	1.1
202.15211	0.9
203.14336	6.5
204.17612	0.9
207.10126	9.4
214.21652	8.0
215.21960	11.0
227.14360	1.1
245.15343	7.9
245.23109	1.2
262.23767	9.8
263.16360	100.0
263.24075	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.26179	3.0
52.39147	2.9
53.03935	3.1
53.31430	2.8
55.02895	2.8
55.05507	16.9
57.07085	3.9
59.63126	3.3
67.05494	51.2
69.07065	16.7
71.96915	3.8
73.71191	2.9
76.56794	4.4
79.05469	56.4
79.11387	3.1
81.07047	61.6
83.08605	6.3
91.05471	24.1
93.07028	92.6
95.08586	44.1
97.06525	3.4
105.07035	21.4
107.08595	47.7
109.10159	15.9
109.22913	3.5
114.80798	4.0
119.08577	19.3
121.10140	50.2
131.08556	19.2
133.10136	17.8
135.11688	33.2
145.10138	15.3
147.11679	7.8
149.13206	25.5
159.11690	7.0
161.13234	13.2
163.14807	28.0
173.13280	13.9
175.14816	5.0
177.16362	8.0
187.14772	4.9
226.32588	4.3
243.21031	41.7
261.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62288	1.7
55.05498	12.8
56.05021	9.8
57.07060	9.4
58.06573	2.3
58.63878	1.8
59.75919	1.9
67.05494	68.5
69.03445	2.1
69.07047	14.1
71.04974	49.0
74.06062	8.5
79.05469	11.2
81.07040	100.0
81.66286	2.2
83.04965	4.9
83.08598	4.4
85.03970	1.9
85.06525	23.0
87.69064	2.2
88.07618	45.0
91.05462	37.0
93.07030	12.2
95.08565	5.1
97.06465	3.1
104.99268	2.9
105.07015	29.0
107.08572	25.9
109.10137	42.9
118.08610	2.9
119.36569	2.1
122.08154	2.9
123.11680	23.5
133.10104	71.2
151.11154	29.7
156.52959	2.5
162.09180	3.2
169.12183	15.1
183.13744	13.9
187.13248	92.0
191.99130	2.9
201.14833	61.3
214.21626	39.1
218.19063	5.3
262.21182	22.2
262.23898	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	262.2374
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
56.05030	19.6
57.06805	1.1
57.07065	16.1
58.06586	8.7
60.04497	2.8
68.05012	0.7
71.08605	5.0
73.48393	0.8
74.06059	13.7
85.10169	1.7
86.06054	1.8
88.07612	61.9
118.08636	11.7
122.08115	7.8
160.56032	0.9
214.21620	71.7
240.61211	0.9
244.22632	3.1
260.51688	1.0
262.23721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.3
55.05506	10.9
55.93535	0.3
56.96575	0.3
57.03427	1.5
59.04992	11.4
60.63982	0.2
61.02909	1.7
69.03415	3.7
72.93774	0.3
73.02900	0.7
76.55737	0.3
79.60002	0.3
81.03401	1.7
81.07029	0.5
83.04969	83.4
85.02892	11.9
87.31480	0.3
93.07034	0.4
95.08600	0.7
97.02879	4.3
98.97575	0.4
99.04437	0.7
99.92576	0.3
101.06003	100.0
101.45016	0.3
109.02881	1.1
119.08566	0.3
123.08032	0.3
127.03903	1.8
137.02345	1.7
145.04973	1.2
149.96101	0.4
163.03911	0.3
167.97028	0.4
171.43321	0.4
193.69400	0.3
227.09210	0.5
245.10162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0369
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
53.03937	1.3
55.01854	1.3
57.03431	3.0
57.69466	0.2
61.02917	4.5
69.03067	0.5
69.03419	10.2
71.04969	1.5
71.48194	0.2
73.02902	1.4
78.21310	0.2
81.03394	3.7
82.21896	0.2
84.88158	0.2
85.02893	38.8
87.04454	0.6
91.03941	1.4
92.09216	0.3
97.02872	13.1
98.98449	100.0
99.04432	1.9
103.03921	0.4
109.02870	3.3
115.03912	0.4
116.99503	2.6
127.03898	7.1
145.04953	5.0
163.06033	1.1
193.63737	0.3
225.01546	0.5
261.05923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.5
53.03948	5.9
55.01865	2.6
55.05509	6.9
56.96571	0.6
57.03431	4.8
61.02921	4.3
67.05479	1.0
69.03418	100.0
71.01331	0.7
71.04977	21.0
71.05373	0.7
73.02899	2.6
79.05470	0.7
81.03403	90.7
81.07027	0.6
83.04968	50.3
85.02895	34.4
88.26324	0.6
91.03915	0.7
93.07005	0.7
95.01295	0.8
95.04946	4.6
97.02866	12.3
98.98455	18.1
99.04433	32.5
100.02203	1.5
102.01757	3.6
105.07040	1.0
107.41338	0.6
109.02859	3.4
109.06521	1.0
111.04393	0.8
115.03894	1.2
123.04398	3.7
127.03889	8.8
145.04912	4.7
148.02278	3.0
163.06035	1.4
178.40967	0.6
180.28462	0.6
202.05977	0.6
226.07219	0.6
243.08591	4.2
246.29926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1459
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
50.22521	4.1
67.05489	9.8
73.43053	3.8
79.05460	4.6
80.85978	4.6
91.05457	7.7
92.08601	16.2
105.23930	4.0
131.08528	7.6
171.46986	4.8
239.97908	5.0
261.14517	100.0
261.22034	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	261.2212
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
52.69909	2.5
54.81903	2.6
55.05498	19.3
67.05502	52.0
67.41112	2.7
69.07060	18.1
79.05478	67.1
81.07044	59.6
83.08636	4.9
84.44319	3.2
91.05452	37.6
92.08650	10.0
93.07027	79.8
95.08596	44.7
105.07019	20.8
107.08586	53.7
109.10148	15.4
111.08068	3.7
117.07003	7.3
118.57072	3.1
119.08580	17.4
121.10121	47.0
131.08580	20.4
133.10117	13.2
135.11710	35.4
135.65331	3.2
137.61423	3.0
145.10130	17.2
147.11679	7.3
149.13234	30.6
159.11716	6.4
161.13255	14.3
163.14824	17.6
173.13258	6.2
183.85095	3.1
187.14757	3.5
188.76305	3.7
201.16562	3.5
240.23665	3.5
242.48427	3.5
243.21069	29.4
244.61163	3.2
261.19208	5.6
261.22092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
50.58713	9.5
55.05509	25.5
57.07080	11.4
67.05521	11.8
68.85238	11.4
69.07063	49.2
71.04984	79.9
81.07038	29.8
83.04971	12.9
85.06516	11.5
91.05428	22.7
93.07028	23.6
95.08573	16.0
97.22020	11.4
104.78522	12.3
105.07015	95.8
107.08586	60.6
109.06538	17.2
109.10146	11.8
111.08096	44.8
119.08568	100.0
121.10136	25.8
123.11656	26.3
131.08530	22.8
133.10095	50.4
135.08003	18.2
143.08650	13.5
145.10149	63.0
147.11687	28.7
157.10193	14.4
159.11752	25.1
161.13275	56.5
175.14894	93.2
201.16263	17.0
216.96400	13.3
259.20508	60.6
280.59164	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	259.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.2
53.06006	0.8
54.82019	0.7
55.05507	87.0
57.07069	36.0
59.75701	0.7
67.05496	1.0
69.07057	100.0
71.08617	18.8
81.07041	1.9
83.08609	57.7
85.10150	7.4
90.73728	0.8
94.52488	0.7
97.10153	45.2
98.97546	1.4
111.11701	15.1
125.13227	5.0
134.99643	1.0
135.04497	0.9
166.06519	1.9
167.07283	21.4
180.35695	0.9
180.37639	1.1
190.95384	0.9
250.14172	0.9
259.12219	4.1
259.28384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51678	0.2
54.82582	0.2
55.05496	0.7
56.96547	0.4
57.03423	0.5
57.07067	15.3
58.06599	0.7
62.06068	0.3
65.87657	0.3
70.06577	21.3
71.08619	3.8
79.60944	0.3
81.69241	0.2
82.91350	0.3
83.10806	0.3
85.10145	1.4
88.07616	25.3
91.05464	0.3
92.09397	0.3
95.04951	0.3
98.97565	1.2
102.09161	6.1
106.08656	14.0
107.08556	0.3
116.98560	1.3
134.99591	0.7
172.94186	0.7
190.95259	1.4
211.13258	1.2
213.97017	0.4
216.23154	1.4
242.24767	9.8
260.25793	100.0
266.90060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01855	3.5
55.05505	25.2
59.21186	1.7
67.05499	20.2
67.05797	2.3
69.03403	3.3
69.06705	4.2
69.07054	64.0
69.74098	1.8
71.04978	41.9
79.05473	14.8
79.42230	2.1
81.07040	37.8
83.04961	4.0
83.08591	10.2
85.06528	15.6
91.05462	24.3
92.84975	2.1
93.07024	33.5
95.04958	9.9
95.08591	34.6
97.06516	9.4
103.05393	2.3
104.61712	2.4
105.07017	56.5
105.51444	2.2
107.08578	43.9
109.06493	24.7
109.10156	18.1
111.08085	46.2
117.07003	14.6
119.08567	100.0
121.10130	19.9
123.11710	24.9
129.06987	4.1
130.07776	5.5
131.08543	24.1
132.09329	3.1
133.10107	64.4
135.08052	26.3
135.11662	4.2
137.09631	2.6
142.07762	3.9
143.08540	4.9
144.09500	2.4
145.10112	54.7
147.11671	32.8
149.13335	2.7
151.11087	2.7
156.09314	4.8
157.10123	25.3
158.10965	3.1
159.11667	47.1
160.12431	4.7
161.09604	2.5
161.13232	76.5
170.10873	3.5
171.11687	14.4
173.13231	15.6
175.11087	2.4
175.14804	94.1
176.15669	4.8
177.12700	4.8
177.16260	2.8
183.82532	2.4
185.13245	13.3
189.16373	3.2
190.13498	3.0
199.14824	3.1
201.16295	23.8
203.14180	4.1
241.19548	11.5
259.20471	35.1
280.88794	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08017	1.2
53.03935	3.2
54.08960	1.0
55.01849	2.1
55.05500	1.6
57.03429	1.5
58.21888	1.1
60.65138	1.1
63.62913	1.2
67.05499	1.9
69.07053	3.1
71.01329	11.5
71.92764	1.2
79.05470	3.4
81.03404	1.4
81.06997	1.4
83.04946	1.3
91.05445	16.0
93.07040	2.3
95.04958	1.7
97.06501	9.7
102.96843	2.0
105.03362	1.8
105.07009	3.1
109.02881	9.9
115.05424	16.5
116.98621	3.0
117.07004	2.2
119.04937	1.5
120.97920	1.6
121.06563	1.5
123.04422	2.0
128.06184	5.8
129.07005	2.2
131.04903	1.6
131.08562	1.9
133.06448	10.0
133.07596	7.3
135.04385	1.6
141.06973	12.4
143.01889	1.6
143.08531	5.5
145.06505	2.1
145.10086	1.5
146.06062	5.0
147.04411	7.4
157.06479	2.1
158.07109	2.2
159.08070	1.7
160.03877	2.1
160.05182	58.4
160.08688	5.6
161.02295	1.8
161.05945	100.0
161.07103	17.4
163.03879	8.2
167.08530	3.4
169.06395	6.5
171.08061	2.7
173.02321	5.6
173.05891	12.7
174.06702	1.9
175.03816	5.5
184.05246	1.5
185.05972	1.8
186.06668	9.6
187.07523	5.8
188.08173	84.0
189.09073	57.7
195.07980	5.5
197.05940	3.4
198.06694	1.8
200.04709	2.9
214.06081	21.5
215.06973	23.1
216.07686	6.2
217.08604	13.8
232.07149	30.7
234.08681	8.0
259.07938	84.0
260.06540	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.36109	0.8
53.03938	1.3
55.05509	10.3
57.07070	8.2
59.04963	0.9
64.20358	0.7
65.73386	0.6
67.05187	1.0
67.05499	18.5
69.07058	12.1
71.04977	13.1
79.05476	10.1
79.40490	0.7
81.07041	76.0
83.08589	1.0
85.06529	0.9
91.05465	18.0
93.07024	32.8
95.04958	11.9
95.08585	50.3
97.06511	3.7
105.06364	1.4
105.07018	23.2
105.34605	0.8
107.08577	17.2
109.06507	20.2
109.10149	19.7
111.08058	6.5
117.07000	5.6
119.08562	31.5
120.09422	1.0
120.23725	0.9
121.06470	1.1
121.10136	11.8
123.08025	4.6
123.11687	100.0
129.06891	1.2
130.07758	3.3
131.08540	9.4
133.10121	14.9
135.08035	20.4
135.11667	5.2
137.09596	26.4
142.07765	1.4
143.08531	5.8
145.10109	18.8
147.11659	9.1
149.09601	3.7
156.09299	1.7
157.10088	5.7
159.11676	11.7
161.09528	1.3
161.13191	6.0
163.11182	1.2
165.12743	1.3
170.10876	1.9
171.11687	4.5
173.13252	2.8
175.11115	0.9
175.14775	8.9
185.13264	5.8
187.14771	1.2
189.12704	3.4
189.16406	1.9
191.14290	1.1
199.14769	1.0
201.16321	7.1
203.14314	3.0
215.17683	1.0
241.19507	4.1
259.20520	62.2
284.95053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49315	0.4
55.55701	0.4
56.47852	0.4
56.72310	0.5
57.07069	10.3
58.06585	2.3
59.41831	0.4
65.67048	0.4
67.70055	0.4
70.06571	1.0
71.08605	4.5
72.08140	34.2
85.10176	0.9
88.07597	2.4
90.09177	22.9
92.08603	0.6
101.53831	0.5
122.03436	0.4
128.81839	0.5
133.30144	0.5
137.83360	0.4
140.75974	0.4
214.25179	0.9
247.70705	0.5
258.27866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16002	0.4
56.96282	0.5
56.96556	12.8
71.95232	0.6
98.97564	100.0
100.58150	0.4
116.98600	68.3
119.01904	0.4
134.98601	1.1
134.99635	31.2
140.00235	0.5
153.00716	3.8
158.01248	0.7
220.92067	0.5
234.99721	0.7
240.98633	0.9
258.99695	16.7
277.00766	41.5
278.00964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.8
56.96560	0.7
58.99575	0.4
59.04984	0.4
66.66206	0.3
67.04227	2.2
67.05490	0.4
68.04996	0.4
69.03416	12.7
69.07056	0.8
70.02931	0.4
70.06589	0.6
71.01361	0.3
72.08124	0.4
73.01115	0.6
74.00648	6.9
81.03396	2.7
82.06575	0.8
84.04492	2.4
84.08126	11.1
85.02896	0.9
85.08458	0.8
95.04971	0.6
97.02879	2.1
99.04458	0.4
100.02184	100.0
112.07590	46.1
113.03478	6.3
113.06003	0.7
114.90958	0.3
115.03904	0.5
116.98556	0.5
118.03238	3.4
120.01176	0.5
129.10233	4.9
130.08620	58.3
146.02692	70.2
177.00598	0.8
213.06931	13.0
224.61696	0.4
259.07437	16.8
273.83704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
51.65063	0.6
53.00308	0.9
53.03937	4.2
53.15245	0.7
54.81619	0.6
55.01867	5.3
55.11539	0.6
56.96554	1.0
57.03428	9.1
59.04987	1.0
61.02911	4.6
67.05494	1.6
69.03418	100.0
71.01340	3.9
71.04966	4.0
73.02902	5.4
79.05483	1.4
81.03397	18.8
83.04989	1.2
85.02892	50.9
87.04443	1.2
91.05479	1.5
92.09393	0.8
93.07053	1.2
94.45197	0.7
95.04942	3.1
97.02871	62.8
99.04436	8.0
100.02173	8.6
109.02872	4.3
111.04432	1.1
112.07580	0.8
115.03934	4.7
119.04866	0.9
123.04376	1.7
127.03896	17.4
131.04924	1.1
135.04364	0.9
145.05006	2.9
146.02727	5.8
146.99666	1.1
155.03389	1.0
169.06113	3.0
177.00597	1.5
213.07114	1.1
241.06952	0.9
259.07822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.47573	6.0
53.03940	7.8
54.07969	5.4
54.54974	5.1
55.05508	6.3
57.07046	11.2
60.08147	13.1
63.94176	5.4
64.63117	6.4
67.05495	15.9
69.07053	28.2
73.05609	7.3
75.13557	5.9
81.03389	7.9
81.07040	9.8
91.05460	8.2
93.07008	34.3
95.08550	46.6
97.06490	14.1
99.04426	100.0
105.07008	45.4
107.08561	16.5
109.10161	27.2
109.39146	6.7
119.08586	30.4
121.10126	62.0
127.03890	40.6
131.08488	9.8
133.10139	36.7
135.08072	14.1
142.07761	12.2
142.89098	7.1
143.08566	29.5
145.10120	45.6
156.09248	7.7
157.10135	37.1
159.11694	41.8
171.11705	34.3
173.13075	23.9
183.11693	8.9
199.14847	45.7
201.12727	10.0
208.12906	6.7
213.16275	11.4
215.17940	26.2
216.22807	6.7
239.17760	10.2
256.29941	16.2
257.18918	98.9
257.30130	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97145	0.3
55.05515	0.3
56.05027	2.3
56.69131	0.3
56.96546	0.4
57.52552	0.3
61.89088	0.3
64.78608	0.3
69.03413	0.8
69.07053	0.4
69.42595	0.3
70.06573	1.9
70.74757	0.3
70.98097	0.7
72.78615	0.4
74.00627	1.2
76.81905	0.4
81.03391	0.7
82.06599	0.7
84.04493	28.3
84.08131	100.0
85.02885	0.7
88.99158	0.6
97.02882	0.7
98.03185	0.4
98.97566	1.4
99.57418	0.4
100.02190	12.9
101.10754	2.5
102.05521	0.9
108.04480	0.5
111.09185	1.4
114.37096	0.4
116.98605	0.6
118.03216	0.5
129.10223	64.3
130.05016	4.6
146.02708	8.1
158.99597	0.4
193.00221	0.5
194.12935	0.5
195.11249	3.6
213.06955	1.4
240.13455	2.0
241.11694	0.4
258.11789	1.0
258.14441	4.6
259.07571	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	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82222	0.6
55.05499	1.0
57.07071	24.2
58.06575	2.4
62.06082	12.2
64.92999	0.6
67.73242	0.5
71.08618	9.8
73.25781	0.5
74.58061	0.5
85.10159	3.9
85.28336	0.5
89.86225	0.6
92.09314	1.9
119.20781	0.6
145.64456	0.6
206.04532	0.6
240.26846	7.6
258.27869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
56.96559	5.6
57.07059	5.4
60.60807	4.0
65.03934	7.5
66.20602	4.0
67.69845	3.7
69.04033	3.7
69.43769	3.7
79.05473	5.5
83.34092	4.1
92.05010	18.0
97.00753	4.9
98.97554	5.2
116.98569	8.5
120.04385	6.4
121.00779	9.2
134.99646	5.8
139.01794	40.2
142.39575	4.6
155.07243	5.5
156.08093	4.4
162.03407	22.3
172.09964	5.2
183.06816	5.8
183.09113	6.0
184.07599	4.9
184.11284	9.3
185.10760	8.8
186.11502	18.0
197.08368	9.5
199.08656	18.9
200.09413	30.9
201.10175	5.4
201.13863	28.1
212.10733	19.8
213.06584	24.8
213.10272	20.5
214.11029	10.4
227.08122	19.3
228.08907	52.1
229.09721	31.0
229.13292	65.6
241.09671	47.0
242.10497	62.6
244.54311	4.2
257.12775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.72901	5.8
54.81391	5.3
55.05511	5.8
57.07071	6.6
64.02583	5.2
67.05482	12.6
67.06789	5.2
69.07033	10.6
69.80028	6.5
71.04988	5.7
71.64608	4.4
79.05501	20.1
84.14204	6.5
91.05455	24.1
92.08812	5.6
93.07026	27.6
95.08566	14.5
98.18008	5.5
98.97585	14.2
105.07033	49.9
107.08556	25.3
109.10140	8.2
115.05487	6.6
117.06999	11.3
119.08573	31.5
121.00784	8.7
121.10132	100.0
123.08031	5.7
128.06166	7.6
129.06938	8.2
131.08545	27.0
131.52249	6.5
132.25551	5.4
133.10132	8.4
134.99709	6.5
135.08069	42.7
139.01833	44.5
142.07742	7.1
143.08549	23.5
144.02324	6.3
145.10138	32.5
152.82106	6.2
157.10121	28.1
159.11668	22.3
169.03442	36.5
169.10164	9.5
173.13246	22.5
173.33249	6.6
197.13147	7.5
199.14861	26.8
235.11722	11.1
239.17850	8.8
257.18945	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.35425	1.4
55.01858	2.2
55.05504	8.6
55.58911	1.4
57.07071	2.0
63.23752	1.5
66.92813	1.4
67.05492	15.5
67.40479	1.4
69.07050	9.7
71.04977	4.3
73.30102	1.9
77.43666	1.6
79.05474	22.4
81.07040	12.3
85.06515	1.7
91.05473	24.8
93.07027	40.0
95.04951	14.8
95.08585	15.3
103.05524	1.9
105.07012	46.0
107.08590	33.0
109.06502	15.3
109.10165	13.6
111.08081	2.4
117.07007	14.3
119.08540	33.1
121.00786	1.6
121.10117	100.0
123.08063	8.5
128.06285	3.3
129.07018	9.7
131.08548	21.9
133.07497	2.8
133.10109	11.5
135.08029	44.6
135.11699	3.0
137.09619	7.5
139.01808	2.0
142.07787	8.8
143.08527	28.3
144.09360	2.1
145.06464	1.9
145.10100	20.2
147.11624	2.2
155.08559	2.5
156.09422	2.0
157.10121	23.0
159.11659	14.0
162.03381	2.2
169.10098	11.6
171.11662	3.2
173.13231	18.6
183.11711	4.2
184.12517	2.3
187.11148	2.2
197.13319	7.4
199.14767	25.1
213.16357	8.6
215.17892	4.1
236.26514	1.8
239.17940	9.0
257.18900	48.3
257.26620	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	256.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81696	0.3
55.01856	2.0
56.18972	0.3
57.03423	7.7
59.04976	1.0
61.02901	0.7
68.05004	1.7
69.03420	9.1
71.01322	1.9
71.04967	1.7
73.02902	2.7
77.25546	0.4
80.04987	0.6
81.03419	0.7
83.06083	6.8
85.02882	2.6
86.06037	0.3
87.00814	2.1
87.04456	1.0
96.06863	0.9
97.02872	0.4
97.07628	1.9
99.04439	3.7
101.02358	2.5
102.36215	0.3
109.07623	15.7
113.02348	0.5
115.03906	3.2
117.05462	0.9
124.03931	33.0
124.08689	100.0
125.07111	1.8
129.01814	2.8
133.05002	0.8
135.05545	0.4
143.03323	0.6
143.50145	0.4
148.08711	2.1
150.06622	4.6
153.06549	0.5
155.08173	0.6
157.01303	2.1
161.04434	0.6
163.22816	0.4
166.09711	8.1
170.09212	15.2
189.03940	3.5
194.09286	1.7
196.07193	2.4
203.05472	4.8
209.60922	0.4
212.10233	5.3
221.06509	1.6
238.08209	2.9
256.09274	4.7
274.60822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.35766	2.0
51.52029	2.0
55.05505	2.7
65.03928	5.1
67.05477	2.4
75.74479	2.5
90.39713	2.1
92.04987	11.2
93.07034	4.1
95.04923	2.7
98.97602	2.8
116.98562	3.0
120.04462	3.6
121.00753	2.6
122.06008	4.6
134.99638	3.7
139.01813	21.0
144.02325	2.9
144.08130	3.9
156.08060	2.9
159.09103	3.8
160.07607	2.9
161.98537	2.6
162.03389	12.8
168.08104	2.6
169.08827	9.4
172.09917	3.5
183.06729	4.4
184.07544	3.2
184.11198	10.3
185.06940	4.0
185.10765	11.1
186.11520	20.5
187.08636	9.3
196.09966	3.2
197.08310	11.4
199.08664	11.3
200.09349	18.6
201.10220	4.8
201.13857	33.9
212.10747	22.3
213.06548	11.9
213.10185	13.8
214.10732	16.6
227.08107	10.1
228.08910	9.7
229.09845	17.8
229.13316	81.3
241.09706	20.2
242.10466	15.3
257.12811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.86065	0.6
55.01852	1.4
56.29253	0.7
57.03425	6.3
60.88967	0.6
61.02918	13.2
61.74302	0.6
63.35662	0.6
68.32558	0.7
69.03075	0.8
69.03418	17.7
71.04977	2.9
73.02893	3.6
81.03399	6.3
81.89089	0.6
83.01306	0.8
85.02893	100.0
87.04446	3.1
91.03950	5.1
92.09247	0.8
97.02868	22.3
99.04404	4.1
109.02866	7.9
127.03902	18.9
140.80414	0.8
145.04936	31.0
163.05980	11.4
180.08691	0.8
181.88347	0.7
237.03513	0.7
237.13342	1.6
257.81174	0.7
257.90036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58930	1.8
62.98248	100.0
63.35468	1.5
66.92511	1.8
80.08302	1.8
104.99245	14.0
112.01485	2.3
129.48270	1.9
129.63771	2.2
131.00766	2.9
144.98714	52.6
154.94127	2.6
156.97531	4.7
156.98708	38.9
172.95158	3.1
174.98547	5.7
174.99765	14.8
189.00031	4.1
190.96242	2.6
208.03714	1.8
213.00092	4.1
236.94061	3.0
236.99794	7.2
254.95084	3.0
255.06163	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	255.1074
Annotation	Lilioside B
Peak:m/z	Relative Intensity
53.19758	0.9
55.01867	1.5
56.96567	1.2
57.03433	51.8
58.84837	1.0
61.02919	100.0
62.72609	1.1
66.09111	1.1
67.78591	1.2
69.03419	11.9
71.01334	1.3
71.04984	1.7
72.64221	1.0
73.02905	46.3
75.04469	25.4
81.03415	5.4
83.01355	1.3
85.02895	86.3
87.04474	1.3
89.20757	1.1
91.03941	64.6
93.05506	32.7
97.02884	38.8
99.04431	5.7
101.02356	1.6
109.02871	2.4
110.88100	1.0
115.03915	2.4
117.05499	2.1
122.56128	1.4
123.98380	1.2
124.03938	6.7
124.08736	4.2
127.03866	10.7
143.85582	1.2
145.04939	15.7
163.05960	14.4
168.51558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.45533	4.5
55.01872	4.5
55.05490	31.0
56.96549	7.6
57.07064	6.7
57.91992	5.4
67.05489	89.0
69.03408	7.6
69.07060	45.0
71.04975	56.6
71.90867	5.0
79.05464	20.0
79.87666	4.9
81.07037	63.7
83.04958	11.3
83.08572	6.8
89.69057	4.5
91.05460	25.1
92.08630	12.1
93.07040	44.1
95.04935	67.2
95.08564	35.9
97.06486	5.6
98.97544	12.5
105.07005	55.9
107.08571	72.3
109.06498	6.7
109.10146	100.0
111.08053	6.6
115.56091	4.7
116.98611	5.3
119.08582	51.1
121.06525	5.8
121.10130	37.8
123.08044	5.5
125.09606	28.6
131.08527	12.6
133.10100	22.8
135.08052	6.8
135.11656	27.4
138.22722	4.6
145.10114	30.9
147.11685	57.9
153.12688	23.0
174.16663	5.5
189.16336	22.7
217.15862	21.6
235.16895	33.7
253.17943	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	251.1641
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
51.94077	5.2
55.05504	36.9
56.96553	30.1
57.07062	12.0
59.04987	8.5
61.09310	5.2
65.04273	5.1
67.05192	5.0
67.05486	41.7
69.03413	27.3
69.07057	31.2
71.04983	100.0
79.05479	33.1
81.07039	50.0
83.04972	32.8
83.08578	39.8
85.06538	21.0
87.04453	11.0
91.05467	46.8
93.06995	40.3
94.93477	5.6
95.04951	68.8
95.08592	29.1
97.06521	46.0
105.07001	45.3
107.04996	8.0
107.08569	48.4
109.06509	24.7
109.10161	24.0
111.08075	7.3
112.78644	5.8
117.07011	8.7
119.08560	64.1
121.06492	11.6
121.10122	68.3
123.08051	27.7
123.11733	12.9
125.05994	39.3
131.08548	23.0
133.10106	31.8
134.99713	6.0
135.08041	9.0
135.11688	7.6
137.09627	37.4
145.10071	48.1
147.04449	5.7
147.08002	49.4
147.11691	27.9
149.09557	44.5
151.07472	9.0
157.10141	10.5
163.11176	49.5
173.13214	7.1
181.12187	9.7
191.14330	10.9
215.14218	7.2
219.41109	5.4
233.15332	45.9
251.16386	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Deodardione
Peak:m/z	Relative Intensity
55.01872	0.9
55.05505	15.1
56.96538	0.9
57.07059	1.4
58.74877	0.7
59.04981	3.7
60.12356	0.7
64.26196	0.9
65.57381	0.8
67.05482	7.2
68.54971	0.8
69.03433	3.0
69.07056	24.2
69.31826	0.8
70.95851	3.7
71.04955	1.0
72.93767	1.6
75.14269	0.8
76.56295	0.9
78.67096	0.8
79.05481	13.3
79.36777	0.9
80.74687	0.8
81.03397	1.2
81.07040	13.8
82.13813	0.8
83.04964	20.2
83.08618	1.8
91.05473	8.4
93.07026	41.1
95.04950	4.3
95.08579	14.3
97.06526	2.0
97.10168	0.9
98.97564	1.4
105.07023	12.3
107.08605	7.7
109.06506	1.7
109.10166	2.0
111.04433	15.2
111.11711	5.4
111.98511	1.4
113.96366	4.3
119.08563	4.3
119.63329	0.9
121.10129	68.9
123.08029	3.2
123.11677	0.9
129.99486	1.4
131.08516	2.0
131.97359	1.0
133.10075	1.9
135.08052	1.0
139.11139	3.6
145.10127	3.9
149.09595	23.6
167.10643	100.0
173.13274	1.1
183.69780	0.9
189.12819	1.0
197.63661	0.9
215.14363	1.1
233.15279	1.9
244.99776	0.9
251.12415	1.6
251.16386	8.6
270.92047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01860	0.4
56.96544	0.5
57.03425	2.1
57.86746	0.4
59.04990	2.1
61.02917	3.1
67.05489	2.0
69.03412	5.9
73.02875	0.6
73.06537	100.0
81.03412	1.8
81.07014	0.5
85.02892	23.4
91.07570	3.8
97.02885	5.1
98.97583	1.5
99.04442	0.8
105.14817	0.4
109.02875	1.8
113.23540	0.4
119.05018	0.4
127.03909	2.4
145.04933	1.7
147.04390	0.8
158.99692	0.6
160.08766	0.4
177.00656	0.6
240.80734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64667	5.8
57.08657	5.8
57.99724	5.5
61.50709	5.4
62.38308	5.9
64.33420	7.7
65.86390	5.9
249.03645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07254	1.3
57.03430	3.7
59.04990	3.4
61.02915	19.3
69.03417	100.0
71.04975	3.5
73.48378	1.7
77.30302	1.6
80.28311	1.7
81.03383	8.0
85.02891	35.1
87.04457	47.1
94.69791	1.7
99.04439	31.5
103.03926	54.3
106.25297	1.7
113.62396	1.6
119.84995	2.3
127.03898	23.8
127.64275	2.2
129.05447	27.1
147.06502	50.9
193.40982	2.0
213.07487	2.1
218.94940	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	251.1638
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
51.62630	2.1
53.03935	3.1
55.01863	3.4
55.05501	34.3
56.14162	2.2
56.96544	3.4
57.07065	10.9
57.52539	2.7
59.04984	16.8
60.06937	2.5
67.05489	23.4
69.03412	22.8
69.07050	15.5
71.04979	40.9
79.05480	26.5
81.07044	28.9
83.04960	21.1
83.08604	28.8
85.06530	15.4
91.05462	38.2
93.07014	25.2
95.04951	33.8
95.08578	33.1
95.93754	2.7
97.06518	24.8
105.07004	36.1
107.04922	11.8
107.08583	42.0
107.77944	2.5
109.06515	18.3
109.10134	26.3
111.08079	12.5
113.05959	6.0
117.07003	11.1
119.08571	71.2
121.06499	13.5
121.10123	54.9
122.39548	2.5
123.07989	20.3
123.11661	11.0
125.05957	5.3
125.09616	3.9
129.06967	4.8
131.08540	19.9
133.10121	28.4
133.66261	2.6
135.08049	16.2
135.11638	5.9
137.09604	55.9
139.65981	2.8
142.07794	4.7
145.10118	36.4
147.08029	100.0
147.11655	25.0
149.09586	18.5
151.07483	3.2
151.14792	4.8
153.09180	3.4
157.10101	10.3
159.11621	4.0
161.09637	3.7
161.13251	3.7
163.11131	30.2
171.11723	3.3
172.14082	2.8
173.13197	6.7
175.11168	23.7
179.14302	14.8
191.14252	10.8
193.12260	3.7
205.15891	2.8
215.14284	14.3
233.15268	52.1
251.12581	3.9
251.16367	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27607	0.7
53.78423	0.6
55.05507	10.7
57.03435	14.1
57.07073	5.5
58.99574	5.6
61.01141	6.2
62.99055	4.5
67.05138	1.6
67.05493	35.2
69.03452	0.9
69.07053	4.9
71.04986	3.3
71.08617	11.4
74.82947	0.8
76.02215	15.6
77.00614	1.5
79.05466	1.5
79.89911	0.8
81.07047	3.9
83.08600	5.9
86.99034	4.7
89.00095	1.4
89.00603	22.4
93.07001	0.8
97.10162	8.3
98.97546	0.8
99.08078	4.7
103.02127	0.7
104.39790	0.7
105.00078	7.7
107.08587	5.2
109.10144	19.2
113.50880	1.0
122.02711	41.0
127.11169	30.3
159.08363	100.0
164.64500	0.9
169.33557	0.7
248.12999	5.6
256.10355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1288
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.01853	0.7
55.05508	7.9
56.05025	4.0
56.96548	4.5
59.93297	0.6
66.70325	0.7
69.03415	3.3
69.99304	0.6
70.06574	0.9
72.04796	0.7
72.08142	100.0
73.06486	0.8
83.04977	1.3
84.04494	87.9
85.02899	1.4
85.06529	3.4
90.94792	0.8
91.74443	0.7
97.02886	1.0
98.97577	1.5
102.05520	3.6
118.08643	25.2
127.03854	1.0
130.04976	11.1
134.99644	0.9
135.53508	0.9
138.09143	1.5
150.99229	0.9
156.10179	6.8
184.09697	16.9
203.10983	1.7
230.10280	4.2
247.12822	12.2
257.61514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.144
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
56.05022	4.7
56.96548	4.2
58.06602	9.5
60.27591	0.7
69.03427	1.5
69.07040	1.4
72.04503	1.9
74.06053	3.7
79.05462	1.8
79.39477	0.9
80.04992	4.1
81.03393	1.1
81.07018	1.3
84.04498	12.0
84.15482	0.9
84.41756	0.9
85.02872	1.2
85.06528	6.0
86.09698	10.7
88.03960	8.9
88.60452	1.1
90.94795	1.3
91.05467	1.7
94.06552	5.2
95.08595	0.9
96.08164	1.0
98.97575	1.7
107.04954	1.6
110.02386	2.1
110.06088	3.9
113.10775	1.2
115.05412	2.0
116.07089	3.9
116.98608	1.7
118.08646	4.5
122.06026	12.5
124.07553	8.6
127.03883	1.1
130.06541	1.3
132.08060	3.6
132.10220	2.3
134.08099	4.3
134.99660	2.0
136.07581	4.8
138.09155	1.8
140.10675	1.7
141.10234	1.5
143.07281	1.5
144.06578	2.3
144.08055	2.2
151.03860	1.2
157.07634	1.8
158.08464	1.1
158.09642	3.5
162.09131	1.3
166.08650	2.0
168.10138	3.0
169.07582	1.8
170.08188	1.6
171.09192	6.9
174.09129	6.5
176.10658	8.0
183.09164	1.5
184.09880	2.1
185.10606	0.9
186.09053	1.1
187.10783	1.7
188.10603	0.9
200.09441	4.4
201.10306	1.4
201.12262	1.6
202.10892	8.1
203.11757	5.2
215.11812	2.0
216.12546	1.1
229.11736	1.7
238.21408	1.4
245.12914	5.8
247.14407	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68628	1.8
53.03930	10.3
55.01863	12.7
55.05495	5.0
56.96556	32.2
57.03426	21.5
57.66508	2.4
58.06601	2.4
61.02905	15.5
67.05472	2.3
69.03418	59.6
69.07056	4.6
70.06569	17.3
71.01326	5.1
71.04959	10.2
72.08158	21.7
73.02897	28.6
73.58551	2.2
81.03410	20.0
84.04480	11.9
84.08120	15.3
84.96024	5.4
85.02895	74.9
85.06512	3.0
86.03542	12.0
86.09692	69.6
87.04453	18.9
90.22990	2.3
91.03945	2.8
97.02877	89.4
97.43066	2.5
98.03203	2.6
98.06042	10.7
98.97556	34.7
99.04424	10.9
99.71871	2.6
100.07648	2.6
101.00861	5.5
105.96300	2.8
108.02405	5.7
109.02857	16.3
110.97592	4.8
111.02961	3.0
113.03472	3.1
114.02406	4.0
114.61607	2.3
115.02398	3.9
115.03185	4.4
115.03930	12.0
116.98630	21.2
118.08658	4.1
119.01921	17.1
124.99132	4.7
126.05545	2.9
127.03089	3.0
127.03911	16.5
128.02252	2.5
128.07063	3.5
128.98579	15.5
129.02962	2.6
130.12300	3.7
131.01848	10.2
133.03468	11.9
134.99629	14.6
143.00177	9.7
143.01860	2.8
145.03438	5.7
146.99649	18.5
150.03432	4.7
155.01865	12.4
157.03502	3.8
158.99655	9.3
159.03935	36.5
161.02895	9.0
165.00632	4.5
167.02834	9.4
170.99603	13.2
171.01123	2.3
173.02936	100.0
174.03090	15.4
174.04446	3.9
175.04518	3.5
176.03279	2.7
177.00740	8.3
185.02930	9.3
189.00662	15.6
191.03902	24.5
196.66016	2.7
197.02907	17.3
199.04558	3.5
205.00230	5.7
209.02916	5.2
211.04488	4.5
215.03986	13.5
219.01695	10.2
221.02820	4.1
221.04980	8.8
223.01231	3.1
223.04532	3.1
225.02974	2.6
227.04008	9.0
229.05475	2.8
229.08090	2.7
231.05855	2.8
237.02737	25.7
239.04050	19.8
239.11705	2.8
240.04202	3.9
247.04410	5.5
247.07848	24.9
247.16505	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	245.1382
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.65076	0.7
55.01870	21.2
55.05508	12.4
57.03428	1.7
57.07064	0.8
59.04989	1.4
65.03920	0.9
67.05494	34.0
67.16133	0.6
69.03423	0.7
69.07065	6.6
71.04977	7.1
72.93771	0.7
73.87375	0.6
73.94516	0.6
79.05477	17.7
81.03381	1.3
81.07042	19.9
83.04970	52.6
83.08606	10.8
85.02905	4.6
85.06524	3.1
90.94822	0.9
91.05468	6.7
92.09332	1.6
93.03381	1.0
93.07027	25.5
95.04944	3.9
95.08591	9.2
97.06513	11.2
97.10159	4.6
99.04441	5.9
99.08102	2.9
101.02411	0.8
103.29771	0.6
105.07001	5.1
107.04955	5.1
107.08591	15.5
109.06518	2.7
109.10151	11.6
111.04433	100.0
111.08073	33.1
117.07015	5.7
119.08569	8.8
121.06499	2.9
121.10126	16.4
121.72649	0.7
125.05982	3.0
125.09610	0.9
129.07018	1.4
130.39302	0.9
131.08575	8.8
135.08051	1.1
135.11667	21.6
135.89732	0.7
139.11157	1.3
139.29518	0.7
145.10100	17.1
147.08081	1.2
147.11656	3.1
149.09647	5.9
152.21422	0.7
153.12729	28.1
155.08539	3.2
163.09787	1.6
163.11160	40.6
173.09584	9.6
176.04462	0.7
181.12212	44.2
191.10645	42.5
209.11771	10.3
227.12746	40.1
229.12941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0758
Annotation	Delbine
Peak:m/z	Relative Intensity
50.24829	0.4
51.88475	0.4
55.05495	1.0
55.93521	0.6
56.05013	0.9
56.96538	0.9
58.72527	0.4
68.05005	0.5
69.03400	0.5
72.08122	3.3
72.08467	0.5
72.93786	2.0
78.99300	0.5
81.07033	0.9
84.04490	10.0
85.02885	2.0
86.06053	0.7
86.09655	0.7
90.94815	2.0
96.04450	1.0
110.09637	2.1
112.81277	0.5
113.96429	0.6
114.05513	2.0
116.10739	0.7
116.98514	0.6
128.04948	0.8
130.04988	3.7
131.97617	0.5
137.05850	0.6
138.09120	1.3
142.04993	2.0
149.96115	0.6
154.06476	0.9
154.69266	0.5
156.04375	0.8
156.10153	2.5
163.01791	0.7
174.05481	1.2
181.02852	2.6
182.11800	2.6
184.09630	1.2
186.97403	0.5
200.03926	1.0
200.07037	25.8
200.12918	0.5
201.07782	10.4
202.10730	6.5
218.08090	1.3
233.06825	1.1
246.07567	100.0
247.07869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92891	1.1
55.05509	29.5
55.88706	1.3
55.93525	16.4
56.96554	2.9
57.05384	1.2
57.05744	1.1
58.06588	6.0
61.02923	2.9
69.03405	3.4
70.06600	2.4
71.57478	1.4
71.92986	3.3
72.08138	3.3
72.93774	63.9
73.94551	2.3
81.03398	2.1
83.04971	100.0
83.06060	2.0
84.04485	7.0
85.02898	14.5
89.94034	3.4
90.94817	59.9
95.04951	1.5
97.02895	2.0
97.55334	1.5
98.97584	1.7
99.04440	2.8
103.03934	17.3
107.04919	1.8
107.95081	2.6
108.95843	18.8
109.02878	2.1
113.03505	2.7
113.96387	10.5
114.05502	2.0
116.07053	1.5
117.03350	1.4
120.97845	1.8
124.07584	1.5
125.96081	3.2
128.94943	1.5
128.98546	1.5
130.04979	2.1
131.97404	9.2
132.95874	2.0
143.07019	41.9
146.08061	1.4
147.77441	1.5
149.01218	2.8
149.96100	37.9
150.96899	8.1
156.10326	1.4
163.03882	3.6
167.95868	3.0
167.97150	42.6
172.97710	14.6
190.98701	11.1
245.04379	1.8
245.10028	7.1
245.14990	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	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.05511	28.3
55.28190	1.5
55.93523	16.3
56.96553	4.3
57.03404	1.5
57.41805	1.4
58.06579	9.9
58.89629	1.5
59.68688	1.5
61.02911	3.6
63.22236	1.5
67.05488	2.0
69.03428	1.6
71.92994	2.2
72.08128	3.8
72.93372	3.2
72.93775	71.1
73.94547	2.6
79.05463	1.8
81.03383	3.0
81.07054	1.9
83.04970	100.0
83.06066	3.0
84.04494	3.6
85.02894	15.7
88.05714	1.8
89.94031	8.2
90.94804	66.8
91.05470	1.9
97.02853	2.3
100.11262	2.3
103.03925	20.4
105.93496	2.3
107.04960	2.2
107.95026	3.1
108.95847	22.3
113.03476	3.2
113.96390	12.2
116.07113	2.4
124.07603	2.6
125.96088	4.0
126.82155	1.8
130.05011	7.1
131.97440	9.6
132.95830	3.3
135.04337	3.0
142.05057	2.3
143.07021	44.7
149.96077	34.0
150.96843	4.4
163.03807	6.8
167.97147	51.1
172.97681	21.8
190.98662	12.8
200.06889	1.9
245.09961	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	245.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44760	0.2
53.03936	0.7
53.34865	0.3
54.38092	0.3
55.05506	16.0
55.93524	2.9
56.96558	0.7
57.03404	0.5
58.65406	0.3
58.71250	0.3
59.04988	0.6
61.02906	0.7
62.67707	0.4
69.03414	7.8
69.26288	0.3
71.04958	0.4
71.92992	0.6
72.93773	12.5
73.94558	0.5
77.74450	0.4
80.20348	0.3
81.03400	1.8
83.04964	100.0
85.02891	1.8
86.09696	0.8
89.94032	1.7
90.94807	11.9
92.08578	0.4
93.60751	0.4
97.02864	3.5
98.97578	0.4
99.04450	0.6
101.06002	4.5
102.96817	0.7
107.04936	0.6
107.95109	0.6
108.95842	4.2
109.02917	0.6
113.96396	1.8
125.96098	0.5
127.03897	0.9
131.97409	1.6
138.98918	0.5
144.74901	0.4
149.96095	6.9
150.96854	0.4
167.97125	10.3
172.97694	3.9
190.98761	2.8
196.05983	0.4
245.04567	0.6
245.10263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
50.96645	0.5
53.03926	1.0
54.81586	0.6
55.01853	2.5
64.33424	0.4
65.03928	0.5
67.05477	0.8
68.99784	5.3
71.01331	2.5
72.93775	3.7
79.05468	6.5
81.03389	3.1
89.03865	0.8
90.94806	2.9
91.05457	3.2
92.05817	2.5
92.09411	0.6
95.04968	3.9
103.05457	0.6
105.04535	0.7
107.04942	100.0
107.08522	0.7
109.02864	7.3
109.06507	0.6
110.03623	1.0
111.04412	5.3
114.65276	0.6
115.05447	3.2
117.03360	1.0
119.08566	0.7
121.02878	4.0
121.10109	0.7
123.04408	13.1
128.06212	6.7
129.06984	6.8
131.04895	2.0
131.08572	2.5
133.02858	0.8
134.03595	4.7
135.04396	50.9
136.05182	22.7
137.02284	0.9
137.05942	3.3
137.87228	0.5
141.06940	4.8
142.07309	2.7
143.04955	0.7
143.07616	1.8
143.08635	3.9
145.06522	0.6
147.04384	0.8
149.96136	1.0
152.06184	8.1
153.06984	24.5
157.06461	6.7
161.05998	4.3
167.97156	2.3
169.06450	4.5
170.06808	2.4
171.08173	7.4
173.05920	1.0
175.07549	0.6
181.06441	30.5
184.05205	2.3
185.06026	0.7
197.06012	4.0
197.75174	0.6
198.06334	4.2
199.07622	29.5
203.07095	0.5
209.05948	3.3
209.88826	0.5
210.06612	0.6
216.07463	0.9
217.07597	1.1
226.05739	0.6
227.07133	8.4
244.06966	1.0
244.16019	0.7
245.08047	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99812	0.2
65.28767	0.2
68.13429	0.2
72.93780	0.2
74.34438	0.2
82.99821	0.4
90.94823	0.2
98.95216	0.2
100.02438	0.3
101.00855	11.5
102.00959	0.4
116.98607	0.2
119.01897	100.0
120.01974	4.0
124.02394	0.4
133.03407	0.2
134.99731	0.2
135.99954	0.8
137.02931	42.8
138.02998	1.9
142.03477	10.6
143.01912	0.4
145.03468	0.2
145.04561	0.2
154.01036	0.3
159.99994	0.2
160.04510	4.8
161.02927	13.1
165.80537	0.2
177.00830	2.7
178.00996	15.1
179.00717	2.6
179.03973	30.3
184.04482	1.9
185.37762	0.2
185.39592	0.2
194.04149	0.2
196.02130	0.3
197.01326	0.2
202.00998	0.3
202.05560	2.0
203.04004	0.9
218.04163	2.3
219.01970	1.1
220.02087	14.5
221.01105	3.8
221.04965	1.9
226.00899	0.4
227.58086	0.2
238.98270	0.3
239.01974	0.4
244.01973	2.0
261.02951	0.2
262.03131	35.9
263.02802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	6.9
55.05503	46.8
56.96541	6.5
57.03422	18.2
62.71136	4.2
67.05496	44.6
69.03419	7.4
69.07053	18.8
71.04921	5.8
71.10785	3.2
73.30888	4.0
79.05467	48.5
79.96487	3.8
81.03401	100.0
81.07035	47.4
83.04961	43.4
83.08608	31.5
85.02880	20.5
85.06538	5.9
86.09651	7.7
91.05455	44.0
93.07018	28.3
95.04945	48.0
95.08575	24.1
97.06506	5.6
105.06995	27.1
107.04951	5.2
107.08562	6.4
109.06501	8.3
109.10098	15.3
111.08072	9.6
115.05458	4.1
116.98598	6.9
119.08537	36.1
121.10101	9.3
129.06963	7.2
131.08537	15.4
133.10121	9.0
134.99605	5.0
136.99199	4.5
147.11653	8.8
149.09496	5.0
157.10091	24.0
175.11137	22.8
193.12233	62.4
203.10960	4.2
211.13261	73.6
225.14865	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	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47321	0.2
53.03725	0.3
53.03948	5.8
54.41890	0.2
55.05495	0.3
57.03423	0.4
63.33977	0.2
64.25224	0.2
65.92181	0.3
69.03419	8.5
71.04980	1.8
73.59921	0.2
81.03406	100.0
83.04963	1.2
85.02901	0.7
95.04950	3.6
97.02870	2.2
99.04444	3.8
107.04972	0.3
116.69652	0.3
123.04420	1.5
127.03910	1.1
135.04396	0.3
145.24829	0.3
154.63206	0.3
216.19153	0.3
225.07632	0.3
243.08643	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	243.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
53.93984	1.4
55.01857	1.9
56.96565	2.8
57.03428	2.1
61.02923	3.1
65.03931	2.3
67.05492	6.2
69.03410	16.1
69.39698	1.3
69.95723	1.6
70.06582	1.8
70.94234	2.3
71.04975	21.0
79.05463	8.4
81.03405	100.0
81.07011	2.2
83.04993	2.5
85.02882	6.2
86.09698	2.6
88.65810	1.5
88.95280	2.4
91.05456	6.2
95.04949	40.9
97.02870	2.5
98.97556	3.6
99.04443	12.9
103.03902	3.8
105.07060	5.3
107.04940	8.9
109.02863	3.0
109.06539	5.7
116.98628	2.5
119.04923	8.3
119.08562	1.5
121.02850	8.2
123.04431	16.9
127.03915	6.2
133.06433	3.3
135.04398	2.7
137.02292	3.1
143.11388	1.6
147.04265	2.4
161.05969	2.7
165.05473	2.2
165.97639	2.0
179.69150	1.5
191.76311	1.7
207.06554	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98281	0.3
52.24098	0.2
53.38192	0.3
54.31544	0.3
56.89016	0.3
61.67471	0.3
68.55024	0.3
89.85592	0.3
98.97558	2.2
101.00874	3.7
116.98625	1.8
119.01899	28.0
120.01963	0.4
134.99783	2.4
137.02933	10.8
137.03998	0.4
140.98825	0.3
142.03468	3.4
153.00876	1.3
158.99876	1.5
160.04501	4.3
161.02817	0.3
168.84966	0.3
175.02969	0.4
177.00911	47.2
178.01053	1.5
178.05576	1.9
179.03998	0.3
182.99843	0.3
193.04128	0.6
195.02023	1.3
201.00842	0.6
217.04059	4.4
219.01971	44.0
220.02116	2.3
225.00873	1.1
234.00652	0.5
243.01900	5.6
261.03009	100.0
262.03238	1.6
263.03503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid
Peak:m/z	Relative Intensity
54.81547	0.5
55.01873	4.8
55.43291	0.5
55.57882	0.6
65.03925	0.7
68.99767	2.8
73.99430	0.6
81.03393	0.7
86.27098	0.7
91.05464	72.9
92.05786	14.7
96.75934	0.7
115.05426	14.5
117.07017	1.1
131.08501	1.3
141.06976	66.4
141.66756	0.7
145.06470	9.7
150.09175	1.7
151.09491	0.9
152.06171	1.0
155.04909	1.1
159.04469	1.3
159.08025	3.3
168.05707	3.3
169.06461	69.0
173.05974	15.9
179.06052	1.0
181.10068	1.3
187.07515	7.8
197.05952	100.0
198.06729	0.8
200.04645	1.6
214.06059	0.9
215.07010	26.4
215.08942	1.3
225.05440	26.0
225.07529	1.2
242.15346	8.0
243.06461	16.2
243.15599	6.4
245.08177	1.1
250.32683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
56.96539	9.7
67.05447	2.1
69.07072	2.4
72.93719	2.0
81.03397	9.1
85.02914	4.0
85.77337	2.1
98.97549	14.9
99.97887	2.5
107.20149	2.2
112.03747	3.4
112.74593	2.2
116.98591	14.2
123.04395	2.9
124.03848	3.5
134.99634	14.6
153.05141	4.3
158.84279	2.1
167.86172	2.2
175.02803	3.1
179.21715	2.2
201.00534	2.7
224.09013	9.6
225.39336	2.3
242.07518	3.4
242.09958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68573	0.6
56.96545	1.7
57.07046	4.2
58.06576	3.8
62.37006	0.6
73.25323	0.7
74.09679	0.8
82.35981	0.7
92.09229	1.2
95.08591	0.8
98.97573	7.9
99.97899	1.6
100.11246	27.5
107.04925	1.7
116.98624	8.5
117.98923	1.5
118.34447	0.7
118.96759	0.8
128.14299	1.8
130.15875	7.0
131.80634	0.7
134.99657	7.1
135.99956	1.0
142.15895	69.2
153.00693	1.7
169.29755	0.8
177.98064	1.2
184.20576	8.0
186.22148	19.8
242.28380	100.0
243.10147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.41980	1.5
55.05503	41.1
57.07063	14.9
59.04996	19.0
67.05492	23.2
69.06711	3.0
69.07054	45.5
71.04973	21.7
71.08627	1.7
73.06542	2.5
79.05467	23.8
81.07038	98.0
83.08615	20.6
85.02872	2.4
85.06528	11.4
91.05462	17.7
92.08644	2.3
93.07025	48.4
95.08581	74.5
97.06509	8.4
97.10141	11.5
98.97523	3.5
99.08053	9.5
105.07018	30.1
107.07864	3.6
107.08578	97.6
109.06499	3.9
109.10136	40.0
111.08070	2.2
111.11703	12.2
116.98592	2.8
119.08562	54.7
121.10104	18.2
123.08029	2.8
123.11674	25.9
125.09605	4.0
127.11182	10.2
133.10089	34.5
134.99620	3.0
135.11668	100.0
137.09593	3.0
137.13199	20.5
139.11125	3.0
143.10686	4.7
147.11699	19.8
149.13248	12.9
151.84355	1.8
153.12753	2.9
161.13226	12.5
163.14806	8.6
165.12767	2.7
193.19562	1.9
198.18526	28.2
203.17938	40.1
221.18977	29.8
239.08861	70.7
239.19994	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	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74126	0.5
54.81857	0.7
63.48436	0.6
64.33607	0.7
67.30813	0.7
79.47086	0.6
111.06477	0.7
115.05214	0.6
119.01915	1.0
120.63365	0.6
138.96407	2.7
156.08392	0.7
156.97452	73.4
174.98500	100.0
179.99040	3.5
180.90331	0.8
189.90213	0.7
198.00049	3.8
198.98483	16.2
216.99561	54.3
225.75374	0.8
239.08865	12.5
240.01271	0.9
240.09167	5.6
249.23352	0.7
252.48083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81968	1.6
55.01868	25.1
55.73554	1.3
56.73881	1.2
57.03431	32.0
58.06582	7.5
59.04986	6.3
61.02920	12.8
69.03414	16.1
70.06572	2.1
71.01347	17.6
71.04972	9.7
71.23766	1.3
73.02901	21.7
81.03413	6.9
83.01330	6.2
84.08120	3.1
85.02891	100.0
87.04457	30.7
89.02384	9.1
91.03954	5.5
97.02869	21.6
99.04433	3.2
101.02356	45.2
103.03922	3.7
105.01832	1.7
109.02861	7.1
109.59669	1.6
111.00778	6.5
113.02372	2.6
115.03910	69.4
117.01817	2.1
123.04418	3.1
126.55508	1.5
127.03896	21.4
128.10666	1.7
129.01814	90.1
131.03299	2.1
133.04956	5.9
141.01791	2.3
143.03381	28.0
145.04936	32.0
147.02898	2.2
149.08174	1.5
157.01305	67.2
157.02588	2.4
161.04440	42.0
163.05986	11.9
171.02876	2.8
175.02347	2.1
189.03917	99.6
207.04979	8.7
224.07672	3.2
225.05771	1.7
241.15393	22.6
241.17209	1.4
242.15677	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	239.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05505	55.9
56.24065	0.5
64.14378	0.5
65.03931	3.2
66.63049	0.5
72.60871	0.5
73.06537	28.2
88.73634	0.5
91.07578	12.8
93.03391	1.2
102.92869	0.6
111.04387	0.5
121.02837	12.5
121.03829	0.8
134.49149	0.5
142.52983	0.5
149.02322	100.0
151.77837	0.5
167.03331	0.8
178.19052	0.5
179.12746	0.5
193.21907	0.5
198.18565	2.8
221.08104	0.7
224.74658	0.6
239.08878	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	239.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05505	55.9
56.24065	0.5
64.14378	0.5
65.03931	3.2
66.63049	0.5
72.60871	0.5
73.06537	28.2
88.73634	0.5
91.07578	12.8
93.03391	1.2
102.92869	0.6
111.04387	0.5
121.02837	12.5
121.03829	0.8
134.49149	0.5
142.52983	0.5
149.02322	100.0
151.77837	0.5
167.03331	0.8
178.19052	0.5
179.12746	0.5
193.21907	0.5
198.18565	2.8
221.08104	0.7
224.74658	0.6
239.08878	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	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.85485	1.7
54.83130	1.6
55.01863	2.2
55.05493	10.4
57.07049	9.6
59.04992	4.3
67.05491	12.1
69.03393	2.1
69.07041	4.9
71.04974	7.6
79.05463	9.0
81.07040	24.5
83.04951	10.2
83.08600	4.2
85.02885	12.3
85.06505	3.0
91.05447	11.4
93.07012	22.4
95.04932	10.5
95.08578	11.9
97.06477	3.5
99.04430	4.8
105.07000	10.0
107.08590	20.6
109.06509	26.1
109.10141	11.3
111.08038	10.1
117.06977	4.8
119.08546	13.1
121.06527	20.6
121.10098	10.0
123.08051	3.8
123.11668	2.4
131.08540	11.0
133.10101	11.6
135.08054	18.1
135.11676	8.7
137.05975	13.3
139.07532	4.0
143.08517	2.0
144.09312	9.0
145.10120	3.3
149.13173	3.4
151.07520	4.9
159.11664	37.4
161.09558	2.0
163.07523	14.8
172.23372	2.5
173.13225	3.3
177.12695	12.0
179.10513	2.2
181.08534	20.7
196.97409	2.0
219.13756	12.1
219.17421	3.5
237.14806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0347
Annotation	Isosorbide dinitrate
Peak:m/z	Relative Intensity
58.85129	0.8
62.98249	25.9
72.30450	0.8
76.56044	1.0
79.00930	0.8
80.94846	0.8
96.92217	19.6
104.99259	22.5
131.00795	7.0
144.98759	1.1
173.01830	1.0
215.27080	1.1
219.02370	1.2
237.03426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
52.15519	0.1
53.92096	0.1
55.05505	0.2
55.48309	0.1
56.96547	0.2
57.07058	0.2
63.86609	0.2
71.01322	0.2
74.02422	7.5
81.07033	0.4
83.05007	0.2
85.02881	0.2
91.05441	0.7
93.07016	0.2
95.04972	0.2
95.08588	0.2
97.06469	0.2
98.97556	1.1
105.07030	0.2
107.08548	0.3
116.98580	1.0
118.06512	2.1
128.04932	5.7
130.06490	0.7
132.04414	1.3
132.45605	0.2
134.99651	0.3
135.11714	0.4
146.05989	100.0
148.03937	1.4
148.54567	0.2
157.07538	0.2
158.05991	0.7
159.02908	0.2
159.11566	0.2
172.95238	0.3
173.07045	0.8
174.05479	0.2
175.08629	0.2
189.82268	0.2
190.95244	0.3
191.08110	0.7
219.07603	1.2
237.08656	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	237.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57156	0.4
52.62526	0.4
53.03942	3.7
55.01856	2.8
55.05502	0.8
56.90765	0.5
56.96564	4.8
57.03429	9.1
57.07062	3.0
61.02913	12.6
67.05456	1.6
69.03416	23.5
69.07051	1.3
69.26933	0.4
70.06569	0.6
71.04961	2.7
73.02899	5.3
73.03228	0.5
79.05469	1.0
81.03397	9.0
81.07024	3.7
83.01305	0.9
85.02892	100.0
87.04443	2.6
89.03890	0.6
91.03913	4.8
91.05487	0.9
93.07018	2.2
95.08572	1.3
97.02877	20.4
97.06482	0.6
98.97568	8.7
99.04440	4.0
101.02368	0.7
105.07006	1.1
107.04959	0.7
107.08567	2.3
109.02863	5.9
109.10136	1.2
115.03926	1.2
116.98584	7.0
117.06987	0.7
119.08546	1.1
120.23376	0.5
121.10152	1.0
127.03899	15.9
131.04916	0.5
133.02835	0.6
134.99637	5.5
135.08043	0.6
135.11604	0.6
137.05960	0.7
139.01814	0.7
145.02972	0.6
145.04944	15.4
145.10123	0.7
146.05984	4.9
147.08078	0.7
153.00603	0.7
154.93146	0.7
159.11719	0.8
163.03847	0.9
163.05957	1.0
165.03442	1.0
172.94148	0.9
175.07501	1.2
177.00662	1.2
177.03296	0.7
190.95293	2.6
195.01602	0.7
203.02327	0.6
217.60922	0.6
219.17397	0.6
237.18584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81869	0.3
56.96553	0.3
57.49149	0.3
81.04512	0.4
83.04999	0.3
92.08712	0.7
93.06966	0.3
98.16262	0.3
98.97556	0.5
112.16438	0.3
112.60378	0.3
114.30700	0.3
115.50323	0.3
118.06571	0.6
120.08092	13.0
130.06511	100.0
131.58412	0.3
132.04436	19.3
134.87088	0.4
134.88127	0.3
146.06001	0.4
148.07558	28.2
157.35330	0.3
158.05995	33.4
176.07042	56.8
218.08122	3.0
219.11261	0.5
236.09152	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	236.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27785	0.3
56.67743	0.3
64.33714	0.3
72.82341	0.3
106.06572	0.6
107.70307	0.3
112.30888	0.3
118.28516	0.4
119.07290	0.4
120.08084	12.5
127.15722	0.4
130.06508	100.0
132.04431	28.2
132.05449	0.8
136.34637	0.3
148.07552	25.7
151.29381	0.3
153.21545	0.3
153.60223	0.3
158.05994	43.5
176.07037	49.1
218.08104	10.8
236.09105	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	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98262	0.4
54.53326	0.3
55.01863	0.5
57.03432	16.2
58.06594	30.9
59.07094	0.8
59.07373	15.5
60.08153	8.5
73.02893	2.3
75.04108	0.5
75.04469	7.6
79.66870	0.4
84.08074	0.5
85.02888	2.4
87.04455	9.7
92.98546	0.4
93.05466	0.5
97.89282	0.4
103.03936	0.8
105.05515	0.6
127.40099	0.5
131.06996	2.0
131.25575	0.5
133.79498	0.4
138.05440	0.8
144.10162	0.6
162.11240	0.4
207.53354	0.4
236.14899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1644
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.03935	0.7
55.05505	10.8
56.05007	0.7
57.03175	1.2
57.03429	20.7
65.91202	0.6
67.05473	1.0
67.44699	0.7
75.20475	0.8
79.05464	3.7
80.04983	1.3
82.06578	1.0
91.05460	3.7
93.05759	1.6
93.07013	1.5
94.06550	11.7
96.08106	3.5
101.06017	7.8
104.07070	0.9
105.07037	1.5
106.06528	1.6
107.07325	1.6
107.08589	1.2
108.08103	12.9
110.09663	3.9
112.07599	1.1
119.08527	1.0
120.08096	13.9
122.05994	1.3
122.09618	1.5
124.07549	11.8
125.08375	1.6
126.09148	8.2
131.00159	0.9
131.07251	1.2
132.08072	6.2
133.08870	3.4
134.09630	8.2
135.10406	3.5
136.07550	4.1
136.11206	3.2
137.08328	6.5
138.09122	31.4
138.12737	1.2
145.08887	1.2
146.09593	3.3
147.10442	1.0
148.11208	10.8
150.09123	11.5
152.07109	1.0
152.10684	4.3
160.07663	0.8
160.11119	1.2
162.12750	7.0
164.10693	18.0
165.11469	3.3
166.12247	35.1
176.10616	1.3
178.12276	6.6
179.13060	3.8
180.13805	21.1
182.11717	18.8
189.11432	1.3
194.11746	40.7
208.16901	3.0
209.31308	1.0
218.15366	8.9
219.11180	0.9
236.16414	100.0
253.77975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Apotrisporin
Peak:m/z	Relative Intensity
53.00288	2.5
53.03931	3.2
55.01861	1.7
55.05497	8.9
55.98121	1.2
57.03408	2.4
57.07073	2.2
59.37236	1.3
62.44836	1.3
67.05485	9.5
69.07041	1.7
71.08617	100.0
79.05472	10.9
81.03399	8.2
81.07037	7.6
82.95485	1.3
83.04948	2.2
89.06040	1.4
91.05466	65.1
93.07021	36.8
95.04950	10.5
95.08566	2.0
99.07471	2.5
99.08078	42.7
105.07018	21.8
107.04958	2.7
107.08543	2.6
109.06461	2.3
109.10149	5.7
112.04758	7.1
117.06994	15.8
119.08557	55.6
121.06503	25.5
128.06133	1.7
133.06479	2.3
133.10101	8.8
137.09567	3.5
143.08478	2.8
147.08034	35.3
147.11610	1.5
156.07368	9.1
161.09583	9.0
166.26225	1.4
172.27150	1.4
173.08127	1.8
174.08463	3.6
189.16321	7.0
217.15840	14.6
218.10976	12.9
235.16922	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	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88029	1.4
54.57063	1.7
71.64000	1.7
101.26900	1.5
107.72775	1.6
139.32031	1.8
178.27678	1.7
204.88641	1.7
233.06279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02320	0.7
59.28631	0.8
63.29446	0.7
78.89349	0.9
84.28035	0.8
114.72179	0.9
121.79282	0.9
123.29819	0.8
125.59509	1.0
182.74078	0.8
197.64183	0.9
233.06291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
54.83865	1.0
55.01869	1.9
55.05505	12.7
57.03439	1.3
57.07065	4.7
59.04982	2.7
63.55153	1.1
63.70047	1.1
67.05493	17.8
69.03413	10.1
69.07059	17.1
71.04982	21.3
79.05474	17.1
81.07038	20.7
83.04972	5.0
83.08612	5.9
85.06538	6.8
91.05461	25.8
92.08626	2.8
93.07023	35.1
95.04948	10.6
95.08586	19.7
97.06521	10.4
101.05989	1.6
105.07018	65.0
107.08575	51.8
109.06517	7.5
109.10155	15.3
111.04433	4.6
111.08073	4.3
112.04767	5.3
117.06323	1.5
117.07009	10.3
119.08562	97.3
121.06499	5.7
121.10102	18.7
123.08076	5.0
123.11697	5.2
123.67580	1.2
128.06224	6.6
129.06996	6.1
131.08542	24.2
133.06505	3.0
133.10107	57.9
135.08054	13.5
135.11664	10.7
137.09590	5.6
141.06955	1.8
142.07802	5.4
143.08548	19.5
144.09329	1.9
145.06503	1.3
145.10095	21.0
146.07227	4.6
147.08029	7.6
147.11685	19.2
148.08865	2.4
149.09570	2.5
151.11165	5.2
156.07368	6.5
156.09352	7.1
157.10129	13.2
158.10909	5.9
159.08009	3.0
159.11673	13.6
161.09593	100.0
161.13226	2.0
169.10068	2.0
171.11644	7.1
173.13214	14.1
174.08376	2.5
175.11186	8.1
175.14793	10.1
177.50732	1.2
179.10696	5.6
184.12505	1.6
187.11203	2.1
187.14786	2.3
187.71194	1.3
189.12704	1.5
189.16347	12.9
199.14870	6.1
202.13565	1.6
217.15848	47.2
218.11021	11.2
235.16913	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	231.1743
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
55.05497	5.7
56.44888	2.7
56.52566	2.6
67.05502	33.1
68.61506	3.5
69.07050	23.9
71.04969	5.5
79.05478	20.7
81.07047	33.1
83.04946	4.9
83.97786	3.4
91.05463	17.8
91.43049	3.5
93.07034	47.2
95.04940	5.2
95.08581	100.0
95.09126	5.9
97.06493	8.1
105.07022	69.2
105.51614	3.6
107.08584	35.3
109.06496	26.7
109.10123	33.0
119.08580	57.6
119.80349	3.2
121.06503	3.8
121.10126	88.2
123.08007	4.6
123.11673	15.8
129.07030	3.2
131.08569	6.3
133.10100	29.5
134.76239	3.7
135.11760	5.1
142.07759	16.2
143.08548	8.7
145.10091	15.8
147.11725	11.4
155.08481	3.3
157.10103	48.7
159.11687	6.1
171.11652	8.1
173.13208	4.5
175.11137	4.4
183.11670	5.9
213.16319	6.7
231.17448	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03642	0.8
52.83199	0.8
53.03939	0.7
53.12128	0.8
55.05508	1.6
56.96542	1.9
57.03421	1.4
59.04983	1.9
61.83780	0.8
65.03915	1.1
67.05492	14.0
67.55713	0.8
68.99769	1.3
69.03411	19.2
69.07056	2.1
71.01334	9.6
71.04961	6.5
71.09485	0.8
73.02895	1.8
73.06564	0.8
76.35136	0.9
79.05467	3.9
81.03392	4.9
81.07039	12.6
83.04960	5.5
83.08574	1.9
85.02894	5.8
85.06510	1.5
87.00838	3.3
91.05458	5.5
91.13364	0.9
93.00781	0.9
93.07019	8.8
95.04943	89.5
95.08610	1.5
97.02860	16.4
99.04459	1.5
105.07025	10.2
107.08565	7.2
109.06492	2.3
109.10159	7.7
111.08051	4.8
113.05984	87.2
115.05547	1.1
119.04995	1.0
119.08571	1.4
121.06490	1.0
121.10114	5.3
123.04392	4.9
123.07993	1.1
123.11684	4.3
128.06180	8.2
133.10094	6.1
135.07967	1.6
141.05440	100.0
143.08531	18.1
146.07240	1.7
151.11148	25.6
157.22263	0.9
161.09607	13.1
169.57846	1.0
179.10660	14.7
182.83011	0.9
197.11707	4.5
216.57318	0.9
217.44334	0.9
221.19121	0.9
231.12227	7.0
252.23080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36202	1.4
53.00291	4.0
53.03930	8.0
55.01858	9.6
55.05521	5.7
56.96547	3.4
57.03431	22.1
57.07060	2.8
61.02903	10.8
62.68109	1.7
67.05480	8.7
69.03414	93.3
69.07053	100.0
70.09245	1.5
71.01326	4.1
71.04970	11.0
71.08579	2.1
73.02885	8.0
79.05468	11.7
81.03396	31.0
81.07066	13.8
81.40462	1.7
83.01317	2.4
83.04967	3.6
83.08574	2.5
85.02889	77.4
86.09689	2.2
87.04423	2.5
87.08084	46.9
91.05447	9.5
93.07033	10.8
95.04937	4.1
95.08584	11.7
97.02876	38.0
97.06516	3.1
98.97560	11.3
99.04423	13.0
99.08077	4.2
103.03902	2.7
103.05452	2.2
105.06998	7.7
107.04932	3.3
107.08581	7.4
109.02863	10.4
109.06494	4.1
111.04433	2.6
111.08070	11.6
115.03872	2.6
115.05475	2.2
116.98582	8.7
117.06922	2.9
118.74747	1.6
119.08563	2.4
121.06486	2.2
123.08048	4.4
127.03888	23.3
127.07506	2.1
131.08551	2.7
134.99609	3.3
135.07979	2.7
141.05457	2.1
145.04933	11.7
146.99763	1.8
149.09599	2.2
153.09082	2.5
154.73511	2.2
158.99681	2.1
177.00687	3.6
177.09085	2.6
182.09331	1.8
195.10144	3.6
213.11043	2.3
231.06567	2.2
231.12286	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	230.2476
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
54.82018	0.7
57.07065	28.2
58.06578	4.2
62.06072	12.8
71.08612	12.5
85.10175	3.3
101.81518	0.8
103.64312	0.7
106.63300	0.7
176.53792	0.8
212.23676	8.9
230.24750	100.0
239.88913	0.9
244.44786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0267
Annotation	ribose-5-phosphate
Peak:m/z	Relative Intensity
81.21914	34.3
93.67111	47.6
96.92224	49.0
112.89581	93.6
114.89359	100.0
128.42206	41.5
176.78525	46.8
241.44937	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66103	4.5
63.19748	4.3
64.73207	3.9
67.05802	4.4
69.03416	25.8
70.06583	8.5
81.03408	6.6
85.02930	6.6
103.03915	5.6
103.83973	4.4
108.53068	3.7
138.64432	4.3
162.49466	4.3
199.02150	26.6
213.03673	6.1
230.15636	4.6
231.04732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
69.03419	100.0
70.06589	1.7
71.01336	1.0
71.04964	3.5
81.03393	5.0
84.04507	0.9
85.02914	9.9
92.64126	0.8
98.97568	1.0
99.04436	18.3
103.03922	19.9
107.01819	0.9
109.02883	1.3
125.60733	0.9
127.03896	12.4
129.05458	55.5
213.07597	2.1
230.15877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03431	0.8
57.29905	0.5
58.06591	10.1
58.70926	0.6
59.07371	1.3
59.81516	0.5
60.08152	9.3
61.91589	0.5
68.05007	0.9
68.96692	0.5
69.34722	0.5
70.06580	55.1
73.02905	1.3
74.03236	0.7
81.03413	0.6
85.02879	1.2
88.04798	0.6
96.08114	1.4
97.02841	0.6
98.06013	0.9
107.24569	0.5
112.04786	0.8
112.27948	0.7
114.05497	8.2
114.09138	2.8
116.04254	0.7
116.07034	0.9
116.38305	0.6
118.51070	0.6
124.07599	5.2
126.09142	0.8
134.05292	1.0
140.04225	0.6
142.08623	50.7
148.70290	0.7
165.06564	0.6
170.08064	1.2
183.07784	0.7
229.15442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.89044	0.2
54.81323	0.3
55.01848	0.7
56.96540	0.5
57.03409	0.3
57.07043	0.3
58.06593	8.3
59.07368	2.1
60.08154	9.2
65.24127	0.2
67.05501	0.2
68.04998	1.4
69.03401	1.2
70.06577	51.7
72.08122	0.5
85.06532	3.5
96.08107	1.9
98.06017	1.1
98.97577	1.1
109.98289	0.3
114.05507	7.3
114.09167	3.0
116.07056	1.9
116.98593	0.4
123.15176	0.3
124.07566	5.0
126.09138	0.6
142.08617	53.7
142.23474	0.3
170.08035	1.3
186.96872	0.3
229.15430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
54.51192	0.8
55.01871	2.1
55.05501	16.4
56.96544	0.8
57.03418	1.7
57.07074	7.2
59.47790	0.7
60.55688	0.7
67.05494	27.3
69.03428	1.9
69.06709	1.2
69.07056	20.6
71.04977	8.5
79.05477	17.0
81.03419	1.0
81.07041	64.0
83.04959	7.1
83.08614	11.6
85.06526	28.5
86.35020	0.8
91.05466	13.5
92.08688	1.0
92.77670	0.9
93.07025	60.7
95.04957	2.1
95.08586	61.3
97.06494	4.6
99.08075	24.9
105.06360	1.6
105.07013	32.1
105.07659	1.7
107.08580	97.8
109.06515	5.3
109.10147	32.2
111.08096	7.1
111.08707	0.8
113.09622	1.2
119.08563	47.3
121.10110	33.1
123.08041	3.5
123.11686	23.9
125.02292	1.0
125.09602	8.1
129.89185	0.9
131.08524	1.7
133.10106	45.6
134.17233	0.9
135.11671	59.0
137.05927	1.0
137.09612	5.6
137.93993	0.9
139.11162	3.5
147.11646	7.1
149.13281	6.7
151.11145	4.0
153.12717	1.7
162.76979	0.9
163.14793	100.0
175.14796	37.5
181.15829	11.5
193.15858	17.2
199.17052	1.5
211.16913	34.1
229.17996	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	228.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03354	0.7
55.05509	3.5
56.96563	1.0
57.03432	89.3
57.07069	1.7
64.70742	0.7
67.05496	16.4
69.25134	0.7
70.08752	0.8
71.04979	6.8
79.05478	11.6
80.05003	14.9
81.07036	14.8
83.04983	1.8
83.15807	0.8
85.06532	34.1
91.05456	5.5
93.07041	1.6
95.04955	24.8
95.08583	1.4
98.97619	0.9
99.08075	13.8
100.00526	0.8
103.05444	18.6
105.07048	1.7
107.04948	9.7
107.08538	1.4
108.08823	0.8
109.06470	1.7
109.10172	1.2
113.05994	100.0
116.98608	0.8
119.08553	3.0
121.06470	1.3
122.07320	1.2
123.04428	1.2
123.08171	0.8
123.83740	0.9
131.04886	7.3
139.11186	0.8
167.07248	1.4
167.10713	0.8
173.57758	1.0
175.11145	1.1
182.09676	1.6
193.12238	24.6
200.10619	1.6
228.10191	14.2
228.23222	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	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.5
55.01866	3.0
55.05506	16.2
56.96549	3.5
57.03432	23.7
57.07076	14.3
61.02946	2.4
67.05500	14.7
69.03419	75.4
69.07066	3.0
71.01334	2.9
71.04971	15.9
73.02905	4.1
79.05484	8.4
80.09715	1.6
81.03411	20.8
81.07050	7.4
83.04966	11.1
85.02899	36.8
85.06533	100.0
89.06555	1.7
91.05470	10.9
93.07037	3.6
95.04957	3.9
97.02886	17.1
97.06520	2.9
98.97572	2.6
99.04447	10.0
105.06997	2.8
109.02878	4.2
109.06520	3.6
111.04408	1.8
119.08558	3.2
121.06481	2.8
123.07977	3.1
125.05969	1.9
127.03913	24.9
145.04988	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53289	0.2
55.05493	1.0
56.96553	0.3
57.03414	0.4
67.05496	9.2
67.97258	0.2
68.99776	0.4
69.07054	11.6
71.04987	3.2
75.04452	0.3
76.79629	0.2
79.05474	0.5
81.07034	4.1
83.08596	0.2
85.06510	1.2
88.30176	0.2
90.35550	0.2
91.05466	1.3
93.07024	2.5
95.04949	7.3
95.08581	5.3
105.07011	2.3
107.08599	1.0
109.10143	100.0
114.37533	0.2
115.37617	0.2
119.08556	3.3
121.06500	2.0
123.11679	6.2
127.11173	20.2
128.06186	0.4
131.08553	0.4
133.10114	6.5
137.09605	6.9
143.08539	1.5
151.11174	1.3
155.10677	1.6
161.09587	5.1
161.30118	0.2
173.11714	5.3
179.10641	6.6
183.13890	0.4
197.11696	6.8
211.13266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97802	2.8
55.01870	28.2
55.05501	5.6
56.96558	36.0
57.03431	35.6
59.04992	27.9
61.02905	18.0
67.05477	3.3
68.29182	3.1
69.03415	49.7
69.04536	3.9
70.06579	47.9
71.01342	31.1
71.04978	36.5
73.01778	4.8
73.02898	93.4
75.04450	23.2
75.86395	2.8
81.03390	20.0
83.01311	6.8
83.04958	7.1
84.08128	99.9
85.02888	58.0
85.08455	33.0
87.04452	47.0
89.05997	21.1
97.02864	51.7
98.03513	23.2
98.97585	4.5
99.04398	5.2
101.02406	28.7
101.06017	5.7
103.03900	13.6
106.98051	4.6
111.04430	67.6
112.05050	14.4
112.45303	3.7
114.06629	18.1
115.03922	95.6
122.06021	6.0
124.99110	33.7
125.02353	12.8
127.03897	6.6
129.05444	17.1
131.03406	16.0
131.32851	3.1
133.04938	99.8
134.05927	3.4
136.07553	38.1
138.10216	4.7
139.03865	48.1
143.00143	30.0
143.03328	4.1
145.04916	5.7
146.06049	3.8
147.06537	16.6
150.05507	52.4
152.07039	4.2
153.61508	3.4
158.05568	18.6
160.06110	3.5
161.01199	23.4
161.03244	4.0
161.04460	26.7
164.07047	61.6
166.08598	20.7
166.09784	13.5
168.06435	5.5
168.07649	15.4
175.05983	27.5
175.80740	3.3
179.05518	36.5
180.06612	3.9
182.08069	18.9
184.02922	3.9
192.06532	100.0
193.07051	14.8
195.44572	3.3
205.00166	22.1
206.72235	3.7
210.07524	50.5
211.08163	5.9
227.13959	5.8
228.08600	32.6
228.09888	20.3
228.14310	13.6
228.23174	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	228.1018
Annotation	Clausine-V
Peak:m/z	Relative Intensity
53.03930	1.1
55.05510	0.9
57.68273	0.6
59.11172	0.6
60.61522	0.6
69.07053	0.9
79.05475	36.9
80.05000	74.3
91.05463	8.3
92.09405	0.9
93.05763	1.6
93.07007	3.1
95.04952	1.0
95.08597	1.5
102.09187	0.7
103.05450	100.0
104.32915	0.7
105.07007	5.2
107.04943	48.0
108.04464	3.3
109.05273	2.6
121.06455	1.0
131.04906	31.5
137.04669	1.3
140.07022	1.0
149.05963	2.8
155.08504	1.0
156.79721	0.6
165.07011	3.4
165.33246	0.7
167.07281	7.2
168.98901	0.7
172.11374	0.8
180.08073	7.5
180.73007	0.7
182.09610	17.0
184.50444	0.8
190.66115	0.7
200.10632	7.6
228.10159	72.7
228.23143	6.7
229.10655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97802	2.8
55.01870	28.2
55.05501	5.6
56.96558	36.0
57.03431	35.6
59.04992	27.9
61.02905	18.0
67.05477	3.3
68.29182	3.1
69.03415	49.7
69.04536	3.9
70.06579	47.9
71.01342	31.1
71.04978	36.5
73.01778	4.8
73.02898	93.4
75.04450	23.2
75.86395	2.8
81.03390	20.0
83.01311	6.8
83.04958	7.1
84.08128	99.9
85.02888	58.0
85.08455	33.0
87.04452	47.0
89.05997	21.1
97.02864	51.7
98.03513	23.2
98.97585	4.5
99.04398	5.2
101.02406	28.7
101.06017	5.7
103.03900	13.6
106.98051	4.6
111.04430	67.6
112.05050	14.4
112.45303	3.7
114.06629	18.1
115.03922	95.6
122.06021	6.0
124.99110	33.7
125.02353	12.8
127.03897	6.6
129.05444	17.1
131.03406	16.0
131.32851	3.1
133.04938	99.8
134.05927	3.4
136.07553	38.1
138.10216	4.7
139.03865	48.1
143.00143	30.0
143.03328	4.1
145.04916	5.7
146.06049	3.8
147.06537	16.6
150.05507	52.4
152.07039	4.2
153.61508	3.4
158.05568	18.6
160.06110	3.5
161.01199	23.4
161.03244	4.0
161.04460	26.7
164.07047	61.6
166.08598	20.7
166.09784	13.5
168.06435	5.5
168.07649	15.4
175.05983	27.5
175.80740	3.3
179.05518	36.5
180.06612	3.9
182.08069	18.9
184.02922	3.9
192.06532	100.0
193.07051	14.8
195.44572	3.3
205.00166	22.1
206.72235	3.7
210.07524	50.5
211.08163	5.9
227.13959	5.8
228.08600	32.6
228.09888	20.3
228.14310	13.6
228.23174	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	1.2
55.05505	13.7
56.96547	1.8
57.03424	5.4
57.07060	2.0
59.05002	1.0
64.62479	1.1
65.03925	1.0
67.05488	10.5
69.03419	3.8
69.07057	9.8
69.87601	0.8
71.04990	7.3
74.79145	0.9
75.04464	5.2
79.05477	10.0
81.03390	2.2
81.07053	12.1
83.04979	6.3
83.08615	4.3
85.02883	1.8
85.06514	1.4
91.05468	9.1
91.75989	1.0
92.00010	1.0
93.07025	13.6
93.59657	1.0
95.04949	100.0
95.08592	8.6
97.02818	2.9
97.06499	20.2
98.97570	8.1
99.04429	8.8
99.08083	7.7
100.11239	4.6
104.04986	1.2
105.07016	12.0
107.08594	20.6
109.06502	17.3
109.10126	9.9
111.04419	5.8
111.08086	5.7
116.98599	5.1
117.06962	1.0
119.08562	10.1
121.10119	13.5
123.08061	5.3
123.11693	4.9
125.09615	4.5
131.08575	5.7
133.10126	17.1
134.99712	1.9
135.08037	5.4
135.11678	4.9
145.10129	5.8
147.11673	5.7
149.09636	1.9
149.13254	4.2
151.11162	3.7
153.09073	19.1
158.10861	1.3
163.01791	2.1
163.11252	1.8
163.14824	1.8
168.75365	1.0
171.10146	1.4
173.13257	5.7
176.47688	1.0
177.00681	1.7
178.04988	1.5
181.02821	1.6
191.14268	6.1
209.11754	9.1
209.15352	14.5
227.10677	1.5
227.12794	1.5
227.16403	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74298	1.5
55.05497	11.2
56.96544	9.3
57.07066	1.7
64.32897	1.7
65.74613	1.6
67.05486	20.1
69.07038	7.0
69.38931	1.9
71.04979	100.0
72.93770	3.8
74.10793	1.7
75.83179	1.8
79.05470	9.1
81.07037	33.9
83.57291	1.7
90.31845	2.4
90.48515	1.7
91.05453	7.3
93.07026	12.0
95.08599	18.1
97.06483	2.3
97.65829	2.0
100.11231	4.7
101.98738	1.8
105.06978	3.5
107.08559	4.2
113.96431	1.9
117.06925	2.5
121.01624	4.2
122.91512	1.8
131.08595	1.9
133.10097	3.5
135.11630	8.1
139.02670	2.9
149.13161	2.3
159.11684	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.32652	2.1
55.01856	4.2
55.05502	42.1
57.03432	5.8
57.07063	16.3
57.98781	2.5
67.05492	35.4
69.03412	15.4
69.07062	41.0
70.92183	2.5
71.04977	20.0
79.05477	20.6
81.07043	55.1
82.81309	2.6
83.04951	12.1
83.08591	13.4
85.06537	5.5
91.05452	25.6
91.34419	2.7
92.08621	5.8
93.07029	70.5
95.04953	11.7
95.08595	63.3
97.06523	11.5
97.10146	4.3
98.97576	4.2
99.08076	5.5
100.11234	14.4
105.07011	43.9
107.08588	100.0
109.06489	27.5
109.10124	43.8
111.08052	11.1
111.11708	3.2
114.37653	2.5
119.08584	33.2
121.06518	4.6
121.10130	91.7
123.08042	27.5
123.11679	18.3
125.09586	11.8
127.11184	20.1
129.06981	3.2
131.08568	22.1
133.10107	47.5
135.08014	31.8
135.11676	18.9
137.09598	22.4
137.13226	20.9
139.11131	5.2
143.08559	5.1
144.09325	3.1
145.10107	13.3
147.11684	12.8
149.09602	91.1
149.13226	43.1
151.11227	28.5
153.09117	4.9
158.10863	6.9
163.14775	24.6
165.12752	19.7
167.10626	7.1
173.13217	41.8
191.14297	49.9
209.15332	24.6
227.16455	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	1.6
54.81745	1.6
55.05503	19.1
57.03429	7.8
57.07062	8.5
57.39439	1.5
59.04991	6.6
63.89664	1.4
65.85255	1.8
67.05493	11.7
68.14534	1.5
69.03422	8.1
69.07059	18.1
71.04975	18.3
79.05473	16.6
81.07040	36.2
83.04958	9.8
83.08621	9.5
85.06528	7.4
91.05470	22.3
93.07027	34.8
94.43792	1.9
95.04947	100.0
95.08575	22.2
97.06509	38.4
97.10132	1.8
99.04444	8.8
99.08076	27.6
100.11192	1.9
105.07011	43.4
107.08575	36.4
109.06506	65.8
109.10147	16.3
111.08077	11.7
113.05971	1.7
113.09671	2.1
115.07551	10.1
116.12868	1.6
117.06975	2.8
119.01890	2.2
119.08569	29.4
121.10130	39.3
123.08057	8.5
123.11683	8.4
125.09605	11.0
127.07541	9.4
131.08546	18.6
133.10112	56.5
135.08009	13.8
135.11702	7.6
137.09630	7.3
139.11179	6.9
142.32666	1.7
143.08534	3.2
145.10117	9.8
147.11652	36.6
149.09601	10.5
149.13235	11.3
151.11214	4.3
153.09129	21.7
158.10916	3.8
161.02921	3.3
163.14729	5.8
171.10112	3.8
173.13255	24.3
191.14301	17.7
200.99611	1.5
209.15305	22.2
227.16379	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05499	10.5
57.03432	5.1
57.07061	16.8
64.92029	3.5
67.05495	23.4
69.03408	5.7
69.07057	35.4
71.04960	8.4
75.03916	3.8
78.02378	3.8
79.05471	17.3
81.07048	31.5
91.05484	19.8
92.08616	5.2
93.07008	37.8
95.08583	53.4
97.06498	7.6
99.08054	4.4
104.76711	4.3
105.07006	33.8
107.08577	68.0
109.06506	17.9
109.10115	31.1
119.08572	9.2
121.10117	79.8
123.08038	15.7
123.11677	9.1
127.11187	8.8
131.08537	17.4
133.10069	44.9
135.08032	10.5
135.11658	8.5
137.09624	22.6
137.13225	26.1
145.10162	7.4
147.11731	4.6
149.09601	100.0
149.13216	30.8
151.11156	10.3
154.91286	4.0
161.13222	7.6
163.14777	21.9
165.12764	8.9
173.13231	28.6
191.14235	40.5
209.15359	24.5
219.58406	4.9
227.16393	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	226.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17278	0.2
57.07060	0.6
61.24608	0.2
62.02999	0.2
83.99918	0.3
93.26183	0.2
101.00861	9.4
102.00924	12.7
119.01903	67.4
120.01987	100.0
121.01626	3.6
121.02359	0.5
122.02401	0.3
125.02574	1.2
128.61270	0.3
137.02937	28.9
138.03035	45.9
139.02702	1.6
142.03479	15.2
143.03600	37.1
144.03223	1.3
160.04527	6.5
161.02965	5.4
161.04671	17.8
162.03055	12.9
166.05290	1.2
170.24576	0.3
178.01071	1.1
179.03983	11.3
180.04121	29.6
181.03754	0.4
184.04533	0.6
185.03064	0.3
185.04594	1.9
202.05597	1.4
203.04024	0.7
203.05774	2.7
220.02115	1.1
221.01605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05659	1.0
56.96576	1.7
57.07071	2.4
59.04985	12.2
61.02919	12.7
69.03410	2.0
70.06574	5.8
71.01341	100.0
71.08608	2.4
72.08141	2.7
72.93776	1.2
73.02901	5.4
75.04493	2.0
85.02882	9.8
87.00857	1.2
87.04456	8.5
89.06007	2.8
96.08135	2.4
97.02909	1.5
99.00806	8.9
99.22557	1.3
101.02377	13.7
110.06042	1.4
113.02336	10.9
114.09157	6.3
115.03907	1.8
119.03423	7.9
121.22489	1.3
127.03857	1.5
131.03384	19.4
133.04951	10.9
136.07620	1.6
141.01793	12.9
143.23628	1.5
145.04948	49.2
149.04384	1.9
156.86459	1.4
159.02875	33.8
163.05981	7.9
166.04941	7.5
177.03920	13.6
180.06543	2.0
183.14951	2.1
191.05522	6.1
191.93135	1.2
208.06020	2.1
226.07147	2.3
226.19156	1.5
226.23419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03930	5.8
54.57486	1.4
55.01871	12.4
55.05276	1.5
55.05510	32.7
56.96539	3.0
57.03429	2.8
57.07047	1.8
63.53258	1.5
64.33607	1.9
66.78692	1.4
67.05489	39.6
69.07053	22.9
71.04971	5.8
73.02883	2.2
79.05469	62.9
81.03394	9.5
81.06599	2.7
81.07037	48.1
83.04961	9.3
83.08605	18.9
85.06511	1.5
91.05463	15.4
92.09361	2.8
93.07024	89.6
95.04954	14.5
95.08584	90.9
97.02860	7.1
97.06508	9.0
97.10113	1.9
98.57246	1.4
99.04421	9.9
103.05380	2.0
105.07023	16.0
107.04942	20.7
107.07859	2.4
107.08569	51.8
109.06507	3.6
109.10101	3.2
111.04429	1.7
117.06989	23.1
119.08556	16.0
121.06468	14.6
121.10105	21.3
123.08080	2.0
125.05933	3.4
130.07764	3.1
133.10133	8.2
135.08012	3.3
135.11665	80.7
139.07513	2.6
145.10110	44.9
163.11145	90.2
180.00165	1.6
181.12210	15.0
194.95253	1.5
196.05203	1.8
202.96342	1.7
209.11655	1.7
227.12738	100.0
244.20877	1.6
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	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03941	7.4
55.01873	4.5
55.05509	32.6
56.96558	7.0
57.07066	100.0
64.02164	2.8
67.05490	58.8
69.07034	8.0
71.04932	3.0
71.08603	37.9
76.57829	3.3
79.05476	74.9
81.03398	7.7
81.07030	53.4
83.04972	37.5
85.10159	19.4
91.05453	65.7
93.07015	71.9
95.04945	35.5
95.08566	24.4
97.06502	4.5
97.54847	3.3
101.00861	5.1
101.95011	43.0
102.96801	5.1
105.07014	48.2
107.04922	4.6
107.08553	13.0
109.06499	16.7
109.10106	3.6
117.07009	6.8
117.96567	3.7
119.01903	74.4
119.08575	31.3
119.96094	26.9
120.02013	4.9
120.97932	6.0
121.10120	3.8
123.08031	7.5
129.06963	8.6
137.02937	33.1
137.97108	18.7
142.03494	25.9
143.08528	7.2
145.10155	4.3
147.11652	34.1
155.98148	4.8
159.10204	4.7
160.04507	6.7
160.98610	5.4
161.02846	5.6
161.13258	5.8
171.11642	15.5
173.12161	4.2
178.99706	5.6
179.03981	12.7
189.12767	6.5
207.13832	6.6
210.12460	4.8
225.14801	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.99939	0.6
52.34195	0.7
53.76091	0.6
55.05510	10.1
57.07072	9.9
67.05493	11.6
69.07061	1.0
71.04961	0.8
71.08611	3.6
79.05481	2.9
81.03391	0.7
81.07039	24.4
81.47627	0.8
83.04958	1.3
85.02891	100.0
85.06543	2.7
85.10176	1.0
86.74517	0.6
91.05470	3.6
92.08679	1.3
93.07005	5.9
95.04987	1.1
95.08589	22.0
105.06986	6.1
107.08585	8.5
109.06522	1.3
109.10137	10.0
119.01916	3.4
119.08575	10.3
121.10130	11.7
122.07235	2.7
123.08028	5.3
123.11686	59.7
125.05992	5.8
125.09598	0.7
129.07074	0.9
131.08534	1.2
133.10150	1.7
135.08041	3.1
135.11652	1.1
137.09601	13.3
145.10066	1.3
147.08009	2.8
147.11685	4.8
149.09615	13.1
151.07472	6.2
153.09071	5.0
161.02980	1.3
161.13266	4.5
165.09082	57.6
165.12686	0.9
171.11638	1.3
174.10292	0.8
189.12738	4.8
207.13786	15.8
225.07317	1.0
225.14784	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.53169	0.5
53.03910	0.6
54.81620	0.5
55.01872	0.7
55.05499	3.3
57.03438	0.6
57.07070	16.7
67.05491	7.0
69.03428	4.6
69.07053	3.2
71.01323	2.5
71.04956	1.2
71.08611	7.3
75.27394	0.6
76.56189	0.5
79.05482	5.7
81.03381	0.6
81.07042	30.9
83.04996	1.9
84.62988	0.5
85.02893	100.0
85.06512	0.8
85.10167	2.9
86.76569	0.7
91.05451	4.5
92.09274	1.2
93.07013	9.9
95.04941	4.2
95.08580	12.9
97.06518	1.2
97.70641	0.6
99.04433	1.1
105.07010	9.6
107.08581	13.2
109.06506	2.9
109.10159	12.0
111.04425	1.3
119.01916	4.0
119.08568	11.4
121.06490	1.1
121.10121	13.8
123.04385	0.6
123.08036	5.1
123.11687	58.2
125.05963	5.9
125.09620	1.2
131.08553	3.5
133.10120	2.9
135.07994	1.1
135.11700	2.5
137.02977	1.1
137.05902	0.6
137.09610	3.4
137.13248	1.2
139.07492	1.1
139.11169	0.6
141.05420	0.9
142.98874	0.7
143.08568	0.9
145.10121	3.1
147.08026	3.2
147.11658	7.4
149.09607	23.9
151.07500	3.1
153.12738	0.8
159.07991	0.8
161.09596	1.1
161.13240	3.1
163.11177	1.3
165.12746	1.2
167.10707	0.6
169.08569	0.8
171.11804	0.8
174.10391	0.8
179.14108	0.7
179.79417	0.6
189.12737	5.2
207.13759	15.6
225.14902	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	225.1484
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
50.90922	1.4
51.37715	1.3
53.00304	3.1
53.03929	2.9
55.01858	2.4
55.05507	100.0
57.03428	3.4
57.07068	53.2
62.28702	1.5
63.74329	1.8
66.10890	1.7
67.05497	19.6
69.03413	10.7
69.06712	3.3
69.07057	57.2
69.07407	3.6
71.04965	8.3
71.08614	29.7
73.09385	1.8
79.05479	14.0
81.03416	2.0
81.07034	41.2
83.04969	77.6
83.08608	3.4
85.02898	3.1
85.10167	12.8
88.69768	1.6
91.05460	8.7
93.07025	23.2
95.04951	22.5
95.08585	37.9
95.09145	3.3
97.02868	2.0
97.06509	10.6
97.21568	2.0
98.09677	3.3
99.04430	23.1
99.08100	4.2
101.00880	2.2
105.07018	18.3
107.08614	16.9
109.06509	12.2
109.10153	19.6
111.08084	12.3
111.60777	1.7
119.01908	16.3
119.08559	21.0
121.06538	2.3
121.10120	22.7
123.08043	17.3
123.11671	6.7
131.08597	7.8
133.10074	4.5
135.08017	3.5
135.11716	2.8
137.02945	4.4
137.09601	46.5
137.10577	3.1
142.03481	8.2
143.07356	1.8
145.10188	2.5
147.08008	2.9
147.11678	9.0
149.09613	18.1
153.12720	52.9
159.11685	4.0
160.04570	3.3
161.13300	2.7
165.12755	3.6
167.10558	2.1
167.14265	2.3
171.11679	2.2
179.03873	2.4
189.12648	2.4
195.13742	32.0
207.13779	8.5
225.14839	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	225.1485
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03940	1.9
55.05505	100.0
55.45844	1.4
56.96545	3.1
57.03419	2.7
57.06806	2.6
57.07067	37.9
62.50340	1.1
65.03947	1.6
67.05492	18.3
69.03408	10.7
69.07056	54.0
71.04992	5.5
71.08619	14.3
79.05471	7.9
81.03403	2.2
81.07036	23.1
83.04457	2.1
83.04961	59.9
83.08649	2.0
85.02907	1.5
85.06532	1.8
85.10174	5.2
91.05460	22.3
93.07032	22.7
95.04947	25.2
95.08581	30.4
97.02859	2.5
97.06520	12.1
98.97560	11.0
99.04424	7.1
105.07020	13.2
107.08575	16.7
109.06504	8.4
109.10134	12.5
111.08063	8.1
116.98587	3.4
119.01910	7.0
119.04909	12.7
119.08550	9.8
121.06477	7.5
121.10112	9.3
123.08051	10.4
125.09631	2.4
131.08545	6.4
133.10127	2.4
135.08067	2.7
135.11670	2.3
137.02936	3.1
137.09589	44.6
142.03490	2.9
143.00148	2.0
147.04367	16.5
147.08057	2.4
147.11691	3.2
148.04747	4.8
149.09599	20.2
151.07494	2.2
153.12730	49.2
158.99619	1.4
159.11815	2.2
160.04579	1.4
161.13240	2.7
163.11263	2.2
164.04628	1.4
164.07060	3.3
165.12755	2.3
167.10672	2.8
168.51860	1.4
175.03847	11.7
177.12804	1.8
179.79373	1.4
189.12622	1.5
192.04195	2.6
195.13777	31.8
203.99298	1.5
207.06413	13.3
207.13861	6.0
208.06096	2.3
219.01759	1.6
225.14847	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	225.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	8.8
55.05514	1.4
56.96545	1.6
57.03435	6.6
57.06815	1.5
57.07072	32.5
61.02906	4.0
65.03931	3.7
67.05489	7.7
69.03418	6.7
71.01341	3.7
71.04976	1.0
71.08617	18.6
73.02902	4.4
79.05484	20.4
81.03412	9.7
81.07037	7.0
83.04971	6.1
85.02896	6.9
85.10162	7.0
91.05467	19.0
93.03391	2.2
93.07021	5.8
95.04951	100.0
97.02870	2.1
97.06522	2.0
101.00862	1.1
101.02347	1.8
103.03910	4.2
103.05459	3.7
105.04516	1.4
105.07021	20.4
107.04949	26.0
107.08584	1.3
109.02861	12.5
109.06498	11.5
109.10133	1.1
111.04440	3.6
113.02351	1.5
115.05457	7.2
119.01907	14.6
119.04929	10.4
121.02842	14.9
121.06499	4.1
123.04401	7.1
126.01035	11.8
131.04900	1.5
133.06458	7.3
135.00687	0.9
135.04376	14.6
137.03004	6.4
137.05940	1.7
140.05498	1.0
142.03493	4.8
147.04366	3.6
149.06044	1.4
160.04570	1.8
161.02930	1.1
161.05934	9.0
163.02684	1.1
163.03880	3.9
165.05531	1.9
177.05463	1.8
179.03969	4.8
179.06969	2.0
189.05618	1.1
207.06567	1.5
225.05402	5.3
225.07571	4.2
240.99730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	3-Benzylmalic acid
Peak:m/z	Relative Intensity
50.01614	0.7
51.47286	0.7
53.03931	1.9
55.01872	6.0
55.05500	1.4
56.96546	1.4
57.03421	5.4
57.07069	17.3
58.74813	0.8
60.06691	0.8
61.02906	3.5
61.65599	0.7
65.03923	5.0
65.04240	0.8
65.81447	0.8
67.05491	8.6
69.03391	3.0
69.34954	0.8
71.01334	4.0
71.08611	11.4
73.02901	3.4
75.41585	0.8
75.58031	0.7
79.05467	20.8
81.03401	8.6
81.07047	6.4
83.04954	4.5
85.02884	4.6
85.10159	3.9
91.05456	21.3
93.03412	1.3
93.06984	1.3
93.51400	0.7
93.84281	0.8
95.04946	100.0
95.08578	1.3
97.02852	1.6
98.97583	0.9
101.02370	4.0
101.28349	0.7
103.03943	1.4
103.05450	4.7
105.04503	0.9
105.07017	18.0
107.04944	27.1
107.08561	1.1
108.90587	0.7
109.02865	9.7
109.06509	10.8
111.04450	1.5
115.05434	5.5
119.01910	10.0
119.04912	13.2
119.08526	0.9
121.02842	9.6
121.06496	1.6
123.04414	4.1
123.08044	0.9
126.01046	4.8
131.04915	4.0
133.06482	8.6
135.04407	13.0
137.02969	2.0
137.05940	4.1
139.03889	0.9
142.03459	4.3
147.04375	1.6
161.05962	8.1
163.03879	1.4
165.05453	1.1
177.05489	1.1
177.79660	0.8
179.03999	1.9
179.06964	0.9
189.05431	0.9
207.06499	3.7
210.75516	0.9
225.05450	0.9
225.07576	3.3
240.70403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.03940	1.5
54.58150	1.2
55.01859	6.5
55.05502	4.9
56.96571	1.5
57.03422	2.0
57.06818	1.6
57.07069	35.5
65.03927	1.6
66.39951	1.1
67.05490	18.9
68.89961	1.3
69.03378	1.3
71.04994	13.4
71.08624	15.1
79.05481	23.4
81.07047	2.1
83.04955	3.0
85.10165	7.3
90.57092	1.3
91.05473	36.8
93.07029	1.8
95.04955	12.7
101.95017	3.0
102.00353	1.2
103.75457	1.4
105.03384	23.4
105.07022	28.5
107.04948	100.0
107.08569	1.6
115.05453	2.8
117.06985	20.0
119.01901	15.9
119.04934	5.1
119.08562	19.8
121.02820	2.2
121.10126	1.6
123.04346	1.6
128.06215	13.8
131.08499	1.9
133.06461	7.2
133.10101	16.3
137.02931	8.5
137.97092	1.9
142.03502	5.0
143.08572	10.5
143.83661	1.4
145.06500	11.7
147.04431	1.6
147.07973	8.9
155.05998	1.7
160.04550	1.3
160.76337	1.5
161.09579	26.1
171.08049	11.0
177.03862	1.3
179.03995	3.1
189.09132	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03934	2.9
53.13178	1.9
54.17004	1.9
54.81977	2.3
55.01861	2.7
55.05503	16.1
57.03411	3.0
57.06814	3.4
57.07067	60.6
59.04987	5.3
63.93394	1.8
67.05487	9.6
69.03404	2.6
69.07060	18.3
71.01340	2.8
71.04977	57.3
71.08611	21.4
74.53323	2.1
79.05492	24.5
81.07040	37.4
83.04998	3.2
83.08608	14.5
85.02903	4.0
85.10165	5.6
91.05467	18.3
93.07018	21.9
95.04932	9.6
95.08591	24.2
97.06513	83.3
99.04435	100.0
101.06001	4.7
105.07007	36.1
107.04995	2.7
107.08580	59.6
109.06501	38.2
109.10172	2.7
111.11694	2.9
113.09637	5.4
119.01887	3.3
119.08593	16.8
121.06493	5.1
121.10117	28.5
123.08054	37.0
123.11678	34.2
125.05923	2.1
125.09628	10.1
131.08582	8.5
133.10106	16.2
137.05898	2.2
137.13252	8.8
139.11133	5.1
147.11685	5.1
149.09602	23.6
151.07552	4.7
161.09612	10.1
161.13237	4.9
165.12695	29.7
167.10606	16.9
179.14264	4.0
183.13779	47.6
189.12697	9.7
207.13766	13.6
225.14861	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	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00220	0.5
55.01861	0.7
55.05508	6.2
56.96556	2.2
57.03418	0.5
62.95243	0.5
65.03917	0.7
67.05495	5.5
69.07055	6.0
71.04971	2.0
79.05473	5.6
81.03406	4.7
81.07038	8.8
83.04978	0.7
83.08607	3.7
84.83620	0.4
85.02905	1.1
91.05463	4.4
93.07047	4.4
95.04949	100.0
95.08569	3.5
97.06517	0.5
98.97569	14.2
99.97887	3.6
105.06999	1.9
107.04943	0.8
107.08575	2.0
109.06501	1.1
116.98611	9.6
117.06983	2.5
117.98956	3.0
119.08536	3.8
121.06496	2.0
121.10104	1.1
123.08016	1.2
126.03922	0.5
131.08549	2.1
134.99651	7.7
135.07970	0.5
135.11719	0.7
135.99983	2.1
141.06975	0.5
141.76767	0.5
145.10110	5.4
147.08044	2.1
149.02345	1.2
153.00677	1.1
153.44455	0.6
158.01199	2.1
159.01617	0.7
159.11685	2.0
163.11153	9.7
187.11169	1.2
205.12202	1.2
223.13286	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20817	0.2
57.07058	0.3
72.79694	0.3
82.99825	0.5
101.00856	17.9
101.76340	0.3
119.01898	100.0
120.01997	0.5
124.02406	2.7
137.02934	35.4
142.03481	34.3
142.50015	0.4
144.75829	0.3
153.54005	0.4
160.04527	12.5
161.02933	10.3
165.04973	0.4
177.00949	1.6
179.03981	23.5
184.04607	1.3
199.50066	1.3
200.00159	0.5
202.05582	2.2
206.14069	0.3
238.95499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14730	0.4
56.96555	0.6
57.66969	0.4
68.55541	0.4
76.17516	0.4
85.35352	0.5
98.97551	5.6
103.05435	0.7
116.98624	3.8
118.74198	0.5
120.08087	13.1
130.06509	100.0
132.04440	18.3
132.05159	0.5
134.19794	0.5
134.99631	2.4
142.68335	0.5
148.07555	25.8
158.04688	1.1
158.06000	30.9
176.07042	47.8
222.07610	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	222.0759
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
51.16544	0.3
64.64557	0.3
69.97848	0.3
76.56755	0.3
95.08577	0.3
98.97560	4.6
100.18786	0.3
103.05425	0.5
104.04959	0.4
106.06502	0.3
116.98594	2.9
118.06510	0.5
120.07287	0.6
120.08085	12.2
130.06502	100.0
132.04425	18.7
134.99638	0.6
146.06052	0.4
148.07545	25.9
151.34793	0.3
158.01299	0.4
158.05984	29.2
164.50539	0.3
171.85205	0.3
176.07027	45.4
177.09064	3.1
178.09363	3.0
181.50078	0.3
204.06564	0.8
215.43515	0.3
222.07588	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	223.0743
Annotation	Acetamiprid
Peak:m/z	Relative Intensity
56.05029	27.9
74.81041	0.2
81.03395	0.9
90.03421	6.3
91.04201	0.3
98.97554	1.1
98.99989	3.2
108.04482	0.3
116.98616	0.6
126.01047	100.0
144.02151	2.1
149.02341	0.4
157.61436	0.3
172.54404	0.3
181.05228	0.5
187.09778	1.3
200.43779	0.2
223.07413	21.1
234.26981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0962
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.70695	0.1
53.21010	0.1
55.05499	0.1
56.96551	0.1
57.07067	7.8
58.11502	0.1
65.03923	2.1
69.07050	0.1
77.99522	0.1
79.05504	0.1
82.60545	0.1
85.02884	0.1
93.03388	1.3
93.07027	0.1
98.03634	0.1
98.68508	0.1
98.97549	0.7
99.97920	0.2
107.08582	0.1
111.04410	0.7
116.98572	0.7
117.98927	0.1
119.08559	0.1
121.02844	9.9
121.03918	1.1
121.10046	0.1
134.99641	0.6
135.08008	0.1
135.99899	0.1
137.09607	0.4
149.02322	100.0
150.02687	0.3
153.00630	0.1
158.01193	0.2
167.03362	2.2
177.12750	1.1
178.13089	0.5
201.11948	0.1
223.13370	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	223.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98322	0.1
51.18671	0.1
57.07070	6.7
59.43404	0.1
65.03924	1.6
70.92113	0.1
85.12516	0.2
86.62594	0.2
93.03380	1.1
98.97549	0.3
111.04419	0.6
116.98607	0.3
118.92284	0.2
121.02843	9.5
121.03916	0.8
149.02327	100.0
167.03410	1.8
169.85501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03946	4.2
55.01870	4.7
55.05506	13.8
56.96550	5.1
57.03424	4.4
57.32707	3.0
59.04996	3.8
63.80997	2.9
64.49006	3.1
67.05495	21.1
69.03413	26.3
69.07047	13.8
70.33026	2.9
71.04993	14.4
74.01541	3.3
75.42115	3.4
79.05478	17.1
81.07059	16.4
83.01333	7.3
83.04958	8.3
85.02917	20.8
91.05470	32.6
93.07036	36.8
95.04958	15.3
95.08598	16.2
98.97574	23.5
105.07020	47.4
107.04986	8.1
107.08572	48.5
109.06516	14.7
109.10169	15.8
116.98611	23.0
117.07017	20.1
119.08559	54.9
121.06496	24.9
121.10114	43.1
122.07293	34.5
123.08047	14.3
123.11754	4.8
125.06028	6.2
129.06998	23.4
130.06490	4.9
130.07770	7.0
131.08539	25.7
131.96155	4.5
133.10092	18.8
134.99681	14.9
135.08029	63.0
135.11668	36.4
136.08801	27.2
137.05994	4.3
137.09573	29.4
141.15872	3.6
144.09369	22.2
145.10110	16.8
147.08038	7.2
149.02362	8.3
149.05936	4.4
149.09621	100.0
150.06775	32.7
151.07562	6.7
151.11177	4.2
153.09082	7.1
159.11696	45.9
161.06091	4.4
163.11151	66.4
165.09081	27.7
172.08871	6.9
175.07521	47.7
177.12717	65.4
179.10690	6.4
185.38113	3.4
187.11217	18.0
190.09891	29.0
203.10738	18.5
205.12212	78.5
223.13266	69.7
223.16707	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00291	2.7
53.03917	1.9
55.05503	18.3
56.96545	2.9
57.07064	3.4
64.81019	1.2
67.05486	10.2
69.07056	13.0
71.04988	16.4
79.05479	20.5
81.07044	100.0
83.08620	1.7
91.05458	12.1
92.08665	2.8
93.07027	56.3
95.08588	27.3
98.97571	50.1
99.08108	1.9
105.07023	34.9
107.08584	73.4
109.06463	2.6
109.10152	22.9
116.97822	2.8
116.98601	48.7
117.07014	2.7
119.08566	46.5
121.02881	2.3
121.03806	1.4
121.10146	15.7
123.11693	10.7
127.11157	6.2
131.08577	1.7
133.10121	18.9
134.99648	38.2
135.11682	81.3
145.10133	2.6
147.11656	21.2
149.02327	14.5
149.13225	7.0
153.00676	8.4
158.01253	16.6
161.13251	6.6
163.14789	2.3
176.02310	2.4
177.54268	1.9
183.26888	1.4
203.17923	26.0
204.34564	1.7
221.18924	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83652	0.4
58.66718	0.4
75.40253	0.5
86.09707	1.0
112.76945	0.5
119.01906	3.2
138.96376	3.8
156.97456	84.0
157.27754	0.6
162.95520	0.7
168.93102	0.5
174.98500	100.0
179.99049	2.8
198.00072	1.2
198.98535	13.0
199.00262	1.1
216.99562	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	222.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52818	7.3
55.01853	9.1
56.05030	8.1
58.06582	40.7
59.77074	7.4
60.04509	40.2
66.41395	7.6
67.05501	9.2
69.03407	54.2
74.06051	55.0
81.03390	11.9
83.04998	11.9
84.04484	34.7
84.08130	56.4
85.02888	53.2
86.61343	8.5
90.36874	8.7
92.07082	14.0
95.01308	37.5
96.04465	19.8
97.02879	79.6
98.06017	9.6
102.05529	57.6
113.02358	48.5
121.10093	16.8
121.92170	7.9
123.00777	60.9
123.04420	14.1
125.02334	12.8
126.05476	32.9
127.03943	11.2
130.08678	37.1
138.05489	100.0
141.01825	38.5
141.05432	12.2
143.03398	52.8
144.06570	50.9
156.97484	20.4
158.08131	11.4
169.01341	63.0
169.04909	8.4
174.98505	65.2
176.12772	47.0
183.18304	9.8
187.02339	37.5
204.06355	9.3
204.08604	16.8
222.06004	57.9
222.07933	14.3
222.13345	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03928	3.9
55.05499	28.4
56.96561	10.3
57.07056	9.3
62.87992	3.8
67.05505	60.0
69.03428	5.5
69.07050	22.6
70.61983	4.2
78.30792	4.5
79.05478	60.8
81.07048	98.4
83.08607	6.8
85.06533	11.3
91.05463	66.7
93.07034	100.0
95.04936	17.0
95.08591	81.1
95.85751	5.0
97.06534	5.6
98.97558	36.6
99.08055	26.3
104.18558	4.4
105.07021	41.0
107.08566	29.8
109.10155	10.2
111.08060	19.1
116.98616	47.2
117.07005	10.3
118.06519	7.4
119.06833	7.9
119.08562	66.1
121.02778	5.0
121.06480	8.1
121.10096	24.4
123.08054	42.0
129.06972	7.6
131.08543	17.4
133.10080	25.5
134.99623	25.0
135.08043	11.0
137.02333	7.7
137.09616	18.6
143.08504	16.5
147.11668	10.5
149.02321	75.7
153.00740	6.8
157.10094	6.0
159.11710	8.1
161.13243	11.0
162.09032	5.6
163.09369	7.0
175.14842	41.7
176.14317	23.3
177.09094	6.7
177.14658	28.4
185.13290	32.5
203.14284	69.1
215.75224	5.1
220.16891	41.2
221.07962	5.5
221.15308	73.8
221.17290	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.00289	1.0
53.03931	1.2
55.05506	13.3
57.07067	2.2
59.61517	1.0
67.05495	13.8
69.07050	13.3
71.04974	18.0
79.05471	27.9
81.07037	100.0
83.08589	2.3
91.05456	17.6
92.08633	1.1
92.65113	1.2
93.07021	52.5
95.04939	2.3
95.08582	25.5
95.31874	1.1
97.10133	1.2
98.97555	15.5
105.07014	36.1
107.08577	85.3
109.06520	1.6
109.10133	24.0
111.08078	1.2
116.98616	11.7
117.07012	2.0
119.08559	48.4
119.09388	2.4
121.10098	9.3
123.11690	14.3
125.09673	1.1
127.11190	6.6
128.06248	1.2
128.21999	1.1
133.10112	21.9
134.99663	5.8
135.11671	89.4
137.09557	1.0
137.13275	2.5
145.10147	2.4
147.11656	21.2
149.13225	6.3
153.00699	1.0
158.01256	3.8
159.11618	1.2
161.13220	7.0
161.43877	1.1
165.12769	1.4
175.14851	1.8
203.17932	25.5
221.18961	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	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
56.60672	0.3
56.96534	1.2
57.07057	1.2
61.39424	0.3
64.33053	0.3
67.05483	0.7
69.03374	0.3
69.07053	0.4
73.49173	0.3
76.59924	0.3
79.05462	0.7
81.07013	1.3
82.31522	0.3
91.05434	1.6
92.87685	0.3
93.07001	1.7
95.08562	0.8
98.97547	1.9
105.07001	2.0
107.08556	1.2
115.05422	1.5
116.06207	0.6
116.98609	2.5
117.07005	5.9
118.06550	3.4
119.06845	1.3
119.08557	2.0
121.06466	0.5
121.10146	2.5
128.06183	1.9
132.08069	1.2
133.06445	0.6
133.08420	0.4
133.10104	0.6
134.07236	1.6
134.99625	1.5
135.08018	0.8
143.08530	1.2
144.05640	0.6
145.06511	0.7
146.09685	0.4
147.09937	0.4
147.11673	0.5
149.02354	0.4
161.13205	0.7
162.06741	7.7
162.09091	2.0
163.09479	1.4
175.07533	3.4
176.10747	0.4
176.14301	6.9
177.09081	100.0
177.14648	8.0
180.02029	0.4
190.12262	0.3
190.76138	0.3
191.12511	0.6
203.10616	0.6
203.17978	0.4
220.16924	8.8
221.11644	0.4
221.17279	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	221.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05212	0.2
55.05504	4.6
57.07060	0.2
65.03929	2.2
67.05484	0.8
71.53372	0.2
73.06541	0.4
79.05478	0.3
81.07032	1.2
91.05447	0.8
93.03365	1.3
93.07025	1.0
95.08575	0.2
98.97552	0.3
105.07037	0.3
107.08554	0.8
111.04414	0.9
116.98582	0.3
119.08527	0.9
121.02837	11.4
121.03951	1.9
121.10115	1.1
123.08013	0.2
124.88551	0.2
129.07011	0.7
131.08531	0.8
143.04892	0.2
143.08586	0.2
149.02321	100.0
161.06026	0.6
161.13235	0.3
167.03372	1.2
175.07509	2.6
177.09091	0.7
185.05850	0.2
203.07033	1.0
203.14336	0.3
221.07986	1.1
221.15393	0.4
244.35014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.53427	0.7
50.61558	0.6
53.93226	0.6
55.01869	0.7
55.05506	1.7
57.07077	1.3
59.88920	0.7
67.05492	1.0
69.03420	1.2
69.07047	0.9
71.04983	0.9
77.84537	0.7
79.05479	0.9
81.03423	0.9
81.07021	1.4
82.02924	1.5
83.04972	1.4
91.05469	1.2
93.07051	3.1
94.06556	4.7
95.08620	1.3
97.02869	0.9
98.97559	4.9
103.05441	0.9
105.07017	3.3
116.98624	3.4
117.86273	0.7
119.01874	1.0
119.08552	1.7
121.00738	0.9
121.01637	0.9
121.06516	1.1
121.10102	5.8
130.06509	94.5
132.04434	57.0
133.10118	1.2
139.01784	1.6
147.04439	0.9
147.11678	0.9
148.07562	3.9
156.06810	0.9
157.07590	36.9
158.05991	100.0
175.01807	3.3
175.08636	70.9
176.07060	1.6
176.36412	0.7
186.05449	1.1
188.01012	0.8
193.02820	5.8
203.08119	1.5
204.06564	1.7
221.02480	1.1
221.09225	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	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42678	0.2
56.96556	0.3
64.48040	0.2
76.22869	0.2
79.05446	0.3
81.07000	0.4
83.73615	0.2
91.02813	0.2
91.05462	1.5
92.08698	0.7
93.07025	0.6
98.97550	1.2
105.07027	1.2
115.05406	1.0
116.06213	0.5
116.98558	0.6
117.06990	6.3
119.08547	0.4
121.03989	0.3
121.10114	0.6
128.06189	1.3
133.06456	0.5
134.07234	1.1
134.99706	0.3
135.08054	1.4
143.08560	1.2
144.05684	1.1
145.06461	1.2
147.04333	0.3
149.02341	3.3
161.05940	0.6
162.06703	7.4
171.08051	0.4
175.07567	2.6
177.09074	100.0
221.11725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82656	0.2
53.14214	0.2
55.05505	6.2
57.07049	0.2
65.03925	3.7
71.77744	0.2
73.06531	3.2
81.07031	0.4
90.31322	0.2
91.05457	1.1
93.03371	1.7
93.07009	0.9
98.97575	0.3
105.07045	0.3
111.04435	1.5
115.05384	0.3
117.06981	1.3
118.06507	0.9
119.08578	0.5
121.02834	11.5
121.03941	1.9
121.10133	0.8
121.32185	0.2
129.06934	0.2
131.08568	0.4
133.10104	0.3
135.08092	0.2
143.04880	0.3
149.02319	100.0
161.05946	1.2
162.06761	1.0
167.03352	1.3
175.07439	2.3
176.14281	1.6
177.09076	18.9
177.14684	0.5
203.06982	0.5
206.30914	0.2
220.16899	3.4
221.07983	1.5
221.11696	0.4
221.17256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
54.81728	0.2
55.05510	4.7
56.96541	0.2
60.89984	0.1
63.49982	0.2
65.03930	2.5
73.06533	0.3
85.68547	0.2
91.05449	0.9
93.03397	1.5
105.07034	0.2
107.08577	0.3
111.04411	1.0
121.02850	11.3
121.03957	1.5
121.10124	0.8
123.08072	0.3
129.06969	0.3
131.08549	0.5
143.04863	0.4
149.02330	100.0
161.05989	1.0
167.03383	1.4
171.24097	0.2
175.07527	2.7
177.09082	1.4
187.56464	0.2
203.07048	0.9
221.08022	1.2
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
55.01864	2.1
57.07074	8.8
59.04993	8.8
67.05496	8.9
69.07053	6.5
70.02940	11.0
72.04498	21.6
73.02885	4.1
83.05026	0.8
85.06530	15.1
86.09673	1.2
87.08064	1.1
90.05539	100.0
95.04944	10.8
96.08109	4.1
98.02400	21.9
98.97569	1.5
100.03941	1.6
100.80301	1.0
103.07590	8.1
113.05981	4.3
116.03438	13.7
116.98637	1.2
124.07580	26.6
131.07037	0.9
142.08626	8.5
147.04439	1.4
154.12074	0.8
156.10175	1.0
158.11737	1.1
160.09677	3.3
166.08574	1.7
173.06160	0.9
174.05525	0.9
174.11235	1.7
177.00671	1.3
184.09686	19.6
192.02869	4.5
202.10710	23.9
220.11769	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
52.80102	0.2
70.66743	0.2
92.08693	0.5
98.97527	0.3
106.20440	0.3
107.06746	0.3
110.87244	0.3
116.98199	0.2
117.06934	0.4
118.06518	15.2
119.07272	0.3
132.08051	4.1
133.08870	2.4
134.09607	1.1
144.08051	0.3
146.09630	3.3
160.11191	0.4
162.09105	8.4
176.10713	5.8
176.14305	40.2
177.09059	1.1
177.11435	2.5
190.12238	4.4
190.16103	0.2
202.15877	1.4
204.13712	0.2
220.16925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55590	0.3
70.23743	0.3
92.09356	0.7
98.97536	1.9
101.00863	12.9
116.98605	1.8
119.01904	100.0
120.02006	0.4
121.10081	0.4
134.99658	0.6
137.02939	44.2
142.03444	1.6
143.01855	0.3
143.03656	0.4
157.08846	0.3
160.04549	0.6
161.02936	12.8
161.04767	0.6
178.05609	0.3
179.03979	30.4
183.50458	0.3
184.04500	0.4
197.98956	0.3
203.03984	0.4
204.03018	0.3
221.01732	0.4
221.05045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Cryptomerione
Peak:m/z	Relative Intensity
52.89420	1.5
53.00275	1.8
53.03940	1.8
55.01848	2.4
55.05505	21.6
57.03429	2.1
57.07057	10.2
58.33168	1.6
59.04983	4.5
59.13977	1.7
67.05492	35.5
69.03397	2.0
69.07056	97.0
71.04974	35.2
71.08625	2.7
73.43592	1.7
79.05464	14.1
81.07043	67.7
83.04970	2.6
83.08596	9.1
85.06533	4.0
91.05462	21.2
93.07027	42.0
94.87868	1.7
95.04937	11.3
95.08590	93.7
97.06487	7.4
97.10139	1.9
102.89638	1.8
105.07014	59.1
107.08584	55.1
109.06506	13.1
109.10147	56.7
109.10886	1.7
111.08071	3.4
117.06987	10.7
119.08562	53.2
119.98129	1.7
121.06480	8.3
121.10123	46.0
123.08043	3.9
123.11697	17.3
125.09614	2.4
129.06958	2.7
130.07761	10.4
131.08549	22.4
133.10088	21.1
135.08020	8.5
135.11673	30.8
137.09612	23.2
137.13226	10.5
143.08501	3.3
145.10106	57.3
147.11699	10.5
149.09583	21.0
149.13257	7.4
151.11107	2.9
159.11670	18.8
161.13228	19.8
163.11147	33.7
171.11673	1.9
173.13278	8.8
175.14867	12.5
177.12711	7.3
189.12691	3.1
191.17923	10.1
201.16350	26.9
219.17422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05505	1.3
56.96569	1.6
57.07071	9.6
59.04992	8.2
67.05482	8.0
67.95240	1.0
69.07049	5.2
70.02938	9.9
72.04126	1.1
72.04502	20.3
73.02891	5.5
74.02430	1.3
81.01313	0.9
83.04948	1.2
85.06527	14.4
86.09711	2.0
87.08092	2.3
90.05541	100.0
95.04953	10.4
96.08098	1.7
98.02406	21.9
98.97556	7.8
100.03974	1.9
103.07550	8.6
113.06043	2.9
116.03442	14.1
116.98614	4.5
124.07567	26.0
134.15343	1.0
135.04417	1.6
137.05992	1.5
142.08607	8.9
146.05959	1.3
147.04349	1.5
158.11699	2.0
158.99596	1.8
160.09671	1.3
163.03854	5.0
166.08632	1.7
174.05519	1.8
174.11279	2.1
177.00706	2.1
184.09656	17.0
202.10744	22.5
220.11804	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07168	67.6
77.32879	64.5
92.08741	83.1
93.71030	76.1
173.26923	67.8
174.54527	80.9
219.02707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48370	1.7
53.03926	2.8
54.21743	1.9
55.05500	11.9
57.03416	2.7
57.07058	5.7
59.04993	2.7
67.05497	28.9
69.07054	79.8
69.33382	2.3
71.04980	32.7
74.99018	2.4
79.05498	17.5
81.07044	60.5
83.08599	11.8
84.78767	2.1
85.06522	3.2
85.69353	1.9
91.05455	18.5
93.07025	41.9
95.04943	9.8
95.08592	81.6
97.06492	4.6
105.07016	55.1
107.08578	53.5
109.06533	13.4
109.10140	49.3
111.08051	3.8
117.06996	13.6
119.08553	51.2
121.06460	4.2
121.10115	39.6
122.88518	2.4
123.08037	9.6
123.11684	9.5
130.07799	3.2
131.08539	17.6
133.10127	22.7
135.08034	11.5
135.11667	29.0
137.09586	21.5
137.13240	12.6
145.10098	59.9
147.11691	8.9
149.09619	18.6
149.13263	5.0
151.11194	3.3
159.11665	20.6
161.13235	15.9
163.11151	25.7
173.13240	9.2
175.14830	8.7
177.12665	4.7
191.17961	13.0
201.16359	25.3
219.15314	3.5
219.17427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
52.48370	1.7
53.03926	2.8
54.21743	1.9
55.05500	11.9
57.03416	2.7
57.07058	5.7
59.04993	2.7
67.05497	28.9
69.07054	79.8
69.33382	2.3
71.04980	32.7
74.99018	2.4
79.05498	17.5
81.07044	60.5
83.08599	11.8
84.78767	2.1
85.06522	3.2
85.69353	1.9
91.05455	18.5
93.07025	41.9
95.04943	9.8
95.08592	81.6
97.06492	4.6
105.07016	55.1
107.08578	53.5
109.06533	13.4
109.10140	49.3
111.08051	3.8
117.06996	13.6
119.08553	51.2
121.06460	4.2
121.10115	39.6
122.88518	2.4
123.08037	9.6
123.11684	9.5
130.07799	3.2
131.08539	17.6
133.10127	22.7
135.08034	11.5
135.11667	29.0
137.09586	21.5
137.13240	12.6
145.10098	59.9
147.11691	8.9
149.09619	18.6
149.13263	5.0
151.11194	3.3
159.11665	20.6
161.13235	15.9
163.11151	25.7
173.13240	9.2
175.14830	8.7
177.12665	4.7
191.17961	13.0
201.16359	25.3
219.15314	3.5
219.17427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13412	3.4
75.47133	3.5
76.38181	3.5
80.94849	4.1
87.34811	3.8
87.55209	3.7
89.53906	3.9
92.68537	3.7
97.68279	3.5
103.72524	4.1
115.66471	3.3
135.94498	4.0
147.39371	3.6
165.40031	4.5
214.84993	8.2
215.05219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
55.05504	7.4
58.56468	3.2
59.93545	3.7
66.60931	3.4
68.83359	3.5
72.71196	3.1
83.04960	19.4
83.40654	3.7
85.11732	3.3
96.90557	4.0
99.32886	3.7
107.24586	3.8
111.04392	14.8
111.95042	3.5
121.51061	4.1
125.30788	3.4
150.87549	3.4
155.07007	16.5
173.08061	8.1
217.06789	100.0
217.10262	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	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50445	1.3
50.67604	1.3
52.37922	1.2
55.01862	2.6
55.05506	48.5
59.04977	1.7
67.05493	1.7
69.03407	1.6
70.06561	2.2
83.03008	1.7
83.04963	75.5
84.04495	2.9
85.06525	2.0
87.04474	2.5
88.75936	1.4
89.02371	3.1
89.05998	14.1
99.04420	6.2
100.67628	1.6
101.06009	24.8
111.04427	100.0
113.05988	11.2
127.07516	9.8
129.05466	13.4
130.04958	2.1
154.08656	3.6
155.07008	90.2
173.08055	57.5
199.02113	7.4
217.03255	33.8
217.06790	75.1
217.10637	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03922	1.3
55.01858	4.7
55.05508	18.9
56.96556	0.7
57.03426	0.9
57.07059	4.0
66.71656	1.0
67.05496	9.2
67.06802	0.7
69.03416	3.6
69.06715	1.5
69.07060	28.6
71.04971	5.1
72.76160	0.7
74.78169	0.8
75.52980	0.7
75.62686	0.8
79.00784	0.8
79.05479	10.1
81.06606	1.2
81.07042	29.5
83.08607	18.1
85.06536	6.5
88.07616	7.8
89.45472	0.9
90.94754	0.9
91.05466	6.4
93.07023	25.8
93.07570	1.5
95.04939	1.3
95.08587	55.4
97.10143	12.3
98.97581	1.2
99.08072	28.3
100.07584	1.1
105.06994	4.1
107.08579	63.0
109.10153	14.1
111.08067	16.0
111.11717	1.1
113.09626	5.0
119.08550	1.4
121.10121	92.5
123.08053	1.0
123.11636	1.7
125.09638	8.1
133.07533	0.9
135.11674	20.7
137.13217	10.4
139.11162	1.7
148.97304	1.6
149.13257	7.3
151.14851	1.0
177.16356	100.0
195.17415	11.9
213.16237	1.5
213.18495	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	214.253
Annotation	Medelamine A
Peak:m/z	Relative Intensity
53.03901	1.1
53.43209	1.3
56.96542	2.4
57.07071	19.9
59.67868	1.2
66.51980	1.4
67.05497	1.5
69.07043	1.8
70.95818	1.6
71.08619	8.0
72.93758	3.5
85.10162	2.7
90.90385	1.8
90.94793	3.0
91.05460	32.2
95.04922	1.8
95.08601	1.7
106.87926	1.4
108.19237	1.4
116.15944	1.3
131.92992	1.8
131.97398	6.5
132.95776	5.5
141.00063	2.5
146.43466	1.4
149.66130	1.3
149.93965	3.0
149.97252	1.6
149.98491	5.9
150.96843	16.8
164.14993	1.5
167.97142	3.0
173.98491	4.9
191.99509	3.1
214.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13412	3.4
75.47133	3.5
76.38181	3.5
80.94849	4.1
87.34811	3.8
87.55209	3.7
89.53906	3.9
92.68537	3.7
97.68279	3.5
103.72524	4.1
115.66471	3.3
135.94498	4.0
147.39371	3.6
165.40031	4.5
214.84993	8.2
215.05219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01864	4.3
55.05507	36.0
57.03430	51.8
67.05501	97.8
69.07066	35.4
70.06589	4.6
71.04985	5.3
79.05473	83.0
81.03413	16.7
81.07040	43.5
83.04971	20.4
83.08612	8.6
88.07636	53.4
91.05452	38.8
93.07034	100.0
95.04941	16.5
95.08598	7.7
97.06532	25.3
97.10139	15.2
105.07035	9.8
107.08598	57.9
114.05553	4.3
117.07063	4.7
119.08552	15.1
119.10293	3.9
121.10144	16.5
133.10091	4.9
135.11667	90.3
137.09570	4.5
145.10117	19.1
149.94022	15.7
163.11156	4.1
166.15260	4.2
181.12262	22.0
206.23177	4.8
213.16162	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	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03925	2.7
54.81568	0.8
55.01859	3.8
55.05504	21.6
55.98193	0.5
57.03430	23.4
57.07067	4.5
64.47015	0.6
65.03923	1.2
66.14332	0.5
67.05492	73.4
69.07056	29.4
69.59108	0.6
71.01316	0.9
71.04977	6.2
71.08610	1.0
73.02879	1.3
79.05474	43.4
81.03403	1.3
81.07038	100.0
83.04968	12.1
83.08606	15.3
85.06528	2.9
88.07591	3.2
91.04897	0.8
91.05456	25.3
93.07022	74.9
95.04951	8.1
95.08587	25.8
95.14483	0.8
97.06503	14.4
97.10118	1.1
99.08045	3.5
105.07008	5.8
107.04972	1.0
107.08574	37.0
109.06535	2.9
109.10141	3.2
111.08085	6.9
113.09581	0.9
117.06990	9.5
119.08578	0.9
121.06459	1.5
121.10125	16.8
123.11677	1.5
123.80339	0.7
131.08549	10.5
133.10126	7.8
135.08022	1.0
135.11670	10.0
147.11627	1.0
147.40448	0.6
149.09645	0.8
149.13234	37.4
153.09152	0.6
154.82864	0.6
159.11667	14.6
172.68776	0.7
177.12801	6.2
195.13774	8.4
203.17058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01856	2.9
55.05511	20.0
57.07066	3.6
58.89909	1.4
62.73989	1.3
67.05483	9.5
69.03387	5.2
69.06709	2.0
69.07053	31.4
69.09434	1.3
71.04975	7.3
75.19714	1.3
79.05486	14.9
81.07050	27.7
83.08605	19.1
85.06513	3.2
88.07603	9.0
91.05456	8.2
93.07026	33.3
95.04960	2.2
95.08589	61.6
97.10139	9.1
99.08076	23.6
105.07043	12.1
107.08577	77.3
109.06529	2.3
109.10148	17.7
111.08052	15.5
113.09612	1.4
114.38473	1.4
119.08550	5.2
121.10131	100.0
123.11681	2.5
125.09631	14.4
133.10094	10.6
135.11685	29.0
135.65784	1.3
137.13243	10.3
139.11192	2.1
148.97295	1.7
149.13269	6.2
160.29585	1.4
161.09602	3.2
177.16359	96.8
179.10634	17.5
186.53258	1.6
191.23203	1.3
195.17462	13.8
197.11700	29.7
213.15991	1.7
213.18480	3.5
217.19522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.49245	4.9
50.87794	5.1
55.05502	73.0
57.03421	12.0
57.07053	27.2
63.69083	4.9
67.05480	62.2
69.07047	25.4
70.06564	13.9
79.05463	49.6
81.07047	87.8
83.04961	28.6
83.08604	22.0
84.95886	6.4
85.06495	6.4
88.07616	89.1
91.05454	33.8
93.07026	94.5
95.04926	8.0
95.08578	23.9
97.06507	29.8
105.07007	9.7
107.08577	54.6
109.10133	8.3
111.04420	100.0
117.06955	6.5
119.08581	9.4
121.10120	24.1
125.05942	36.7
131.08456	10.3
133.10043	8.3
135.07999	13.0
135.11688	25.2
145.10052	24.5
149.13260	24.7
163.11122	25.0
179.28523	5.6
181.12184	54.7
195.13753	14.5
197.13104	5.9
213.15994	7.7
216.63782	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.80427	0.8
53.03941	0.8
55.01859	1.8
55.05487	1.2
56.96551	1.1
61.02910	8.7
65.03918	7.4
65.76163	0.7
67.05475	5.3
67.81441	0.7
69.07036	1.0
71.04961	1.5
79.05476	22.0
81.07034	1.1
83.04974	1.5
88.07602	5.5
89.03911	0.9
91.05460	6.0
93.03392	8.5
95.04926	7.4
98.97588	1.2
101.05994	1.0
105.03362	2.1
106.77654	0.8
106.93568	0.7
107.04938	26.4
107.08515	1.0
108.02070	2.1
109.02862	1.3
110.03651	22.2
111.04424	17.2
117.03356	1.9
119.04889	1.4
121.06485	9.5
122.03620	7.4
125.05972	41.3
130.96269	1.7
133.02827	14.2
135.04378	22.7
135.07982	1.0
137.05949	5.5
141.05510	6.9
147.04395	1.3
148.97331	9.3
149.05962	17.1
150.03102	10.9
151.03894	100.0
151.05014	14.7
153.05455	8.2
162.03127	1.3
163.03888	5.9
165.05452	32.1
165.97484	1.4
167.07043	9.3
176.05165	0.9
177.05424	14.5
177.08928	2.3
189.04376	1.0
195.06564	9.3
195.08073	1.0
195.10161	2.2
213.07504	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	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03944	2.1
55.01866	19.9
55.05506	100.0
56.96552	2.9
57.03421	2.5
57.07059	2.0
59.04977	1.9
59.32745	1.6
61.26243	1.6
67.05498	33.1
69.03407	8.7
69.07049	22.7
70.06598	2.2
71.04983	68.0
78.49816	1.8
79.05483	30.5
81.03395	2.6
81.07047	44.3
83.04967	4.2
83.08609	47.5
85.06517	7.2
87.04449	8.4
88.07614	23.6
91.05458	7.8
93.07011	25.7
95.08585	13.2
96.55375	1.9
97.06516	79.9
97.10148	63.9
98.97543	4.1
105.07003	2.6
105.83383	2.1
107.08583	25.1
109.10130	8.9
111.08053	8.0
116.98567	2.7
117.07017	2.5
121.10112	4.4
125.09608	28.7
131.08504	8.1
134.99638	2.1
135.08022	3.6
135.11697	8.2
149.09555	6.6
159.11652	2.5
177.12717	2.9
189.11101	3.4
195.13745	28.2
213.14780	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	CJ 14877
Peak:m/z	Relative Intensity
51.48555	0.4
55.01833	0.6
55.05473	1.1
56.96540	1.0
57.03419	0.6
64.05441	0.4
69.03391	1.1
71.04937	0.6
71.20226	0.5
73.02882	0.6
76.24601	0.5
81.03011	0.4
81.03398	8.3
85.02855	2.8
91.05433	0.7
97.02870	1.1
98.97580	4.1
99.04406	0.6
109.02875	6.2
116.98578	2.1
120.08086	1.2
123.06736	0.6
124.07539	2.1
127.03876	2.0
134.05994	21.5
136.07556	3.7
137.08263	1.0
140.18828	0.4
143.30092	0.6
147.04367	2.4
148.07570	6.7
148.97284	0.5
152.07050	42.1
157.84697	0.5
158.99548	0.6
166.08603	42.6
176.07031	10.2
177.00629	0.6
179.02217	0.7
188.92520	0.5
194.08099	100.0
195.08484	0.6
197.92657	0.5
212.09152	39.7
228.46358	0.5
233.02054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10428	1.5
51.83916	1.5
53.03944	2.0
55.01862	3.0
55.05505	20.9
56.96552	7.3
57.03431	27.4
57.07057	7.2
57.09917	1.4
59.73764	1.5
67.05494	38.4
69.03411	2.4
69.07054	20.3
71.04980	9.1
79.05466	15.0
81.03413	3.0
81.07042	44.6
83.04971	9.2
83.08620	10.3
85.06547	7.4
91.05459	22.1
92.09329	2.3
93.07023	38.5
95.04942	12.5
95.08585	60.3
95.09192	2.5
97.06510	9.1
97.10181	2.1
99.08072	3.9
101.98973	1.8
105.07003	20.3
107.08581	40.1
109.06516	11.2
109.10143	100.0
111.08062	39.3
119.08581	38.9
121.06548	1.9
121.10133	25.5
122.07292	2.1
123.08038	43.9
123.11691	18.9
125.09659	6.6
131.08542	3.3
133.10117	40.2
135.11688	39.8
137.09593	75.1
137.92398	1.7
138.10393	10.3
139.11189	2.4
141.33592	2.0
147.11676	10.1
149.13219	10.1
151.11176	11.5
151.14830	3.8
163.11179	2.9
163.14825	3.1
165.09158	3.2
165.12720	9.0
167.10724	3.3
175.11186	3.6
175.14798	34.8
178.13501	2.4
193.12291	2.2
193.15826	19.4
211.16954	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
55.05504	19.7
56.96551	1.3
57.07046	4.6
57.48115	0.8
58.35124	1.0
66.46333	1.0
67.05486	35.4
69.03423	8.9
69.06770	0.9
69.07053	16.8
71.04970	4.8
76.43546	0.9
79.05463	5.7
80.12233	1.1
81.07034	27.2
83.04958	9.3
83.08609	4.9
83.87386	1.0
84.88096	1.0
85.06525	5.3
88.98246	1.0
91.05458	5.3
93.07021	17.4
95.04951	1.3
95.08009	1.8
95.08588	41.2
97.06476	1.7
97.10122	4.0
97.66489	1.2
99.08074	5.8
105.07037	10.8
107.08568	23.5
109.06484	8.6
109.10137	100.0
110.10454	1.2
111.08046	4.6
119.08553	29.5
121.10118	15.7
122.07245	1.7
123.08040	19.8
123.11678	12.6
123.27391	1.2
131.08472	1.3
133.10104	30.2
135.11659	35.8
137.08688	1.2
137.09596	30.2
147.11656	1.7
149.13248	4.7
151.11198	7.5
151.14795	8.1
175.14761	28.1
193.15878	16.2
204.79704	1.0
211.16936	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01875	3.5
55.05508	21.0
56.96563	14.1
57.03429	27.9
57.07064	3.3
63.74131	1.5
66.67230	1.8
67.05498	51.3
69.03419	7.5
69.07063	21.3
71.04987	9.4
71.08613	2.4
79.05470	17.4
79.94867	1.7
81.03378	2.6
81.07039	50.7
83.04960	13.9
83.08624	15.3
85.06548	3.9
87.04474	1.7
91.05460	21.7
93.07029	36.6
95.04948	11.5
95.08580	69.0
97.06517	12.1
97.10139	2.4
99.08126	1.9
105.07013	19.9
107.08580	46.9
109.06528	11.7
109.10145	100.0
111.08058	36.1
119.08562	46.5
121.10130	24.8
121.74943	1.7
123.08049	46.6
123.11694	14.8
125.09624	8.0
131.08531	2.2
133.10112	35.6
134.98601	1.7
135.11681	40.4
137.09598	73.2
137.13240	4.1
137.69875	1.7
138.10381	10.8
139.11127	2.7
146.99568	1.6
147.11700	12.4
149.09624	3.1
149.13251	14.9
151.11180	10.8
151.14825	3.9
152.60974	1.8
157.10106	2.7
163.14864	2.3
165.09091	3.6
165.12706	7.4
167.10710	7.5
175.11200	3.0
175.14819	39.6
193.12270	2.6
193.15910	26.3
202.80963	2.0
202.82889	2.0
211.16931	28.6
218.35794	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01862	0.9
55.05273	1.1
55.05508	19.8
56.96544	3.1
57.03433	5.4
57.07076	6.6
59.04985	3.1
67.05496	34.5
69.03424	13.5
69.07061	18.6
71.04960	4.3
71.08611	0.9
79.05480	7.9
81.07042	36.6
83.04973	12.5
83.08606	8.6
85.06522	4.4
91.04923	0.7
91.05472	7.5
92.64441	0.8
93.07036	15.1
95.04968	5.6
95.08587	41.5
97.06504	3.1
97.10161	1.0
98.37189	0.8
99.08078	1.8
105.07011	10.2
107.08583	29.4
109.06510	13.3
109.10147	100.0
111.08051	3.5
113.09621	1.3
119.07712	1.3
119.08560	27.4
121.10131	10.7
121.54485	0.8
123.08049	13.8
123.11695	7.9
125.09579	1.2
131.08519	1.3
133.10121	23.6
135.08102	0.8
135.11684	57.1
137.09599	13.3
139.11122	3.0
139.18762	0.9
147.11627	1.3
149.13249	4.2
151.11177	11.0
151.14818	8.3
153.12656	1.5
165.16391	1.0
167.10591	1.1
168.80196	0.8
175.14804	17.3
193.12196	0.8
193.15883	11.3
209.02576	0.8
211.16907	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.00304	1.1
53.03941	7.2
53.91192	0.6
55.01870	5.8
55.05509	14.9
56.96559	10.5
57.03432	61.3
57.07068	1.0
65.03934	6.7
67.05500	23.6
69.03422	1.7
69.07056	9.9
71.04984	6.3
77.03910	1.1
79.05480	40.3
79.74139	0.8
81.03391	1.4
81.07043	29.9
83.04984	4.1
83.08598	1.8
84.96026	1.6
85.06552	3.7
91.05466	100.0
93.07029	35.4
94.04238	0.8
95.04949	21.7
95.08598	10.1
97.06507	1.6
97.99171	1.3
103.05477	4.8
104.06240	4.4
105.04513	1.9
105.07012	11.1
107.04943	10.1
107.08574	11.4
109.06505	19.3
109.10162	3.8
111.04429	0.8
115.05430	5.0
116.00240	1.3
117.06996	16.3
119.08573	20.1
120.05703	1.6
121.06508	5.4
121.10152	3.1
123.08067	1.4
123.11803	0.8
126.10320	0.7
128.06215	4.2
129.07014	4.3
131.04958	1.1
131.08575	4.8
132.05745	1.9
135.08105	0.9
145.06502	1.0
147.08047	1.2
147.11763	1.0
149.02139	0.8
159.11707	1.9
165.12730	1.0
177.12735	1.2
219.48119	0.8
219.85501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.19764	1.7
55.05505	20.7
57.07066	2.9
66.09983	1.8
67.05180	3.2
67.05497	43.7
68.77245	2.2
69.03413	9.6
69.07066	19.2
71.04977	3.7
73.16297	2.3
75.29256	2.0
79.05467	10.3
79.15282	2.3
81.07037	36.9
83.04962	15.4
83.08569	3.7
91.05463	10.4
92.09258	4.8
93.07040	17.0
95.04947	4.6
95.08585	50.7
99.08072	12.9
99.38675	2.0
105.07005	12.7
107.08586	32.0
109.06499	13.0
109.10145	100.0
111.08057	4.3
116.03372	2.4
119.08572	31.3
121.10117	13.3
123.08077	16.9
123.11653	16.8
128.76064	2.2
133.10118	30.5
135.11659	44.2
137.09590	27.5
149.13290	3.5
150.48117	2.4
151.11154	7.9
151.14748	6.2
172.80075	2.6
175.14792	23.5
193.15874	18.4
211.16820	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	210.0761
Annotation	Penidilamine
Peak:m/z	Relative Intensity
53.03919	3.2
55.05502	1.6
56.96558	0.7
57.03430	6.6
58.15167	0.6
59.04987	1.3
61.67984	0.6
71.01319	3.3
79.05482	1.0
80.04999	100.0
80.35336	0.6
82.06573	0.7
83.04941	1.0
85.02892	84.7
91.05468	0.8
93.06972	1.0
96.04427	1.3
103.03883	1.3
104.94824	0.7
106.06536	9.6
108.08086	2.8
108.08845	0.8
113.02332	0.9
118.06561	6.5
119.23341	0.7
120.08091	0.8
121.10153	0.9
122.10465	0.8
131.03362	3.1
136.07556	8.5
139.50563	0.8
150.05478	3.7
164.07034	6.8
168.14561	0.9
182.08009	1.0
182.73439	0.7
210.07581	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03940	4.2
55.01863	3.6
55.05506	59.8
56.96550	5.6
57.03434	21.7
60.80262	2.5
67.05495	47.2
69.03407	11.5
69.07040	14.2
71.04970	4.1
79.05481	37.3
81.03401	100.0
81.07037	45.2
83.04967	74.3
83.08608	32.9
86.82869	2.5
91.05454	42.5
92.08656	2.6
93.07024	30.6
94.73196	2.5
95.04946	37.8
95.08579	15.8
97.06501	9.3
97.10120	10.3
105.07024	34.3
107.04932	5.9
107.08575	11.5
109.06500	4.9
109.10180	3.4
111.08079	9.2
115.05360	2.6
119.08568	23.5
121.10103	4.1
123.08019	5.4
129.06978	14.0
131.08517	15.3
133.06476	3.3
133.10124	13.7
142.07773	3.1
147.11656	12.4
149.09612	3.7
157.10109	14.0
166.98270	2.4
175.11156	12.5
177.20908	2.3
193.12265	34.8
193.34915	2.5
211.13252	29.7
228.19638	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	1.5
54.66116	1.2
55.05492	8.1
56.96551	21.6
57.07054	2.6
59.04980	2.3
67.03487	1.4
67.05484	17.1
67.98309	1.4
68.99773	12.5
69.03436	1.3
69.07058	18.5
73.06535	3.1
75.04462	14.1
78.33109	1.4
79.05459	2.8
81.03409	2.3
81.07034	38.4
81.60701	1.5
83.04974	2.6
84.01888	1.3
84.95996	1.9
85.02867	1.2
85.06519	17.7
86.74436	1.5
90.20174	1.3
91.05437	5.7
92.09404	1.6
93.06996	12.3
95.04944	85.4
95.08580	33.8
97.06470	2.2
97.99138	1.7
99.04414	3.6
104.22596	1.2
104.45819	1.4
105.06996	9.3
107.08564	8.3
109.06515	5.7
109.10131	22.7
111.04432	2.6
116.00187	2.1
119.08562	7.5
121.06474	3.5
123.04416	2.1
123.11677	100.0
133.10094	9.9
135.11639	2.2
137.09598	28.6
139.07529	25.4
151.11134	11.4
161.09558	3.6
166.55350	1.8
175.14903	1.3
179.10635	39.1
211.13293	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05510	6.1
56.95119	0.5
57.07047	1.2
65.03927	1.1
67.05495	6.4
67.05783	0.8
68.77142	0.6
68.77555	0.6
69.03423	7.2
69.07057	5.2
71.04971	1.6
79.05474	12.0
80.04984	0.7
81.03411	1.2
81.07034	22.2
82.88929	0.8
83.04959	1.2
83.08609	1.0
83.95959	0.7
91.05461	16.4
91.66553	0.7
93.07035	7.3
95.04931	3.3
95.08578	3.7
97.06506	1.0
103.05470	1.0
105.07011	16.0
107.04926	1.1
107.08578	37.1
109.06507	15.7
109.10142	13.9
115.05430	7.2
117.06982	6.6
118.07777	0.6
119.06046	1.5
119.08548	7.5
120.05698	0.8
121.06470	1.2
121.10125	22.2
122.07269	13.6
123.08047	2.8
123.11597	1.0
130.04933	1.0
131.08504	3.6
132.40869	0.7
133.10104	100.0
135.08043	25.0
135.11668	2.6
137.09593	84.5
143.08539	1.0
145.10092	1.1
147.11606	2.3
149.13239	14.1
151.11176	3.3
158.10936	1.2
163.14871	0.8
173.13217	4.9
191.14267	4.5
213.29398	0.7
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
51.78064	0.2
53.03917	0.5
53.80817	0.2
55.01857	1.1
55.05497	1.3
56.96581	0.2
57.03413	0.3
57.07074	4.3
59.04992	0.6
60.34970	0.2
65.03912	0.3
67.05495	7.6
69.03407	1.6
69.07056	2.4
71.04977	5.8
72.73407	0.3
75.81496	0.3
79.05486	5.0
79.70578	0.2
81.03386	0.4
81.07044	6.6
83.04962	1.2
83.08625	0.4
85.06532	0.5
91.05466	5.2
93.07031	5.5
95.04950	4.3
95.08595	5.9
97.06515	0.6
101.77816	0.3
105.07023	6.7
107.04951	0.4
107.08587	10.1
109.06506	100.0
109.10148	16.6
111.08073	2.8
115.05460	0.6
117.06993	2.0
119.08566	2.7
121.06463	1.0
121.10136	4.3
123.08053	8.2
125.09664	0.3
129.06970	0.4
131.08543	9.6
133.06477	0.3
133.10114	5.1
135.08035	26.0
135.11681	0.5
137.09572	0.3
139.10246	0.3
139.11116	1.8
143.08594	0.5
145.10132	1.9
147.11668	1.2
148.08820	0.5
149.09650	2.5
149.13242	1.5
150.10390	1.7
151.11159	3.7
153.09097	2.2
158.10916	1.6
161.09615	0.5
163.11180	0.3
163.14867	0.4
165.12610	0.3
167.23196	0.3
173.13237	6.2
176.11937	0.3
191.14275	16.6
209.15347	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.40947	8.2
53.03932	12.8
54.81995	13.7
55.05508	25.4
56.96550	64.0
57.07078	23.3
59.75346	9.2
61.56656	8.8
67.05485	61.4
69.07060	48.3
71.04980	19.6
79.05466	49.9
81.03390	25.6
81.07059	80.6
84.14307	9.8
84.91725	9.9
85.06530	45.7
91.05447	40.1
93.07043	72.1
95.04955	20.5
95.08587	41.7
96.63710	11.2
97.06507	14.2
105.06992	83.5
107.08576	88.2
109.06492	48.2
109.10149	58.3
113.06013	14.8
116.06188	11.5
119.08558	14.3
121.10126	25.1
123.08005	14.1
123.11718	16.3
131.08543	44.7
133.10106	100.0
135.07947	10.3
149.13194	12.7
151.11137	24.1
158.10890	11.2
173.13232	58.4
191.14330	19.4
209.15324	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.26631	0.4
53.03927	2.2
55.01856	0.9
55.05506	100.0
56.96555	0.5
57.03426	2.4
57.07065	3.8
57.07343	0.4
59.04991	4.7
65.18306	0.5
67.05493	14.3
69.03417	8.3
69.07056	7.1
71.04981	4.8
79.05482	8.7
81.03402	1.0
81.07036	21.0
83.04965	65.9
83.08607	41.0
85.02887	0.8
85.06532	4.3
85.32788	0.6
91.05450	7.0
93.07024	11.1
95.04947	13.4
95.08582	12.0
97.06514	11.6
97.10149	9.6
99.04423	1.0
99.08075	1.2
103.05529	0.6
105.07011	10.8
107.08580	28.1
107.09301	1.1
109.06506	22.6
109.10144	26.0
111.08055	12.7
112.08839	0.9
113.05993	1.2
113.09640	2.4
115.21059	0.6
117.07005	1.0
119.08537	4.0
121.10126	16.0
123.08064	2.5
123.11691	10.0
125.09602	15.4
130.05052	1.1
131.08548	6.0
133.10107	17.8
135.08031	3.5
135.11673	2.3
137.09624	0.9
139.07545	0.8
143.08572	1.0
144.74706	0.7
145.10120	2.5
147.11609	1.9
149.09622	2.5
149.13235	9.7
150.96808	0.6
151.11163	33.1
151.12332	1.2
153.09065	5.0
158.10895	2.5
163.03929	0.9
163.11099	0.6
163.14842	1.3
167.14285	49.0
173.13226	6.4
191.14290	6.8
209.15340	27.0
225.81784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.25969	2.2
53.03929	3.6
54.81712	2.8
55.05508	100.0
56.86374	2.2
56.98449	2.4
59.60133	2.5
67.05489	13.8
68.06085	2.8
69.03411	6.2
69.07066	6.0
74.61701	2.5
79.05487	6.1
81.07031	18.0
83.04975	64.5
83.08614	36.4
85.06560	2.9
91.05468	5.2
92.09290	3.0
93.07029	15.1
95.04957	20.3
95.08575	7.3
96.59408	2.7
97.06520	4.6
103.05503	3.2
105.07023	16.0
107.08588	23.1
109.06476	6.0
109.10152	24.8
111.08095	10.4
115.56916	2.9
117.07029	3.1
119.08567	4.8
121.10118	11.6
123.11683	6.7
125.09656	3.0
131.08566	12.9
133.10107	20.7
145.10191	3.4
149.09552	4.6
149.13216	6.4
151.11127	22.4
159.95341	3.2
167.14284	41.3
173.13344	3.7
178.33524	2.9
209.15321	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.71301	0.5
53.03924	1.7
55.01866	53.3
55.05505	23.3
57.03416	4.1
57.07058	1.1
59.04972	0.7
65.03926	1.8
67.05139	1.5
67.05492	37.9
69.03404	1.4
69.07053	8.6
71.04980	3.2
78.43866	0.7
79.05473	24.5
81.03418	3.1
81.06590	1.4
81.07041	25.1
83.04963	100.0
83.08594	9.8
85.02886	4.0
85.06525	1.9
91.05460	16.1
93.03378	1.4
93.07024	38.4
95.04953	7.4
95.08578	6.3
97.06509	11.8
99.04396	5.7
99.08067	4.2
103.05412	0.8
105.07034	4.5
107.04919	5.4
107.08565	16.7
109.06516	1.7
109.10159	6.2
110.74934	0.7
111.04421	89.1
111.08056	40.9
116.06161	0.9
117.06995	7.8
119.08554	9.1
119.79076	0.9
121.06469	3.4
121.10115	11.4
125.05994	5.4
129.05473	1.8
129.07002	1.9
131.08560	8.4
135.08054	3.4
135.11687	14.6
138.83006	0.8
145.10083	12.0
147.07982	1.2
149.09586	7.3
153.12720	20.2
155.08543	3.1
163.11150	26.3
173.09610	4.2
181.12212	12.2
184.51198	0.9
191.10651	13.8
209.11728	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	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
50.18829	1.5
55.05508	53.9
57.07063	1.7
59.04966	2.2
65.40361	1.7
67.05482	4.4
69.03419	2.2
69.07048	9.7
71.04973	3.8
79.05478	14.8
81.03378	1.9
81.07024	7.7
83.04972	17.5
83.08597	27.1
84.53996	1.5
91.05450	9.3
92.09332	1.8
93.07022	50.2
95.04950	48.2
95.08589	8.9
97.06458	2.1
97.10126	2.9
99.04430	4.4
105.07018	12.3
107.08578	44.1
109.06495	9.1
109.10126	12.0
111.08078	4.0
119.08545	4.4
121.10120	100.0
121.10982	4.1
125.09578	6.7
133.10118	3.8
135.11659	3.9
149.13264	2.7
151.11128	16.7
153.09090	3.6
163.14810	18.7
167.14258	21.5
191.14235	7.7
209.15276	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01869	3.6
55.05505	14.3
56.96555	2.9
57.03427	3.4
57.07067	4.9
59.38807	2.2
60.28826	2.6
64.07719	2.4
67.05499	20.5
69.03410	12.7
69.07057	5.7
70.65073	3.0
71.04974	6.2
79.05479	21.5
81.07048	26.1
83.04990	5.3
83.79087	2.4
85.02415	5.4
85.02896	84.5
85.06548	11.1
91.05470	48.2
91.36034	3.1
93.07037	31.5
93.07537	3.6
95.04959	11.7
95.08596	17.6
97.06481	3.7
103.05449	3.4
105.07024	86.7
107.04942	16.7
107.08592	41.3
109.06507	25.7
109.10162	19.5
110.07225	3.2
110.33270	2.4
115.05431	4.2
116.06223	3.1
117.07030	19.5
119.01868	2.9
119.08572	100.0
121.06476	6.0
121.10138	37.1
123.08047	16.2
123.11702	26.6
125.05947	4.2
128.06174	12.8
129.07037	11.0
130.07770	6.6
131.04898	4.7
131.08546	26.3
133.06473	5.7
133.10127	21.7
135.08047	14.8
137.09634	11.5
141.07004	4.1
143.08568	13.4
145.06532	3.4
145.10150	22.2
147.08049	21.5
147.10580	5.0
147.11681	71.7
148.05222	3.6
149.09573	22.1
151.07547	5.2
156.09340	31.2
159.08064	11.7
159.11668	3.4
160.08888	3.6
161.03009	6.1
161.05957	58.5
161.09599	19.3
161.13148	19.3
163.11163	11.9
165.12759	3.6
171.11688	13.4
174.10394	14.5
189.09143	11.5
189.12694	49.0
207.13814	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.8
55.01848	0.9
55.05499	5.2
55.29187	0.8
56.96540	1.4
57.03419	1.9
58.46106	0.8
67.05484	6.1
69.03418	66.7
69.07044	5.2
71.04945	1.1
72.55930	0.9
74.14298	1.0
79.05464	4.0
81.03390	4.3
81.07039	5.6
83.04962	4.4
85.02876	1.0
86.33874	0.9
91.05464	12.1
93.07033	12.0
94.51046	1.1
95.04949	1.3
95.08582	4.9
97.06494	1.8
105.07023	23.8
107.08587	15.3
109.06517	4.5
109.10135	1.5
115.50957	1.1
117.06985	4.0
119.04884	4.2
119.08572	23.5
120.02058	1.4
120.09350	1.1
121.00735	1.7
121.06479	3.7
121.10130	8.6
123.08038	4.6
128.06178	2.2
129.06949	1.6
130.07761	5.9
131.08534	3.9
133.06485	2.3
133.10107	6.4
135.08011	1.5
135.11688	7.7
137.09596	1.2
139.01799	5.4
143.08525	7.2
145.10110	25.4
147.04326	3.4
147.08003	5.1
147.11661	6.5
149.09581	5.3
156.09326	6.0
161.09610	3.9
161.13216	4.5
163.11159	48.8
165.03336	4.0
165.12816	3.8
171.11662	2.2
174.10342	1.4
181.02826	1.3
189.12698	19.0
207.13776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
52.39835	1.9
53.03929	1.9
55.05490	14.4
57.07069	2.4
58.59889	2.0
58.88548	1.9
60.65162	1.9
61.02900	1.8
61.15403	1.7
67.05488	3.4
69.03416	4.6
69.07040	3.8
69.83279	2.1
71.04964	3.6
75.15144	1.7
75.74738	2.1
79.05479	4.3
81.07035	8.5
83.04958	3.2
86.38131	2.2
91.05476	16.6
93.07014	10.2
95.04935	2.2
95.08604	3.3
99.04394	7.3
105.07016	56.8
107.08559	12.9
109.06499	4.0
109.10107	2.6
109.81586	2.0
117.07015	5.2
119.01863	4.1
119.08561	81.3
121.06424	3.6
121.10157	3.7
123.08044	9.5
131.08525	4.4
133.06490	3.0
133.10088	30.7
143.03529	2.6
145.10097	4.5
147.08011	4.6
147.11671	100.0
161.13225	27.5
189.12636	4.9
207.13799	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.65454	2.1
53.03934	2.8
54.07370	1.7
55.05497	12.7
56.96561	2.8
57.03427	19.0
59.04986	4.8
65.03912	3.0
67.05499	13.1
68.80654	2.0
69.03425	4.5
69.07047	8.9
79.05477	13.5
81.07039	13.6
83.04971	4.8
91.05457	39.0
92.08716	4.5
93.07029	27.5
95.04953	4.3
95.08569	8.6
97.06573	2.0
104.93817	2.4
105.07018	100.0
107.04916	4.0
107.08571	33.8
109.06522	12.9
109.10155	17.6
111.45572	1.8
115.05425	3.5
117.07008	13.1
119.08557	72.6
121.06506	3.6
121.10126	68.0
123.08023	10.8
123.11673	16.8
128.06209	4.8
129.07010	13.5
130.07784	3.6
131.08540	34.4
133.06500	4.1
133.10106	55.8
135.08026	4.6
137.09610	3.1
143.08575	12.4
144.09370	12.2
145.10098	10.9
147.04454	2.1
147.08049	7.6
147.11658	23.9
149.09660	15.3
151.09451	2.6
151.11240	2.6
156.09348	9.5
159.11667	69.3
161.05965	18.4
161.09628	9.3
161.13200	25.0
163.11168	11.4
165.12724	14.3
171.11742	2.6
179.08971	4.2
189.12698	82.9
207.08443	3.0
207.13795	76.5
227.19150	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05499	18.3
57.07076	3.3
61.63434	3.0
61.63752	3.0
64.73717	3.3
67.05499	42.6
69.03430	17.0
69.07056	7.2
71.40959	3.0
71.73132	3.1
72.06960	3.0
72.71323	3.2
79.05480	14.9
79.09838	3.0
81.07048	26.4
83.04976	6.3
85.02891	52.5
85.06528	5.0
87.96913	3.6
88.86230	3.4
90.36324	4.1
91.05437	30.0
92.08703	4.0
93.07029	26.3
95.04943	4.1
95.08583	85.9
95.09126	5.8
97.06477	5.8
105.07024	70.7
107.04960	5.3
107.08589	29.6
109.06511	6.8
109.10152	7.0
117.07060	3.6
119.08555	86.4
121.10152	33.4
123.08072	27.2
123.11678	22.3
128.06230	5.4
129.06973	7.2
131.08539	22.2
135.08118	14.0
135.11684	3.7
143.08519	9.1
145.10081	27.8
146.10902	3.6
147.08037	18.7
147.11688	100.0
149.09587	38.2
151.07477	4.2
156.09322	17.5
159.08029	8.3
161.09573	3.9
161.13261	7.7
163.11203	16.0
165.09109	4.2
171.11679	8.4
174.10402	17.2
189.12700	55.7
207.13745	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.91646	1.9
53.67178	1.7
55.01862	2.2
55.05513	18.5
57.03406	2.2
57.07058	2.4
67.05494	13.0
69.03415	17.5
69.07046	11.3
76.15455	2.0
79.05476	12.1
81.07065	15.9
83.04970	4.9
85.02881	4.3
91.05480	29.2
93.07030	19.6
95.04940	3.1
95.08597	19.1
98.97561	13.3
103.05472	3.2
105.06370	2.9
105.07020	62.6
107.08577	37.9
109.06519	12.8
109.10152	8.9
115.05415	3.3
116.98599	4.7
117.07003	9.8
118.06513	4.3
119.01904	12.6
119.06853	15.1
119.08566	100.0
121.06482	4.7
121.10155	17.1
123.08047	14.6
131.06859	9.7
131.08560	12.9
133.10092	19.8
135.08051	23.9
135.11676	13.7
137.02943	3.3
137.09595	3.9
142.94820	2.5
143.01936	8.5
143.08511	2.2
144.17664	2.4
145.10118	9.5
146.10896	3.5
147.06326	3.1
147.08043	12.6
147.11678	95.9
149.09651	9.5
151.07497	4.8
153.09062	4.3
156.09346	5.4
159.08020	8.2
161.02943	22.7
161.05951	17.3
161.07954	3.5
161.09583	9.4
161.13222	44.4
162.03151	2.8
163.11107	3.3
165.12704	10.8
171.06311	4.7
171.11671	2.8
174.10391	16.3
177.00728	4.1
189.07349	4.9
189.09103	5.3
189.12703	38.8
207.08389	3.4
207.13808	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	5.6
54.81936	2.1
55.05497	19.7
57.03404	2.7
64.62514	2.7
66.76624	2.6
67.05490	36.0
69.07057	6.6
79.05481	66.8
81.07032	32.4
83.04965	4.3
91.05466	71.4
93.06486	5.1
93.07028	100.0
95.04951	28.6
95.08592	6.5
98.63580	2.7
104.21084	3.2
105.07017	37.0
106.35596	2.7
107.08559	12.0
109.06503	5.5
109.10102	3.0
115.96405	4.8
117.06990	6.8
119.01865	16.3
119.08566	21.5
119.82152	3.4
120.01955	25.3
123.08046	5.0
125.80672	2.8
129.06956	6.7
133.10103	6.6
138.03056	16.5
142.03488	4.3
143.03642	21.6
143.08466	4.4
145.10103	3.0
147.11668	48.1
160.04614	3.6
161.04633	18.3
161.13370	3.9
171.11629	15.0
190.43965	2.9
199.66490	3.0
207.13765	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
51.58606	2.2
54.82058	2.3
55.05494	10.5
57.03432	25.6
67.05486	15.2
69.07037	3.5
74.48819	2.3
75.44633	2.3
79.05466	9.9
81.07016	16.3
83.04935	3.8
91.05463	37.9
93.07014	31.6
95.04942	3.7
95.08562	10.8
97.09837	2.4
101.21285	2.7
101.30301	2.5
105.07011	100.0
107.08576	35.3
109.06495	5.7
109.10120	13.3
117.06990	17.4
119.08544	70.1
121.10104	79.5
123.08046	5.1
123.11665	20.2
129.06952	5.7
130.07755	10.7
131.08539	29.2
131.10013	2.6
131.45947	2.7
133.10098	54.0
135.08022	2.9
135.11641	2.7
137.09627	3.7
143.08495	10.4
144.09305	13.5
145.10081	4.5
147.08047	5.1
147.11659	24.0
149.09584	5.9
156.09303	4.2
159.11652	67.9
161.13203	31.7
163.11127	11.6
165.12709	14.9
171.11673	2.9
189.12686	85.6
196.95543	2.4
203.06331	2.6
207.13779	83.9
210.27280	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	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.05495	1.5
56.05025	12.3
57.03413	0.9
58.06343	1.1
58.06594	18.0
59.04979	4.4
65.25279	0.9
65.69949	0.9
68.05005	11.0
69.07048	1.9
71.04962	1.7
72.04504	1.7
76.03986	3.6
76.07610	2.1
79.05469	4.0
81.03372	1.2
81.07050	1.2
82.06536	1.3
83.04961	1.0
84.04491	79.1
85.02887	16.7
88.02158	1.1
88.60645	1.0
90.05531	4.5
96.08110	100.0
99.04420	1.0
102.05534	3.3
107.04913	6.9
109.06491	1.7
111.04431	1.1
114.03759	2.1
114.05457	2.2
116.05260	1.3
124.07566	44.1
125.05978	3.5
128.07091	3.9
135.04399	1.2
142.04973	1.1
142.08617	40.1
146.08049	1.5
153.77789	0.9
160.04253	1.6
160.09662	34.1
170.08096	32.6
171.06480	5.0
184.95413	1.2
188.09142	12.0
206.10229	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	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
50.37366	1.3
51.41864	1.2
52.04715	1.1
55.01857	9.3
55.05513	2.3
56.96546	1.7
59.04990	10.6
60.04506	2.2
64.09139	1.3
68.99129	1.5
69.03421	2.7
70.02950	14.0
71.04979	27.1
72.04504	35.0
73.02905	23.6
76.03980	3.2
76.56803	1.8
79.05500	2.3
81.03410	1.9
81.07027	2.2
84.04494	10.1
84.08138	1.6
85.02882	2.8
85.06522	3.1
87.79649	1.2
88.02213	2.3
89.06029	17.0
90.05541	100.0
98.02406	24.2
98.06030	2.0
98.09661	9.0
98.97546	1.7
99.04442	21.6
100.03980	15.4
107.04926	8.5
110.06017	11.4
111.04468	1.7
116.03449	15.8
116.05334	2.3
116.07060	3.4
119.01945	1.7
123.96396	6.0
125.05948	3.4
128.07066	72.8
140.07074	1.7
142.03436	1.5
144.10207	10.4
146.08115	12.7
160.09650	10.6
170.08098	25.9
171.06483	2.1
182.03270	2.0
188.07466	2.9
188.09152	79.5
191.14272	1.9
206.10193	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	207.1017
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
50.20710	0.6
51.02359	0.6
53.00309	0.6
53.03944	5.3
55.01862	3.4
55.05500	3.8
56.96556	0.6
57.03405	0.7
57.07064	2.3
65.03943	2.3
67.05493	13.2
69.03429	0.8
69.07053	1.2
71.04980	17.6
77.03910	0.6
79.05475	28.1
79.41422	0.5
80.94958	0.5
81.03407	2.9
81.07039	1.2
83.04983	1.0
85.06538	0.7
91.05461	20.9
93.07035	4.5
95.04958	13.8
95.08614	0.6
98.97573	2.8
99.04417	1.0
103.05450	0.6
105.03360	0.6
105.04517	2.8
105.07019	12.3
107.04943	100.0
109.02869	3.8
109.06522	0.7
111.08096	0.7
115.05434	1.4
115.96441	0.9
116.98578	1.1
117.06998	10.0
119.01875	0.8
119.04892	0.9
119.08559	9.3
120.02002	1.4
121.02813	0.6
121.05687	0.6
121.06481	3.4
123.08075	1.0
128.06181	5.3
129.07021	1.2
133.06480	3.6
133.10112	4.0
143.03593	1.0
143.08565	3.7
145.06468	6.3
147.04390	0.9
147.08049	3.7
147.11661	1.0
153.06992	0.9
161.09583	7.2
171.08054	3.6
189.09132	2.8
207.10173	0.8
207.13707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Indolelactate
Peak:m/z	Relative Intensity
50.93439	0.5
62.39733	0.5
71.53860	0.5
74.95286	0.6
91.05459	2.6
103.05484	1.1
105.06991	0.6
112.93647	0.5
115.05453	7.0
116.05328	0.8
117.05717	5.0
117.07002	2.3
118.06522	100.0
119.01887	3.5
121.33913	0.5
130.06506	71.2
131.07298	8.0
132.08069	23.0
134.39804	0.7
136.46858	0.5
137.02946	0.9
142.03500	2.7
142.06497	11.2
143.07289	5.9
144.08069	13.7
146.05991	38.7
150.02699	0.5
160.07556	31.9
170.05978	31.3
173.65710	0.6
188.07039	32.1
206.08084	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	205.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37690	0.3
74.02420	2.3
91.05458	2.1
115.05449	3.8
117.05741	1.7
117.06970	3.1
118.06519	56.3
130.06494	3.6
132.08075	13.5
142.06505	5.6
143.07292	7.5
144.04439	0.6
144.08067	24.2
145.06517	0.5
146.05989	100.0
155.05959	0.8
159.09146	8.8
160.07568	2.0
163.01759	0.7
170.05971	9.9
181.02910	0.8
188.07037	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.40912	0.4
53.27848	0.4
62.18228	0.3
74.02405	1.6
83.84207	0.4
91.05457	1.9
111.91338	0.4
115.05433	3.7
117.05746	1.5
117.06982	4.1
118.06519	57.3
130.06535	4.1
130.07393	0.4
132.08073	13.8
139.71410	0.4
142.06509	5.6
143.07281	7.6
144.04462	0.6
144.08076	24.0
145.06468	0.6
146.05991	100.0
149.02304	0.4
155.06075	0.6
159.09166	9.9
160.07573	2.0
163.01752	0.6
170.05959	9.1
176.67705	0.4
181.02748	0.9
185.19966	0.4
188.07036	57.7
205.09653	0.7
208.43391	0.5
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	Xanthurenic acid
Peak:m/z	Relative Intensity
54.82052	0.2
61.86019	0.3
62.51659	0.2
73.37686	0.3
73.49018	0.2
81.10254	0.2
85.67391	0.2
85.84319	0.2
86.61350	0.2
88.02239	0.2
101.35111	0.2
104.04969	0.5
106.24905	0.2
108.94141	0.2
119.01932	0.4
123.96423	0.3
129.19254	0.3
132.04430	28.6
156.78394	0.3
178.04967	100.0
179.05383	0.3
206.04460	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	100.0
59.98811	0.8
59.99101	11.6
61.38607	0.6
64.34091	0.8
72.25610	0.7
77.94113	0.7
86.06060	7.9
116.05296	4.5
118.07415	0.7
118.96751	14.2
133.99106	0.9
134.99626	1.0
136.95490	0.7
138.28603	0.6
140.12749	0.7
145.04303	1.3
154.96465	5.8
177.98039	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	201.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05510	21.2
56.96560	11.4
57.07071	2.7
58.89622	1.8
59.04982	2.7
59.64878	1.6
59.93095	11.4
60.46728	1.6
60.68465	1.7
62.21995	1.9
67.05496	67.9
69.03432	2.6
69.07069	5.2
71.04975	26.5
74.53245	1.9
77.94131	3.1
79.05482	14.0
81.07042	100.0
83.08598	4.9
85.06538	9.2
91.05466	25.9
91.09362	2.0
92.09334	5.1
93.07032	7.9
95.08609	4.9
95.95200	4.0
98.97567	28.2
99.97909	13.9
105.07030	24.0
107.08584	10.0
109.06505	2.7
109.10152	23.7
114.05541	3.3
116.98599	26.7
117.06982	2.8
117.98969	13.2
118.96744	76.4
118.98130	2.8
119.01900	8.7
123.11646	8.1
133.10130	20.2
133.57358	2.1
133.99100	12.9
134.99664	26.4
136.00017	14.7
137.00087	2.9
137.02911	3.0
141.98299	2.4
142.03488	8.5
145.10159	3.8
150.95740	3.6
151.11188	9.8
153.00684	4.5
154.59093	2.7
154.96463	22.2
160.04529	18.6
172.97464	3.9
177.98027	32.2
178.05669	8.7
187.13252	4.0
210.74947	2.2
214.17091	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	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57655	2.3
68.17699	2.6
71.72327	2.5
72.83504	2.4
115.54713	2.5
129.82538	3.7
144.69269	2.9
168.70218	2.6
203.05240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62027	0.8
55.01871	1.0
55.05503	14.0
55.93521	1.0
56.96562	2.1
57.07075	4.1
67.05485	1.5
72.08138	100.0
74.09704	10.3
74.97638	0.8
79.05444	1.2
81.03397	1.0
81.07037	1.7
83.11616	1.0
84.04491	19.8
85.02889	2.1
91.05482	2.1
95.08569	1.6
98.97552	1.4
100.02479	1.9
101.00879	4.4
102.96863	5.7
104.07094	5.6
105.06992	4.2
116.98592	1.5
118.03487	1.9
119.01897	35.8
119.08569	1.9
120.01955	7.1
120.96479	10.9
120.97880	5.0
121.96621	2.1
128.95158	1.3
130.04936	7.1
131.01639	1.1
133.10199	1.1
137.02936	9.1
138.03056	5.5
138.98906	4.4
139.01797	1.6
143.01898	9.8
143.03650	1.4
146.96072	1.2
147.11708	1.5
148.97679	4.0
156.96271	2.1
157.00000	1.3
157.13258	1.3
161.02928	22.6
163.01736	1.2
179.03998	1.0
179.97824	4.2
180.04128	2.2
181.02846	1.8
186.11220	10.0
203.05223	6.0
203.11014	1.1
203.13898	2.4
203.17921	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	203.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96124	0.7
55.05513	0.9
55.93517	1.4
56.96569	1.5
57.76327	0.8
63.56130	0.7
67.05485	1.1
69.07037	1.4
72.93768	1.1
81.07050	1.6
86.09696	100.0
92.98477	0.8
93.07011	1.5
95.08636	1.1
97.02816	0.9
98.97545	1.5
100.02450	3.7
102.96874	3.8
103.90800	0.9
105.07011	4.1
118.03490	1.9
119.01907	9.9
119.08562	3.3
120.01993	5.5
120.96511	10.5
120.97900	3.1
121.06456	1.0
121.96611	1.0
131.01596	1.9
134.99672	1.1
137.02975	4.2
137.99216	1.1
138.03053	5.5
138.98926	4.2
143.03564	1.4
146.96147	1.0
147.04343	1.0
147.11650	1.9
148.97723	3.8
156.96307	0.9
161.09602	1.0
179.97760	6.3
180.04160	1.6
181.02892	1.7
203.05254	5.2
203.17905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67533	0.6
55.01875	6.6
55.05511	5.1
57.03436	10.9
57.07059	1.1
61.02923	7.9
61.56873	0.7
69.03069	1.1
69.03423	23.0
69.07032	3.2
71.04969	1.5
71.08636	0.9
73.02908	6.7
77.89606	0.6
81.03406	3.4
81.07037	0.9
83.08595	4.2
85.02898	100.0
87.04428	0.8
88.62855	0.7
91.03953	1.3
91.14941	0.7
93.07042	1.2
95.06070	0.8
96.08117	0.7
97.02881	16.2
97.10152	1.0
99.04446	8.0
101.02370	4.1
102.95496	0.7
103.03897	1.7
109.02886	1.4
115.03897	1.5
120.84594	0.7
124.07513	0.9
127.02962	1.5
127.03903	40.9
133.07834	0.6
134.05994	5.3
145.04950	29.7
152.07036	5.9
162.05579	0.8
163.05978	9.1
180.06532	5.1
180.08612	1.7
181.02611	1.4
198.07607	1.0
198.18518	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87065	0.3
55.66519	0.3
56.28211	0.3
85.14629	0.3
98.97556	2.0
101.00876	0.4
116.97222	0.4
116.98576	1.7
119.01913	3.4
131.99487	0.3
134.99634	1.5
137.02925	1.8
138.96359	2.5
156.97455	58.6
157.97519	1.5
164.96341	1.7
167.07202	0.3
172.95184	0.4
173.96864	1.7
174.98505	100.0
175.98615	1.4
176.98868	0.4
179.99031	0.6
180.99197	0.5
198.00102	0.6
198.18503	1.7
198.87598	0.5
198.98515	6.7
199.00183	1.2
199.19000	0.6
216.99553	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	198.0761
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
53.03923	0.5
55.01861	4.6
55.05507	7.0
56.96549	1.0
57.03426	6.0
57.07063	5.4
61.02897	3.5
61.44567	0.6
62.48077	0.6
67.05495	0.9
69.03074	0.8
69.03416	14.6
69.07051	7.4
70.95862	0.9
71.04979	1.2
72.04486	0.8
72.16835	0.6
72.65691	0.6
73.02879	3.9
79.05448	1.5
81.03387	1.5
81.07023	1.4
83.04956	0.8
83.08615	6.0
85.02890	53.5
91.03951	0.9
96.08080	1.4
97.02881	13.3
97.06511	0.9
97.10130	3.1
98.97546	0.7
99.04425	4.9
100.07565	0.9
101.02341	2.4
103.03938	2.3
107.08586	1.3
109.02834	1.3
115.03905	1.3
116.97200	2.2
124.07588	5.1
127.03888	20.9
134.05994	71.0
136.07542	3.3
139.03879	0.7
145.04951	14.5
150.96884	2.6
151.97063	1.3
152.07048	77.7
152.96948	1.1
156.17584	0.8
156.97667	1.1
159.68936	0.7
162.05470	27.0
163.05965	4.5
174.98747	0.9
180.06525	73.4
181.02589	5.0
193.00255	0.7
198.07593	33.9
198.18498	100.0
219.71086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01870	3.3
55.05263	0.5
55.05508	8.6
56.96566	3.5
57.03431	4.7
57.06824	0.3
57.07074	5.4
60.04532	0.3
61.02919	3.7
67.05484	1.4
69.03080	0.5
69.03425	11.6
69.07060	6.1
70.06586	0.3
70.95844	1.3
71.01347	0.5
71.04972	1.8
71.08610	0.7
72.04510	0.4
72.08143	0.6
72.48423	0.3
72.93775	0.6
73.02895	3.5
79.05457	1.2
81.03394	1.8
81.07027	0.8
83.05001	1.1
83.08608	6.6
85.02895	45.3
86.06043	1.4
87.04434	0.3
91.03917	0.8
93.07004	1.6
95.08570	2.1
96.08125	0.5
97.02878	9.4
97.06503	0.4
97.10156	3.8
98.97574	0.5
98.98431	0.4
99.04439	3.2
100.07604	1.3
100.59370	0.3
101.02361	2.1
103.03941	0.7
107.08584	0.6
109.02863	1.9
110.97562	0.5
111.08041	0.4
114.09048	0.3
115.03885	0.7
116.97201	1.7
121.10084	0.6
124.07542	1.6
124.11150	0.5
125.09524	0.4
127.03899	16.7
128.98557	2.3
132.95792	2.1
133.96138	0.5
134.05997	14.4
134.95912	0.3
136.07541	0.6
137.08365	0.6
138.05431	0.6
145.04947	14.5
146.99631	2.1
147.06815	0.4
150.96835	3.0
151.97095	1.8
152.07051	19.5
152.96904	0.4
156.97760	0.5
162.05504	6.7
162.09148	0.4
163.05977	4.4
174.99106	3.7
175.98526	0.6
180.06538	15.0
180.08559	1.1
180.10023	3.3
181.02611	4.3
193.00185	6.1
198.07613	6.8
198.11317	5.3
198.18513	100.0
211.01277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01843	2.6
55.05504	25.8
56.96556	11.3
57.03427	5.2
57.07066	2.6
59.30008	2.0
67.05497	71.5
68.96309	4.8
69.07056	20.6
71.04978	4.6
71.95234	2.8
79.05475	56.1
80.58694	2.2
81.03409	39.3
81.07040	100.0
83.04960	22.4
83.08616	5.0
90.76509	2.4
91.05448	31.8
93.07031	71.5
95.04943	10.5
95.08597	25.9
97.06507	10.2
105.07028	18.2
107.08587	22.3
109.02863	5.9
109.06489	3.4
109.10140	3.2
111.08033	3.4
117.07031	8.1
121.06456	8.7
121.10104	5.5
130.96245	5.7
131.08580	12.9
131.96141	4.6
133.02812	5.8
133.10115	16.1
135.04364	2.6
135.08011	4.2
135.11641	10.2
148.97325	12.5
149.13199	15.4
149.97169	12.7
159.11705	5.5
163.03864	49.2
171.81827	2.5
171.98892	6.0
177.12770	3.5
195.13797	18.3
195.15401	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.20546	0.4
55.01865	1.9
65.03918	1.1
67.05486	1.9
70.95857	6.4
72.93769	2.9
73.02907	14.5
88.96885	0.9
91.05470	2.8
93.03374	0.8
95.04947	1.8
97.08147	0.4
105.87267	0.4
108.02075	2.3
110.03645	2.8
111.04404	2.2
111.98445	4.2
112.42168	0.4
119.04923	2.0
125.05968	9.9
129.99503	2.1
132.95811	10.9
137.05965	0.7
141.05447	4.9
149.05945	2.3
150.96875	17.5
151.03897	100.0
151.05009	11.2
151.07495	2.3
153.91597	0.5
155.97418	3.6
173.98462	6.3
179.07013	13.3
179.08461	0.7
197.08093	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01858	1.0
55.05491	4.9
55.72114	0.6
57.07049	0.9
59.04987	3.1
65.03901	0.9
67.05485	5.3
69.07030	1.5
70.95847	9.8
71.35387	0.8
72.93768	6.0
79.05475	7.2
81.07034	9.2
83.92030	0.8
85.06525	1.0
88.96861	1.3
90.94818	1.3
91.05457	24.3
92.63964	0.8
93.07024	28.9
95.04961	8.8
95.08579	4.2
105.04474	0.9
105.07017	43.6
107.04941	1.4
107.08577	86.2
109.06501	8.1
109.10137	8.1
111.98451	8.2
114.36816	0.7
115.05322	0.7
119.04910	3.7
119.08572	12.5
121.06461	4.4
123.04392	5.6
123.07999	1.3
123.11675	4.7
124.00522	0.9
129.99471	3.0
131.08534	3.5
132.95811	18.2
133.10107	92.4
135.08025	3.8
135.11664	48.2
137.05945	3.0
137.09561	6.4
143.08597	0.9
146.07249	2.9
150.96864	26.4
151.11148	5.4
155.97377	5.3
161.09586	36.5
167.32452	0.7
169.30641	0.7
173.98463	12.3
179.10632	100.0
197.11696	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	5.5
55.01843	2.6
55.05504	25.8
56.96556	11.3
57.03427	5.2
57.07066	2.6
59.30008	2.0
67.05497	71.5
68.96309	4.8
69.07056	20.6
71.04978	4.6
71.95234	2.8
79.05475	56.1
80.58694	2.2
81.03409	39.3
81.07040	100.0
83.04960	22.4
83.08616	5.0
90.76509	2.4
91.05448	31.8
93.07031	71.5
95.04943	10.5
95.08597	25.9
97.06507	10.2
105.07028	18.2
107.08587	22.3
109.02863	5.9
109.06489	3.4
109.10140	3.2
111.08033	3.4
117.07031	8.1
121.06456	8.7
121.10104	5.5
130.96245	5.7
131.08580	12.9
131.96141	4.6
133.02812	5.8
133.10115	16.1
135.04364	2.6
135.08011	4.2
135.11641	10.2
148.97325	12.5
149.13199	15.4
149.97169	12.7
159.11705	5.5
163.03864	49.2
171.81827	2.5
171.98892	6.0
177.12770	3.5
195.13797	18.3
195.15401	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.70528	0.5
51.63129	0.5
53.03930	0.9
55.05505	0.7
56.96547	0.5
60.27612	0.5
63.02362	0.6
65.03919	0.8
65.05968	0.5
67.05497	0.8
68.96317	2.7
69.03407	0.8
70.94227	0.9
71.04969	0.8
73.20860	0.5
77.38344	0.6
78.04688	2.3
79.05491	1.2
81.03393	7.3
81.07048	0.7
83.01324	0.7
84.50809	0.6
89.03894	35.4
91.05455	5.9
93.03381	1.4
93.07014	1.2
95.04944	0.9
97.02895	0.7
98.97588	2.3
103.05431	1.0
105.03396	0.7
105.07013	3.5
106.04171	1.3
107.04942	0.7
109.02858	3.0
109.98940	1.2
111.04410	3.4
116.98593	1.3
117.03359	71.6
119.04945	0.8
121.06477	4.1
125.05981	2.4
130.96280	4.0
133.10097	1.2
134.03619	14.3
134.99632	0.6
135.04405	10.9
139.07532	1.1
145.02829	100.0
146.03087	0.6
148.97342	8.4
149.01247	0.6
149.04741	1.1
149.05959	32.0
149.09570	0.7
153.05444	2.7
153.97879	1.0
156.78812	0.6
162.03061	3.0
163.03844	12.4
166.98534	0.6
171.98935	4.7
177.05432	84.1
186.05588	0.8
195.13812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.45310	0.5
53.03938	1.1
55.05491	0.8
63.21434	0.5
65.03922	1.0
67.05477	0.7
68.96318	2.6
69.03410	2.6
70.44775	0.6
71.04980	0.8
78.04684	0.9
79.05486	1.4
81.03393	12.2
81.07056	0.9
82.99037	0.7
87.94353	0.6
89.03898	38.3
91.05463	6.3
92.09304	1.2
93.03377	2.3
93.07005	1.0
95.04974	1.0
98.97574	3.2
103.05421	1.2
105.03365	0.8
105.07023	2.5
106.04166	3.1
109.02870	4.4
109.98922	1.2
111.04413	2.2
115.57154	0.6
116.98606	1.3
117.03360	77.7
119.04861	0.6
121.06496	4.1
125.05953	3.7
127.99969	1.1
130.96303	3.9
133.10162	1.1
134.03621	12.1
135.04408	12.7
145.02829	100.0
148.97331	9.1
149.05959	31.0
151.07486	0.7
153.05394	4.7
153.97873	1.4
162.03142	3.9
163.03889	13.1
166.98329	0.9
171.98976	4.0
176.10216	0.6
177.05429	88.1
195.06619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.62046	0.9
53.00293	4.7
53.03934	9.4
53.49316	0.9
55.01857	4.3
55.05505	38.2
56.96552	0.8
57.03431	10.6
57.07064	1.9
58.82051	0.8
61.73264	0.8
61.89508	0.9
65.03925	1.9
67.05143	1.4
67.05491	32.8
68.96308	1.6
69.03405	7.3
69.07056	49.0
71.04974	17.5
79.05476	83.1
81.03412	9.7
81.07037	71.0
83.04955	5.4
83.08604	9.1
86.97330	1.0
91.04884	1.8
91.05460	58.5
93.07025	100.0
95.04944	19.6
95.08585	27.2
96.88300	0.9
97.06485	1.6
103.05393	1.5
104.70866	1.0
105.04521	1.5
105.07017	28.1
107.04943	11.5
107.08572	57.5
109.02870	2.3
109.06490	18.8
109.46294	0.9
115.05411	6.7
117.06992	26.8
119.06049	1.7
119.08569	20.9
121.06482	20.0
121.10134	11.2
122.07269	1.4
123.08033	6.3
127.99964	1.0
129.06978	11.4
130.07748	6.7
130.96306	2.1
131.08542	30.7
133.02814	5.7
133.06445	2.2
133.10077	7.3
135.04388	6.1
135.08040	8.6
135.11646	6.9
144.09314	8.1
147.08055	1.1
148.97342	6.4
149.13188	9.2
157.10126	1.1
157.83333	1.0
159.11652	15.9
163.03867	45.7
171.98987	1.5
177.12730	9.6
195.15663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0811
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
52.51860	0.4
54.81462	0.5
55.05493	0.8
56.96542	2.5
60.39514	0.5
62.26696	0.4
63.36050	0.5
67.05486	2.7
69.03410	2.1
79.05486	1.0
79.88189	0.6
81.03404	1.3
85.06518	0.9
93.07016	1.0
94.06538	3.1
95.04930	0.6
96.08100	0.7
98.01246	0.7
98.97536	2.6
102.10101	0.6
103.05402	0.9
107.01795	0.7
110.06024	0.7
110.09690	0.5
113.05932	0.7
116.98604	1.0
120.08081	3.7
121.06470	0.5
122.06003	6.0
123.06792	6.3
130.06506	0.9
131.04875	1.2
133.05194	5.2
134.05984	2.8
136.07541	1.1
137.08334	13.1
138.05490	7.0
138.09090	2.8
147.06773	3.0
148.07550	37.2
149.05930	0.9
150.05481	23.3
152.07039	0.9
163.06223	0.8
164.07016	2.6
166.08606	36.9
176.07028	34.0
194.08102	100.0
194.15317	1.2
211.79877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
65.03918	4.8
67.05497	1.1
69.07044	4.7
73.02901	0.9
73.06532	1.2
79.05462	2.2
80.04996	17.2
81.03389	1.3
82.06565	4.4
92.04971	13.6
93.05764	20.6
94.06550	18.1
96.04464	1.8
106.06542	1.9
110.06027	20.8
120.04446	6.8
134.18297	0.9
138.05478	100.0
145.10669	1.2
148.11215	1.4
149.05913	4.3
162.05487	4.8
163.03893	2.2
166.08578	1.3
166.12230	2.0
194.11728	22.5
194.15396	8.6
197.48553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
53.03930	3.1
55.05486	2.0
57.03416	1.7
59.04996	1.5
67.05481	1.8
69.07059	16.0
73.06539	9.1
79.05453	1.4
80.05000	100.0
82.06570	2.9
86.32368	1.3
87.04477	1.6
92.05000	7.3
93.05758	10.7
93.07015	1.9
94.06550	8.0
95.04913	1.4
95.08589	2.0
102.23665	1.3
110.06039	13.5
120.04436	3.4
120.08055	1.9
121.06470	1.7
133.06456	2.4
138.05484	60.5
148.11241	2.2
148.97362	2.3
149.05969	6.3
163.03891	3.2
166.12238	16.6
194.11746	69.7
194.15353	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05304	1.5
55.05510	25.0
57.07057	12.7
59.04974	2.6
64.34056	2.1
67.05496	37.8
69.03436	3.6
69.07056	19.9
69.41441	2.2
76.77568	1.9
79.05476	12.0
81.07035	35.2
83.04968	4.6
83.08607	4.5
85.06532	17.9
91.05445	15.4
93.07021	34.2
95.04948	3.0
95.08576	51.8
99.08070	100.0
105.06998	28.7
107.08585	55.2
109.06470	3.5
109.10146	91.5
111.08065	3.3
117.07009	3.3
119.08560	61.5
121.10102	23.8
123.08006	19.9
123.11694	9.5
125.09575	2.9
132.42432	1.9
133.10106	81.0
135.11671	74.1
137.09601	28.9
149.13278	4.7
151.11127	3.1
175.14783	48.2
193.15849	66.9
193.17551	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.16238	1.8
55.05501	12.3
57.07062	2.7
59.04991	2.2
59.57726	1.6
61.22430	1.7
67.05506	14.9
69.07060	34.4
69.20982	1.9
71.04973	15.7
74.62042	1.9
79.05473	3.9
81.07050	16.4
83.04940	1.9
85.06545	8.4
91.05470	3.0
93.07025	24.8
95.04972	36.7
95.08597	18.7
97.10159	4.8
99.08083	2.9
105.07027	11.3
107.08595	28.9
109.06506	100.0
109.10156	15.8
111.08054	3.4
119.08571	26.9
121.10126	4.4
123.08067	4.7
123.11694	12.4
133.10092	16.8
135.11649	21.3
137.09636	9.0
139.22655	1.9
147.11659	2.9
149.13226	9.6
151.11183	3.0
175.14742	27.3
193.15858	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	22.1
59.84157	12.0
60.54799	16.9
68.21722	13.1
69.03406	24.7
70.06570	84.6
70.41898	12.4
71.01331	25.3
84.08117	17.1
84.57467	12.5
85.02895	24.9
87.04404	20.2
88.07605	55.4
89.60201	13.2
97.02861	19.6
98.09666	25.6
99.10009	30.9
111.04412	26.1
114.05488	15.6
120.57469	13.3
132.10144	27.6
136.06146	79.9
145.03433	24.8
149.05966	23.6
157.14177	15.7
174.14789	15.1
175.15170	72.2
193.16243	28.5
194.06660	100.0
194.15279	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38982	1.4
54.61676	1.2
55.05512	10.5
57.07059	6.7
59.04979	1.7
67.05492	20.9
69.03405	2.0
69.07059	15.7
69.87052	1.4
79.05494	3.5
81.07037	15.9
83.04967	1.6
83.08633	2.2
91.05456	16.5
93.07026	16.9
94.73251	1.4
95.04945	5.5
95.08587	46.1
99.08066	1.9
105.07019	28.8
107.08574	17.7
109.06483	1.9
109.10141	43.3
117.06996	2.2
119.08558	95.1
121.10146	7.2
123.11690	1.9
131.08539	3.1
133.10104	100.0
134.10910	1.5
135.11655	21.7
137.09616	12.2
145.10123	8.5
147.11670	25.0
149.13300	6.5
151.14819	6.3
160.12450	3.4
165.23862	1.6
175.14792	98.3
193.04980	1.7
193.15852	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38485	0.5
52.63765	0.5
53.75243	0.5
55.05499	3.0
57.07056	0.5
67.05489	2.7
69.03407	0.6
69.07056	4.7
69.75249	0.5
71.04977	3.9
79.05466	3.2
80.72980	0.5
81.07040	8.4
83.04977	3.9
83.08589	0.6
83.28664	0.5
91.05472	6.9
93.07018	12.6
95.04942	2.6
95.08582	9.4
97.06492	0.9
99.08047	0.8
105.07009	9.3
107.08575	22.5
109.06505	0.8
109.10110	5.0
111.04411	1.4
112.75256	0.7
113.09630	0.7
119.08562	22.8
119.09386	1.2
121.10141	1.0
123.11665	4.4
129.05455	0.8
131.08530	1.2
133.10109	100.0
135.11668	35.2
137.09599	0.8
145.10071	1.1
146.34566	0.7
147.11670	4.3
160.12445	0.6
175.14796	28.9
193.15805	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05520	3.1
55.05721	0.4
57.07059	1.9
65.66982	0.3
67.05490	3.6
69.07056	3.8
71.04975	4.1
79.05469	4.6
79.81042	0.4
81.07045	9.4
83.04967	0.5
83.08591	0.5
85.06509	0.7
91.05468	7.6
92.64042	0.4
93.07034	13.8
95.04941	2.3
95.08591	11.1
99.08041	1.4
100.75963	0.4
105.07029	13.4
107.08584	26.7
109.06509	1.8
109.10153	5.7
111.04407	0.7
113.09641	0.6
117.07024	0.6
119.08569	24.4
121.10122	2.1
123.08022	0.5
123.11678	4.9
131.08554	1.0
133.10117	100.0
135.11679	36.8
137.09656	1.3
141.68176	0.4
145.10106	1.5
147.11682	5.7
149.09557	0.4
154.55698	0.4
160.12463	0.8
161.53680	0.4
175.11226	0.8
175.14804	29.8
193.12270	0.5
193.15866	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.66395	1.0
53.03944	1.1
55.01879	1.5
55.05494	7.8
57.07061	5.3
59.04961	4.8
63.34741	1.1
65.03901	1.2
67.05491	23.1
69.03408	6.8
69.07068	11.5
71.99364	1.3
79.05468	7.5
81.07030	15.6
83.04967	2.8
83.08600	4.7
85.02886	2.9
85.06530	2.0
91.05450	21.5
92.71390	1.2
93.03384	1.4
93.07018	18.2
95.04929	7.4
95.08586	34.8
98.97556	1.6
99.08063	4.9
105.07014	31.5
107.08569	16.3
109.06515	1.6
109.10144	39.8
109.60101	1.5
111.04408	5.4
117.06965	5.0
119.08562	85.2
121.10108	7.2
123.08064	2.3
123.11691	2.3
129.05496	1.4
131.08508	2.7
133.10107	100.0
134.10832	1.8
135.11671	17.5
137.09607	11.0
139.03975	1.6
145.10083	5.4
147.11664	21.7
149.02347	2.1
149.13228	7.6
151.14796	6.1
160.12459	5.3
172.70947	1.4
175.14795	100.0
179.03404	1.5
193.12154	1.6
193.15839	18.8
209.72601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.74244	1.4
55.05494	10.6
57.03397	2.0
57.07059	8.7
59.04980	3.4
67.05188	1.8
67.05495	27.8
68.64218	1.4
69.03408	7.3
69.07054	20.1
69.81052	1.7
79.05473	11.4
80.16541	1.7
81.07029	20.0
83.04937	8.5
83.08585	3.0
85.06524	4.3
91.05455	24.8
93.07025	20.4
95.04928	11.6
95.08592	47.1
98.69492	1.8
99.08083	30.8
105.07011	31.8
107.08562	20.6
109.06450	3.8
109.10147	54.1
111.04425	7.6
111.08052	2.2
117.07011	2.8
119.08566	92.0
121.10117	12.8
123.08076	2.0
123.11682	3.7
129.05467	6.9
129.06970	2.8
131.08516	3.8
133.10107	100.0
135.11652	26.1
137.09586	16.9
145.10135	7.0
147.11661	23.1
149.13177	2.6
151.14792	3.2
156.03133	1.9
175.14789	99.2
193.12215	2.7
193.15863	30.8
197.68906	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03934	5.3
55.01859	2.0
55.05509	13.7
57.03421	1.3
59.04982	1.9
65.03916	1.1
67.05498	8.0
69.07052	3.7
71.04969	4.6
73.69131	0.8
75.62907	0.8
77.03911	0.9
79.05475	21.3
81.07040	7.6
83.04971	1.5
85.35425	1.0
87.04456	1.6
91.05462	91.2
93.07023	45.0
95.04958	10.9
103.05444	0.9
103.94584	0.9
105.04494	1.6
105.07013	100.0
107.08588	7.4
109.06502	2.1
113.07581	0.8
115.05418	1.0
116.06223	1.2
117.07004	5.0
118.07774	0.8
119.08557	66.2
126.31016	0.8
128.06189	1.6
129.06984	24.1
131.08534	19.1
133.06512	1.1
133.10103	84.8
137.11229	0.8
142.07765	7.0
145.10045	1.0
147.08006	1.9
147.11674	22.7
157.10065	9.0
175.11140	25.2
181.80313	0.9
193.12190	10.9
199.94077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03933	3.2
53.58789	0.7
54.71056	0.6
55.05495	5.6
57.03432	100.0
67.05499	8.8
75.04463	4.8
79.02435	0.7
79.05473	8.3
81.07033	4.7
83.04972	1.4
85.06522	5.4
91.05467	52.7
93.07032	33.2
95.04950	15.5
95.08586	1.1
103.05489	1.4
105.04454	1.2
105.07016	20.1
107.04922	4.2
109.06475	1.3
109.10155	4.3
115.05386	1.6
117.07002	9.4
119.08569	50.8
121.06484	24.8
129.06976	3.5
131.04924	1.2
132.05684	1.4
133.06462	6.3
133.10077	7.0
133.71576	0.8
135.08003	1.4
137.09604	6.3
142.07751	4.5
145.06458	3.7
146.07242	8.8
147.08037	25.0
147.11659	12.3
149.52321	0.9
157.10071	2.0
160.08803	1.8
175.11145	13.8
178.66711	0.9
193.12172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0706
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.00311	1.4
53.03935	7.6
55.01866	12.0
55.02081	1.2
55.05502	18.9
56.05027	2.5
56.96547	2.1
57.03428	13.8
59.04984	7.6
61.02903	9.0
65.03928	17.1
67.05493	27.7
68.99778	12.2
69.03416	78.2
69.07043	1.5
70.06576	1.6
71.01325	5.8
71.04966	3.0
72.78617	1.2
73.02898	15.1
73.64543	1.3
81.03400	10.7
81.07064	1.3
83.04962	92.0
85.02883	42.4
87.00813	7.9
87.04462	10.0
91.05453	2.0
93.03374	23.8
93.07013	2.4
95.04948	76.3
97.02859	29.2
98.09658	9.3
99.04414	2.5
99.10011	1.7
101.02348	2.7
101.06038	1.9
103.03925	1.4
105.04514	1.6
111.00780	6.4
111.04424	100.0
115.03913	13.3
116.10717	2.2
121.02859	6.9
122.34966	1.5
129.01837	9.4
129.05449	48.2
136.06151	5.8
139.00282	3.4
139.03877	31.6
146.05875	1.9
147.06445	27.7
150.96889	1.4
156.13831	1.7
157.01314	3.3
157.04921	12.6
157.13986	1.4
170.41696	1.4
170.56923	1.4
174.14827	2.8
175.15143	3.1
192.15897	6.1
193.04915	5.6
193.06924	3.0
193.16246	2.3
205.42889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03950	6.2
55.01866	1.5
55.05503	9.6
56.96565	0.6
57.03426	1.7
57.07068	0.7
59.04991	1.1
65.03925	2.6
67.05494	30.0
69.03427	1.0
69.07050	6.8
71.04974	12.6
76.97282	0.7
77.03906	1.0
79.05477	58.1
81.03409	4.6
81.06596	1.4
81.07040	21.6
83.04968	7.0
83.08605	1.4
85.02901	0.8
85.06516	2.9
91.05465	100.0
93.07025	94.3
95.04951	29.0
95.08575	4.3
103.05434	1.0
105.04491	4.0
105.07018	36.4
107.04947	1.5
107.08596	4.3
108.23152	0.8
109.06521	4.8
111.04425	1.7
113.05980	2.4
115.05446	1.1
117.07027	1.0
119.08566	13.1
121.10047	1.0
123.08041	0.9
127.07563	1.1
128.06248	0.8
129.05482	1.1
129.06978	16.2
131.08553	20.1
133.06461	0.8
133.10110	58.1
142.07724	4.1
147.08029	3.6
147.11647	11.5
148.33861	0.7
149.09612	1.5
157.10104	18.2
165.12775	0.9
175.11145	11.2
193.12193	15.1
193.15903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03945	1.8
54.81642	1.6
55.01859	2.3
55.05499	10.2
56.01397	1.5
56.96556	3.1
57.07055	2.9
65.03932	1.5
67.05495	43.4
69.03410	2.8
69.07050	13.5
71.04980	77.4
71.09771	1.4
79.05478	28.3
81.07042	21.8
83.04961	3.3
83.08595	1.7
85.06528	23.7
91.05469	40.6
93.07030	35.1
95.04939	17.8
95.08576	17.2
97.06503	17.0
105.07017	87.9
107.04967	1.9
107.08582	100.0
109.06503	66.2
109.10146	85.1
111.08054	2.3
114.37046	1.7
115.05424	3.6
116.06203	2.0
116.54287	1.8
116.98618	1.8
117.06988	11.0
119.08557	27.1
121.06483	10.6
121.10126	92.5
123.08056	59.3
129.06979	6.6
131.08545	63.6
133.06506	2.2
133.10103	50.9
133.11664	1.8
135.07060	2.7
135.08037	52.4
135.99217	1.6
137.09592	2.4
143.08522	10.5
144.09406	2.8
145.10110	14.8
147.08038	2.3
147.11661	20.0
149.01250	5.8
149.09573	7.1
149.13260	14.8
150.02682	1.8
158.10890	16.0
167.02217	2.3
173.13220	54.1
191.14279	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
66.33183	0.2
69.27982	0.2
73.54101	0.2
74.95236	0.2
92.04987	0.3
92.09284	0.2
102.35630	0.2
105.04494	0.2
106.85181	0.2
132.05559	3.4
132.95888	0.2
133.06383	0.3
135.05540	0.4
146.06021	1.7
150.96904	0.4
160.05040	100.0
175.70813	0.2
192.07657	14.5
203.50700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.55782	0.9
54.81498	1.0
55.01871	9.1
55.05496	1.9
55.52816	0.9
66.46148	1.2
67.05483	5.3
69.03399	1.9
69.06709	1.6
69.07053	24.8
71.04980	10.5
79.05481	8.6
81.07050	4.8
83.04955	1.9
85.06519	1.1
90.22851	1.0
91.05459	20.1
93.07025	31.6
95.04929	4.2
95.08602	2.4
97.06499	4.6
100.25240	1.1
100.38254	1.2
103.94120	1.1
105.07024	11.7
107.04925	1.6
107.08582	25.2
109.06487	4.3
109.10146	6.8
116.06238	1.2
117.07027	8.9
119.05950	0.9
119.08549	7.7
121.05698	2.1
121.06484	24.9
121.10115	20.8
123.08060	11.4
127.70894	1.2
129.06949	4.9
131.08548	38.0
133.06422	1.1
133.10104	14.3
135.08025	16.5
135.11641	2.1
143.08655	1.8
145.10117	8.1
147.10603	2.0
147.11679	42.0
149.09589	5.2
149.13219	12.0
158.10905	4.0
161.09595	14.7
163.14795	1.4
173.09546	2.5
173.13225	16.8
176.12019	1.5
191.14282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.29055	0.7
55.05505	7.0
57.07056	1.6
58.44431	1.0
59.19134	0.8
67.05476	4.6
69.03416	10.1
69.07039	6.3
70.58192	0.8
71.04972	1.7
79.05480	7.5
81.07037	4.5
83.04973	11.2
85.06491	1.2
91.05470	14.3
93.07017	10.0
94.15720	0.9
95.08608	3.7
97.06504	4.2
105.07016	30.7
107.08584	38.8
109.06500	2.2
115.05408	1.3
117.06977	5.6
118.07742	1.1
119.08564	10.8
121.06496	5.3
121.10123	17.5
123.08035	6.1
129.06966	1.8
131.08540	28.2
133.10109	100.0
135.08017	9.2
135.11690	1.6
143.08514	7.7
144.09409	1.2
145.10088	9.3
147.11632	7.7
149.09567	4.3
149.13216	7.4
158.10844	12.1
161.09570	6.0
163.14764	1.1
173.13239	32.2
176.11900	2.3
191.14275	64.2
202.17616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
55.01862	19.5
64.33421	3.4
67.05505	39.0
79.05476	50.6
81.07040	24.1
91.05463	44.3
93.07030	59.7
95.04936	5.4
97.06515	9.2
104.22292	3.3
105.06996	24.5
107.04919	4.6
107.08575	57.1
109.06506	8.1
110.54847	3.8
117.07002	28.9
119.08573	24.6
121.06547	11.7
121.10098	39.9
128.03308	3.4
129.06972	7.4
131.08548	40.1
135.08008	5.9
135.11699	31.8
145.06432	3.9
145.10120	60.6
147.11674	5.5
149.09628	16.2
155.08585	6.1
163.11142	100.0
173.09601	31.7
191.10648	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.78144	5.0
52.85558	5.1
55.05489	6.5
56.96563	37.8
57.07066	5.8
59.05008	6.1
59.19416	4.5
67.05489	29.7
69.07050	5.7
71.04986	22.6
78.67692	5.5
79.05475	30.9
81.07053	10.6
83.04953	5.9
85.06527	5.8
91.05469	43.6
93.07026	27.4
95.04952	12.0
95.08612	5.2
105.07046	42.1
105.30991	5.1
107.08569	44.1
109.06514	34.1
109.10148	71.8
116.98672	7.1
117.06992	7.5
119.08546	30.0
121.10125	39.8
121.15844	5.6
123.08041	26.7
129.06996	6.6
131.08546	79.5
133.10124	24.4
134.99576	6.3
135.08005	52.5
143.08548	21.6
145.10083	39.7
147.11653	11.2
149.01215	28.3
149.09624	6.5
149.13269	9.7
158.10873	23.9
160.11983	6.1
164.76114	7.0
167.02229	12.0
167.30847	5.5
173.09538	6.7
173.13226	100.0
176.08003	5.3
191.14262	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04661	1.1
53.56677	1.0
54.14201	1.2
55.05509	7.6
56.96552	1.4
63.55463	1.2
64.34054	1.2
64.75253	1.1
66.18488	1.1
66.35085	1.6
66.49541	1.1
67.05498	6.8
68.93929	1.2
69.03413	7.9
69.07049	6.2
71.04977	3.1
79.05487	7.3
81.07047	8.0
83.04973	6.7
83.08616	2.2
85.06558	2.7
85.33416	1.3
91.05471	17.0
93.07024	11.4
94.26411	1.4
95.08601	8.0
97.06509	3.2
97.83654	1.6
102.10833	1.3
103.05454	7.8
105.07024	40.1
105.07665	2.7
105.12950	1.4
107.08586	40.9
109.06519	3.2
109.10142	1.4
115.05489	1.6
117.06995	3.4
119.08585	17.0
121.06485	1.9
121.10139	22.0
123.08048	8.5
129.06952	3.1
131.04939	6.5
131.08560	33.6
133.10117	100.0
135.08034	10.7
135.11696	2.2
137.98112	1.4
143.08566	9.8
145.10139	16.3
147.11671	12.1
149.09604	3.3
149.13235	12.0
153.55400	1.4
158.10921	13.3
161.09595	1.5
161.13239	1.6
163.07600	5.3
163.14807	2.5
173.13223	39.8
176.04620	2.2
191.07039	2.9
191.14285	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33344	4.0
54.81795	5.7
55.05491	8.9
55.17184	4.6
67.05492	8.3
71.04958	24.4
79.05473	8.1
81.07029	7.5
82.38311	4.6
84.88892	5.4
85.02875	7.9
91.05441	26.7
93.07002	11.3
101.36183	5.8
102.36409	6.4
105.06965	42.2
107.08575	19.8
111.03806	7.0
119.08569	63.4
131.08607	6.5
133.10101	10.4
141.06963	7.0
145.10085	28.8
147.11662	100.0
156.09319	46.5
159.07993	9.5
171.11659	29.7
174.10361	13.4
189.09111	7.2
189.12640	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.3
55.05503	22.8
56.96552	8.9
67.05486	25.2
67.61044	4.1
69.03387	3.8
69.07052	6.8
69.93675	4.7
79.05463	24.1
81.07038	19.8
83.04980	6.2
83.08590	8.2
91.05469	100.0
93.07024	8.6
95.04945	6.2
95.08607	5.1
105.07005	37.9
106.96547	19.8
107.08565	5.6
111.03815	37.7
111.04523	7.6
117.06969	8.6
119.00153	9.5
119.08578	23.7
120.04313	5.5
124.04680	17.8
124.97565	17.9
128.06183	5.0
129.06976	47.1
131.08557	6.3
133.05220	17.5
133.10103	19.7
135.02876	4.2
141.18974	5.1
142.98615	17.2
143.08563	29.4
145.10048	34.8
146.04121	6.2
147.11702	7.4
161.13170	5.5
171.11684	49.5
189.12625	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99069	1.0
53.00290	0.8
54.54977	0.5
55.88403	0.5
56.96551	0.8
57.07071	38.0
59.99098	5.8
64.39593	0.5
64.45456	0.6
68.27276	0.5
68.43130	0.5
78.00140	56.1
81.56107	0.5
84.08150	0.9
85.07479	0.6
86.09700	8.7
90.51455	0.5
92.01689	1.1
99.97750	0.6
131.56250	0.6
134.06342	49.0
148.07890	3.4
149.01067	0.7
149.02222	0.7
190.12582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.42887	0.4
52.36186	0.5
53.03935	1.0
55.01869	9.9
55.05500	1.4
56.96550	1.1
65.03923	2.4
67.05490	23.2
69.03338	0.5
69.58105	0.5
77.03899	1.1
79.05044	1.1
79.05478	14.3
81.03409	0.8
83.04968	1.0
83.92992	0.5
91.05463	33.1
95.04955	14.8
95.05527	1.0
103.05435	1.2
103.69197	0.6
105.03378	41.6
105.04079	1.3
105.07015	28.4
106.96605	0.6
107.04942	100.0
115.05446	7.0
116.06253	0.6
117.06998	22.7
119.04915	3.3
119.08533	6.9
121.02877	6.2
123.04378	0.8
128.06207	12.8
129.06955	1.2
131.04893	2.2
131.08589	0.7
132.05663	2.0
133.06474	11.2
133.10097	13.9
143.08553	11.3
145.06459	18.0
146.07227	0.9
147.04436	0.7
147.08014	6.7
148.96262	0.7
152.06207	1.0
153.06990	2.6
155.06042	0.8
161.09579	20.8
163.67419	0.7
171.08015	14.1
171.77484	0.6
189.09081	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	189.1233
Annotation	Val Ala
Peak:m/z	Relative Intensity
53.03929	0.3
55.05504	13.8
56.96555	1.3
57.03443	0.3
57.05804	1.0
60.51088	0.3
62.50193	0.3
67.05472	0.3
69.03419	1.1
72.08138	100.0
73.02887	0.3
73.03516	0.3
76.38370	0.2
79.05453	0.3
81.03392	0.3
81.07034	0.3
83.04964	1.0
85.02907	0.6
85.06537	0.5
86.09689	12.8
87.04418	0.3
90.05570	0.6
92.08720	0.5
95.04942	0.3
95.84998	0.3
98.97572	1.2
101.60715	0.2
103.21713	0.2
103.88079	0.2
107.04944	0.5
116.98593	0.4
125.05961	0.5
132.95854	0.5
134.99680	0.3
140.41032	0.2
143.08606	0.4
144.10168	0.3
189.12367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40438	1.1
55.01626	2.2
55.01867	40.9
55.05497	1.9
57.03426	42.7
59.04978	6.9
60.04494	1.5
61.02908	2.5
67.05470	1.6
69.03431	1.9
69.07028	1.4
70.06583	25.4
71.01338	31.4
71.04970	2.1
72.04487	3.5
72.08129	10.9
73.02905	12.4
73.18192	1.4
75.04467	1.8
79.05457	3.5
79.92484	1.3
82.32069	1.3
83.01315	8.6
83.04962	3.0
84.04499	11.2
84.08125	100.0
85.02892	2.5
87.00795	2.2
87.04459	25.0
89.02375	1.8
97.02890	2.4
100.07593	33.4
101.02357	44.7
104.69160	1.5
106.95553	1.3
111.00767	3.7
111.28608	1.6
112.07594	26.2
115.03905	40.5
119.58179	1.5
125.05954	1.8
126.09125	53.8
127.03828	1.5
129.01817	19.5
129.10257	1.9
130.04973	10.0
130.08574	6.7
131.30756	1.5
142.08644	6.1
143.03322	1.7
143.08902	3.4
147.02785	1.8
157.01302	34.4
175.02370	3.6
189.07358	1.6
189.12363	12.5
189.13753	1.8
191.20883	1.6
192.67764	1.5
203.35873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28780	1.5
56.96561	3.0
57.07072	100.0
68.23728	1.8
68.54105	1.6
71.08623	42.6
79.33096	1.6
80.20545	1.7
83.41571	1.9
85.02882	3.7
85.10179	13.7
86.50211	1.9
92.62113	1.9
102.09170	24.0
102.96844	2.2
119.02790	2.0
120.97897	2.4
121.01662	7.5
137.98347	3.9
139.01778	2.3
139.02724	3.8
140.07024	2.9
170.02713	2.0
181.02834	3.1
186.07671	2.2
186.18510	40.8
186.22141	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.44512	0.7
54.81575	0.8
56.96560	1.2
60.13564	0.7
62.37251	0.7
64.62943	0.8
67.00070	0.7
69.07090	0.8
91.05471	6.1
98.97574	1.1
115.05412	10.1
116.98566	1.0
117.05729	0.8
117.06998	7.3
118.06525	100.0
134.79391	0.7
142.06531	8.6
143.07298	18.9
144.08083	28.4
145.06435	1.8
146.05998	88.7
160.07588	1.1
170.05986	9.5
188.07040	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	184.0605
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.51125	0.3
53.03946	0.4
55.05499	1.4
56.96562	2.0
57.03422	0.4
65.03931	1.8
69.03433	1.7
70.03775	0.4
71.04972	0.8
73.02921	0.4
81.03396	3.2
85.02898	0.9
85.06545	0.7
86.09693	1.9
92.04996	1.5
96.01588	0.4
97.02896	0.6
98.97547	5.8
99.04472	0.6
101.00862	3.0
103.73727	0.4
110.06018	0.9
113.06014	1.8
116.98613	2.6
119.01900	19.6
120.04452	2.0
124.99979	0.8
134.99615	0.6
135.82080	0.4
137.02931	9.3
138.05476	6.8
142.03519	2.6
143.00140	2.0
148.03917	100.0
158.99625	0.9
160.04527	0.9
161.01198	0.8
161.02960	0.3
163.74751	0.3
166.04965	86.9
168.03589	0.8
173.01167	0.4
177.00713	1.8
179.03940	2.1
184.06007	13.9
184.07350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.87848	0.5
55.01858	0.6
56.96545	3.1
57.03435	0.8
58.06589	1.1
59.65322	0.5
60.08149	14.7
61.02907	0.7
69.03423	1.1
70.03729	1.2
70.06527	0.6
71.07353	12.6
73.02884	1.2
74.16060	0.6
77.29326	0.5
82.31287	0.7
83.04951	0.7
83.75223	0.5
83.89951	0.6
86.03206	0.9
86.09688	100.0
97.02914	0.9
98.98443	21.9
104.10719	5.3
116.98531	0.7
116.99365	0.7
119.01888	16.1
124.99981	93.2
137.02924	7.7
142.03452	2.6
143.01060	0.9
148.03964	0.8
155.78329	0.6
160.04346	0.6
179.04019	1.6
184.07306	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1536
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.7
55.05510	11.6
57.07069	5.0
60.95833	0.8
67.05496	14.5
68.99797	0.7
69.07056	31.1
71.04980	3.3
79.05485	11.1
81.07044	39.9
81.47097	0.7
83.08608	13.2
85.02901	1.5
85.06536	8.4
87.15404	0.7
91.05465	9.8
93.07028	42.7
95.04961	4.4
95.08595	20.5
97.02946	0.8
97.06535	8.6
98.97570	0.9
99.08080	3.3
102.96852	6.1
105.07012	6.1
107.04974	1.1
107.08584	73.2
109.06527	1.4
109.10152	21.3
111.08073	6.4
120.02016	2.9
120.97896	5.0
121.00774	4.2
121.06526	5.3
121.09252	1.6
121.10126	43.9
123.08055	1.3
123.11688	100.0
125.09619	0.8
138.03096	1.3
138.98965	4.2
139.01807	4.6
139.07535	1.6
144.03233	1.0
149.05943	3.4
149.09625	1.1
149.13232	30.1
149.14328	1.4
163.01801	3.1
167.14282	30.3
173.83505	0.8
181.02850	9.8
185.15321	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	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17524	0.9
53.03898	0.9
55.01863	6.2
55.05497	5.1
55.93521	1.6
56.94303	1.8
56.96560	12.7
57.03430	13.2
58.96160	10.8
59.93094	5.6
61.02906	7.6
66.57591	1.0
69.03417	54.2
71.04981	2.1
72.93767	2.3
73.02902	2.8
81.03393	5.0
83.04977	18.3
85.02895	15.0
87.04458	6.8
98.97572	13.8
99.04448	6.7
99.97890	8.0
100.02444	1.2
100.59554	1.2
100.97167	50.1
100.97982	32.6
101.00863	12.8
101.95000	4.3
103.03907	2.3
111.04423	10.9
113.96407	8.7
116.97220	5.1
116.98605	11.1
117.98930	8.2
118.03497	15.2
118.96788	26.4
118.98198	57.3
118.99030	33.7
119.01900	100.0
119.96120	1.4
124.02416	1.6
129.05472	7.0
131.97395	6.3
134.99655	11.4
135.99980	6.0
136.04555	13.2
136.99222	48.5
137.00098	25.7
137.02930	44.7
141.95055	1.3
141.98315	1.6
142.03487	68.0
146.96150	1.4
149.96227	1.1
154.00975	2.1
155.00096	11.3
155.01326	3.8
159.96960	1.7
160.00784	2.3
160.04524	74.2
162.21599	1.3
178.05573	32.7
183.06311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.82658	0.3
54.05948	0.3
55.93698	0.3
56.30878	0.3
56.96312	0.4
56.96560	7.0
60.13016	0.3
62.05313	0.3
62.96802	0.3
63.02355	0.5
65.94148	0.3
67.33575	0.4
69.03421	0.5
69.70341	0.3
71.95250	0.7
72.36559	0.3
77.36674	0.3
79.05478	5.3
89.03901	22.5
91.05460	2.1
95.04937	1.6
98.97567	54.3
107.04945	8.9
111.04429	1.6
116.98605	41.1
117.03365	32.7
119.04891	0.5
121.00613	0.4
132.33188	0.4
134.01225	0.4
134.99643	21.1
135.04398	56.5
137.05948	0.6
139.03885	0.7
140.00169	0.6
145.02835	26.3
153.00647	3.1
158.01227	1.7
163.03879	100.0
181.04965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
56.96557	13.0
63.02350	0.5
71.95261	0.8
79.05464	4.8
79.73006	0.4
89.03370	1.0
89.03900	24.3
90.15625	0.5
91.05473	0.8
95.04996	0.5
98.97562	100.0
107.04938	9.3
107.42822	0.4
107.57307	0.4
111.04446	1.1
111.20835	0.4
116.98602	70.9
117.03365	29.5
127.03856	0.6
134.99634	37.8
135.04390	51.4
139.03828	0.6
140.00177	1.0
145.02831	27.4
153.00679	5.1
158.01254	3.1
163.03873	91.5
176.02205	0.6
184.62665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01864	19.8
57.03432	14.3
61.02920	6.3
63.63667	1.1
64.24200	1.1
69.03068	2.4
69.03419	49.7
71.01387	1.3
71.05000	1.5
72.04504	1.5
73.02914	10.7
81.03399	5.7
85.02897	100.0
89.08239	1.1
92.67661	1.2
97.02873	23.5
99.04446	11.7
101.02374	13.4
103.03925	1.9
104.50387	1.2
109.02869	1.3
115.03933	4.5
127.03896	67.3
127.04816	2.5
127.60770	1.4
145.04945	26.5
163.05975	1.5
175.39664	1.3
180.08665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30939	1.9
55.01858	8.5
55.05490	1.9
56.96551	11.1
57.03411	16.8
57.07050	3.5
61.02914	13.0
61.24427	2.0
69.03412	40.5
71.04993	2.9
73.02892	9.6
74.92643	2.3
81.03409	4.4
85.02892	100.0
87.02583	2.5
91.03932	5.0
91.32292	2.1
97.02872	29.2
98.97559	54.9
99.04429	4.5
109.02883	3.9
114.00978	2.2
116.98600	53.8
120.08133	8.8
127.03893	35.4
134.99657	30.1
138.15936	2.1
140.00288	2.3
145.04930	12.7
153.00693	2.9
158.01260	2.3
180.03676	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	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
50.11459	0.3
52.25646	0.3
53.03938	0.4
54.81136	0.4
56.96279	0.6
56.96555	15.4
57.03429	0.4
59.87166	0.3
60.51687	0.3
63.02359	0.3
69.03419	0.6
69.06995	0.3
71.95250	1.5
76.07198	0.4
79.05475	4.0
81.03412	0.5
82.50451	0.3
85.02896	2.2
85.69208	0.3
87.86139	0.4
89.03897	23.4
89.04459	0.7
91.05458	4.6
93.07026	0.5
95.04938	1.6
97.02881	0.4
98.97564	100.0
102.96871	0.4
107.04929	7.3
108.10923	0.3
111.04420	0.9
114.36122	0.5
116.98600	87.9
117.03360	28.3
119.04933	3.9
122.03597	1.6
134.99635	52.9
135.04393	57.3
137.05951	14.0
140.00204	1.9
145.02829	26.8
151.07480	2.4
153.00711	9.9
158.01205	4.5
163.03870	99.9
171.89468	0.4
176.02223	0.8
181.02855	0.5
181.04900	0.6
181.08606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05505	12.4
56.96549	2.8
57.07065	1.8
67.05499	7.0
69.07057	30.2
75.72236	1.4
79.05463	15.7
81.07050	19.2
83.08617	16.0
91.05462	12.6
93.07026	36.9
95.04974	2.2
95.08590	40.7
97.10139	2.7
98.52407	1.5
98.97568	15.3
105.06995	11.2
107.08579	71.0
107.83295	1.6
109.10129	14.0
111.23160	1.6
116.98625	18.9
117.07012	1.9
119.08568	2.2
121.10118	100.0
131.08563	2.3
134.99646	14.1
135.11685	18.5
149.02328	1.7
149.13289	6.0
153.00665	1.8
172.95203	2.1
177.09079	2.6
177.16351	56.6
196.85367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97818	0.3
60.07706	0.4
62.91498	0.4
66.78010	0.4
87.41890	0.4
88.23641	0.4
92.09295	0.5
96.31233	0.4
98.97565	0.9
99.12291	0.5
101.00855	15.2
105.08359	0.4
119.01900	100.0
133.03470	3.2
137.02936	36.0
139.80708	0.4
142.03548	0.6
151.04497	2.2
156.00923	0.8
156.05023	0.8
161.02937	10.5
166.87505	0.4
178.05539	0.4
179.03981	24.3
199.91669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01866	16.5
57.03426	15.0
60.04508	0.6
61.02911	7.6
69.03414	51.2
71.04972	1.1
73.02066	0.6
73.02896	8.2
81.03404	3.5
85.02888	100.0
87.04453	1.1
97.02868	22.6
99.04423	8.7
101.02351	9.4
102.34258	0.6
103.03912	1.0
109.02849	3.3
115.03862	4.3
125.17594	0.6
127.03888	61.2
145.04935	25.4
150.21025	0.6
163.05984	4.2
168.49707	0.6
180.08589	0.8
181.02550	0.6
182.68652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01863	1.9
55.05504	4.8
56.96560	20.2
57.03426	7.5
59.05001	6.2
61.02914	1.6
62.13131	0.8
65.03928	1.1
69.03416	36.1
70.04903	0.6
71.04979	9.2
71.95248	1.8
72.08142	1.0
73.02896	1.5
75.04456	4.4
81.03398	11.2
83.01333	1.2
85.02893	19.2
85.06549	5.3
87.04465	4.2
89.03884	8.6
91.05485	1.1
97.02876	13.8
98.97566	88.2
99.04440	20.3
101.02399	0.8
109.02888	1.1
111.04420	1.0
113.06015	7.2
115.03918	1.1
116.98605	100.0
117.03359	15.1
117.05515	1.2
118.96718	1.0
119.01887	1.2
127.03889	12.7
129.05574	0.9
134.03593	0.7
134.99640	94.3
135.04439	1.2
145.02798	10.4
149.05972	4.4
153.00699	20.3
153.96669	0.8
158.01279	1.2
159.06523	1.5
161.02960	0.9
177.00688	1.5
177.05466	3.7
177.12762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.24527	0.3
53.03938	0.6
54.81966	0.4
55.05501	2.8
56.32968	0.4
56.96543	4.8
57.03449	0.4
59.04988	0.5
65.03917	0.6
67.05487	4.4
69.03410	2.0
69.07039	2.2
71.05001	1.9
77.03918	0.6
79.05486	5.4
81.03389	0.7
81.07039	4.2
88.59008	0.5
89.03893	2.7
91.05464	17.7
93.07020	10.3
95.04934	2.0
95.08572	0.8
98.97569	18.5
103.05460	2.2
103.39410	0.5
105.04489	0.5
105.07014	36.7
107.04893	0.9
107.08575	19.4
109.06528	0.8
114.37865	0.5
115.05422	5.0
116.06215	3.3
116.98598	21.1
117.03365	4.4
117.06998	27.9
119.04904	0.7
119.08566	23.8
120.09331	0.7
121.06467	0.8
121.10110	8.0
128.06195	4.0
129.06042	1.0
129.06989	30.5
130.07764	8.9
131.06859	2.9
131.08546	42.8
133.06490	0.7
133.09183	0.8
133.10110	15.2
134.03590	0.6
134.07265	1.0
134.99635	15.3
135.08028	1.9
135.11678	16.3
137.09596	0.6
141.06891	0.5
142.07776	4.7
143.08546	2.6
144.09328	42.7
145.02847	3.5
145.06471	0.7
149.07919	0.5
149.13246	5.4
153.00690	4.4
157.10107	4.7
159.11668	100.0
159.92188	0.6
162.06711	3.8
177.00810	0.5
177.05464	2.0
177.09077	20.5
177.12711	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.21729	2.0
55.05500	23.7
59.61354	1.8
67.05489	3.6
69.07050	37.8
75.63574	2.3
76.95259	3.0
79.05487	4.0
81.07030	11.8
83.04996	3.0
83.08607	5.4
85.02921	2.6
91.05436	22.7
93.07029	6.0
95.08582	14.6
103.05432	2.5
105.07005	42.0
107.08588	10.7
117.06985	3.6
119.08559	100.0
131.08521	9.7
133.09174	4.9
133.10112	89.1
139.18401	3.6
145.10101	10.5
147.11694	16.3
175.07542	10.4
175.14781	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32428	0.6
51.76804	0.5
53.00287	0.9
55.05507	11.7
57.07075	6.2
58.07393	0.9
61.86248	0.8
62.06059	2.8
67.05482	3.6
69.07056	22.7
71.08605	1.8
79.05458	5.0
81.07037	16.1
83.08591	6.2
91.05466	14.4
93.07004	5.0
95.08592	12.8
105.07013	34.9
107.08588	7.7
116.98636	0.9
117.07012	4.4
119.08557	81.8
120.09315	0.8
121.10102	1.7
131.08543	6.4
132.09325	1.0
133.10103	100.0
145.10107	9.0
146.10783	1.0
147.11662	12.1
156.17511	0.8
160.12416	3.1
173.13220	1.5
174.18484	9.8
175.07552	0.9
175.14781	77.3
175.18848	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.00287	0.9
53.48236	0.7
55.05505	15.2
57.07072	0.9
64.34741	0.8
67.05479	5.0
69.07056	27.9
79.05455	4.6
81.07039	12.3
83.08583	6.6
84.49416	0.9
84.58496	0.9
91.05457	16.9
93.07015	6.0
95.04961	1.1
95.08590	11.1
103.05388	1.2
105.07016	47.5
107.08566	8.6
108.16866	1.0
115.05431	20.8
116.06198	1.1
117.06977	9.5
119.08560	100.0
121.10094	1.9
131.08527	6.8
132.05702	1.8
133.10106	76.5
143.04947	3.7
144.05667	3.6
145.10089	7.2
147.11693	11.5
160.05165	26.4
160.12402	4.2
173.13184	1.7
175.07515	24.9
175.14783	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06941	1.0
53.03907	1.1
55.05507	16.5
60.74958	0.9
64.66055	1.0
67.05491	4.9
69.07056	16.9
79.05451	4.6
81.07037	22.1
83.08587	4.7
84.15561	1.0
89.06379	1.0
91.05458	23.6
92.08703	2.1
93.07021	11.4
95.08593	12.6
105.07018	67.5
107.08598	11.5
114.94711	0.9
117.06985	5.5
119.08562	100.0
121.10044	1.3
131.08551	13.0
133.10110	69.7
145.10114	6.9
146.10866	4.9
147.11696	17.2
175.14789	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.3
55.05494	3.1
55.80803	0.4
67.05490	0.4
69.07056	6.4
79.05480	2.4
81.07043	6.0
83.08613	0.6
91.05469	4.5
93.07046	3.1
95.08596	4.3
105.07014	15.8
107.08608	3.1
107.17290	0.5
115.05481	0.6
117.06998	0.9
119.08550	30.9
120.09383	0.5
121.10142	0.6
131.08490	3.3
133.10103	100.0
139.22942	0.5
145.10123	3.4
147.11665	4.9
160.12457	1.0
175.14787	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
55.93516	0.5
61.98407	0.3
70.02760	0.3
70.95840	2.3
72.08137	3.3
72.93775	13.3
83.04952	2.1
85.07645	1.7
89.03695	0.8
89.04239	22.3
90.90404	0.8
90.94810	6.4
91.77328	0.4
95.30385	0.4
101.05994	1.7
101.93133	0.4
102.96831	0.4
108.95860	1.5
111.04433	1.6
111.98438	1.8
113.96384	0.6
118.31719	0.5
131.06371	52.4
131.96088	0.6
131.97406	0.6
132.95811	4.3
149.94080	0.7
149.96080	2.5
149.97171	1.3
150.96881	6.0
155.07002	1.9
155.97424	0.7
167.97121	3.9
173.08064	2.7
173.11052	100.0
173.98456	2.0
188.12311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29225	0.2
55.05478	0.4
55.93474	0.3
56.05018	0.3
59.56872	0.2
60.04491	0.3
60.05640	1.9
68.05019	4.1
69.03416	1.9
70.06577	21.2
70.95841	2.1
71.04976	3.3
72.93756	1.2
79.44257	0.2
82.06567	2.2
84.04490	0.6
86.06052	2.6
88.96838	0.3
98.98440	0.3
102.05526	1.6
111.05522	0.3
111.98454	0.6
112.07567	0.4
112.08739	0.5
114.05511	100.0
115.03902	1.6
119.01917	0.4
128.07065	5.9
128.08061	0.6
128.10695	1.7
129.99442	0.4
132.08075	0.5
132.95834	2.2
138.66000	0.3
150.96849	4.3
155.97427	1.1
156.06465	0.4
173.98442	1.1
174.07523	0.7
174.08769	6.7
174.11198	4.1
174.12735	1.0
187.97638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.66943	3.4
54.68407	3.4
55.05499	6.3
69.07045	3.3
69.73910	3.2
91.05461	7.4
92.90068	14.7
105.07024	19.0
111.32090	3.4
116.62007	3.4
119.08553	52.1
133.10114	62.0
145.10136	7.1
147.11618	27.7
151.93797	6.5
157.04262	20.3
159.11684	4.7
160.12413	4.3
175.13225	4.6
175.14781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05506	13.3
67.05483	4.5
69.07059	21.1
72.89998	0.6
79.05491	5.6
81.07042	17.6
83.08600	4.6
84.34577	0.7
91.05457	20.6
93.07012	8.4
95.08592	11.3
103.05464	0.9
105.07014	67.3
107.08569	12.9
117.07019	5.9
118.07695	0.8
119.08559	100.0
121.10100	1.4
131.08542	13.0
133.10109	62.7
145.10071	6.0
146.10895	5.1
147.11676	15.6
159.64857	0.7
160.12463	2.7
173.13229	1.7
175.14789	95.3
181.08064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
54.81908	0.6
55.05500	2.8
56.96552	0.8
57.07071	11.8
59.04998	0.6
59.81916	0.6
63.45343	0.6
67.05491	15.3
68.80557	0.6
69.07062	5.5
71.04967	1.4
71.16014	0.6
81.07048	6.8
83.08618	4.7
85.06518	0.7
85.10176	1.1
91.05457	1.2
93.07029	5.5
94.27966	0.7
95.04967	1.4
95.08581	0.9
95.25608	0.6
101.52664	0.6
105.06966	1.0
107.08572	2.7
109.06499	0.8
109.10143	77.0
111.08067	100.0
122.76675	0.8
123.11680	1.0
127.11169	92.2
151.11218	1.2
169.12202	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	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.44154	2.0
55.05508	43.6
55.96927	2.0
56.96560	2.2
59.04994	9.8
61.02927	2.5
67.05490	24.5
69.03429	2.1
69.07064	14.8
71.04982	20.8
72.04503	100.0
76.56420	2.3
79.05480	2.4
79.84648	2.3
81.07047	9.4
83.04964	2.4
83.08595	34.3
89.07137	65.4
91.05435	3.3
93.07014	24.0
95.08587	82.5
97.06541	3.3
100.63333	2.2
107.08565	26.9
109.10143	60.4
111.08066	4.5
111.11652	2.4
119.01801	2.6
121.84257	2.2
135.11687	42.7
146.03207	2.1
153.12711	38.5
158.40866	2.3
171.14917	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.3
55.05490	2.8
56.96550	0.9
57.07070	100.0
58.07393	0.8
59.42188	0.6
59.99102	28.8
60.40673	0.6
68.56092	0.6
72.04489	3.5
73.90973	0.6
83.08561	0.7
89.07143	1.3
90.73895	0.6
90.90387	1.3
91.60643	0.6
95.07716	0.7
111.04420	1.0
116.05295	17.0
125.45528	0.7
131.93001	0.7
162.64633	0.7
172.11417	1.5
172.15228	3.0
172.16763	0.8
174.99937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03930	1.1
55.01850	0.7
55.05499	1.1
56.96546	2.4
57.03422	0.7
57.07069	0.9
65.03928	75.7
67.05488	3.0
67.32198	0.5
69.03427	0.8
71.04978	0.8
79.05479	2.3
81.03379	2.3
81.07040	2.4
83.04985	0.6
83.08598	0.6
90.95375	0.5
91.05468	1.0
91.83078	0.5
93.03380	20.0
93.07030	2.0
95.04948	3.4
95.08584	2.0
97.06520	0.8
99.26570	0.5
105.07004	1.2
107.04926	0.6
107.08584	0.9
109.02868	2.3
109.06522	0.7
109.10174	0.8
110.03657	11.0
111.00847	0.9
111.04427	100.0
111.08047	5.2
123.04424	3.9
123.08057	2.3
125.05974	21.3
126.03076	1.1
127.03923	0.6
141.05446	5.5
151.03880	21.9
151.04970	1.9
151.07475	0.5
163.59335	0.6
169.04938	13.4
169.07536	1.1
169.12276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	DHMAL
Peak:m/z	Relative Intensity
55.05512	1.2
56.96558	5.1
64.33800	0.8
65.03932	75.4
67.05496	1.9
81.03444	1.0
81.07021	0.8
82.56359	0.8
83.04977	1.0
93.03387	31.3
95.04963	4.1
109.02888	1.8
110.03645	10.3
111.04436	100.0
111.85767	0.8
123.04435	3.7
125.05977	26.1
128.02310	1.3
133.02884	1.1
141.05447	1.3
151.03908	25.7
151.05022	2.5
169.04971	10.9
187.56821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56734	0.3
53.03932	0.6
54.69930	0.4
54.81813	0.4
55.01842	0.5
55.05508	0.4
63.00029	0.3
68.99783	4.0
69.43934	0.3
73.60624	0.4
82.90982	0.4
87.86123	0.4
92.08706	0.9
97.02895	1.4
98.03646	2.7
99.07858	0.4
109.02882	0.9
111.00791	32.8
125.02290	0.5
126.03114	40.4
128.79613	0.5
141.05450	100.0
162.89783	0.5
164.56175	0.4
169.04938	49.1
172.95554	0.5
189.10843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01870	0.4
58.40008	0.3
68.99780	3.7
79.58121	0.4
83.53046	0.3
97.02869	0.8
98.03661	3.6
109.02873	1.6
111.00786	33.3
111.49013	0.4
113.06015	0.4
126.03108	38.5
134.12845	0.3
141.05446	100.0
142.05765	0.7
169.04930	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.00650	0.9
54.51618	0.8
56.96556	3.8
65.03950	8.2
71.71806	0.9
75.91161	0.9
79.05476	2.0
81.07035	1.3
84.96010	2.4
91.05427	1.0
93.03394	1.9
93.07024	1.8
95.04932	2.0
103.00620	5.7
106.74750	1.0
107.04897	1.3
109.94721	1.0
111.04436	16.9
121.01660	40.7
121.02850	28.1
121.03991	2.2
121.06509	2.5
128.98541	1.2
138.03178	1.0
139.02705	19.3
139.03888	39.2
144.03227	17.4
149.02316	100.0
162.04277	9.5
167.03363	46.1
167.04718	1.9
167.07094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
55.01862	0.5
55.05503	0.4
56.96565	0.3
57.22084	0.2
65.03927	2.8
67.05447	0.2
69.07082	0.2
71.53469	0.2
73.02901	5.8
73.20148	0.2
79.05463	1.5
81.07008	0.8
83.04968	0.4
84.08768	0.2
84.96024	0.5
91.03947	0.3
91.05460	1.5
93.07038	2.3
95.04939	2.1
95.08622	0.2
97.06490	0.2
98.97519	0.3
99.27242	0.2
103.00616	0.4
103.05434	0.4
105.06973	0.8
107.04925	0.4
107.08562	1.8
109.06514	0.4
111.04423	3.3
115.51843	0.2
119.04910	3.0
120.01980	0.4
121.01697	4.5
121.02847	100.0
121.03857	3.1
121.06458	4.3
121.10110	1.5
139.02698	3.3
139.03825	0.8
139.11189	0.2
140.77119	0.3
144.03180	2.6
149.02338	1.0
149.05963	19.7
149.09630	0.4
162.04320	1.3
165.30212	0.2
167.03351	1.1
167.07008	3.8
167.10628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.98878	2.1
51.88620	1.9
55.05493	16.8
56.96553	14.3
67.05480	5.5
69.07056	38.2
70.98109	3.0
79.05489	24.5
81.07029	10.9
83.04943	2.9
84.96024	18.6
90.41644	2.5
91.05463	17.2
93.07027	69.4
95.04956	5.9
95.08583	15.8
97.06482	3.7
98.13500	2.4
103.00613	3.8
105.07017	19.3
107.08604	4.1
111.11692	10.7
120.01971	3.9
121.01636	76.5
121.10132	100.0
123.08050	4.7
139.02687	42.0
142.19315	2.2
144.03238	33.6
149.02306	3.1
149.09624	19.2
162.04317	12.1
163.03885	28.3
167.10626	38.3
189.06783	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	167.1431
Annotation	Norecasantalol
Peak:m/z	Relative Intensity
55.01865	2.1
55.05506	16.1
57.03426	2.3
57.07071	3.0
67.05491	18.6
69.03437	1.3
69.07058	29.4
71.04977	2.2
79.05475	24.1
81.07040	57.5
82.28947	1.2
83.04961	1.3
83.08599	7.9
84.96024	5.2
85.06522	1.5
91.05467	14.4
93.07031	43.2
95.04953	9.0
95.08585	22.6
97.06532	10.1
103.00634	2.2
103.05445	1.6
105.07031	15.7
107.04895	1.2
107.08585	82.0
109.06535	2.8
109.10148	33.5
111.08050	6.4
119.08594	1.8
121.01648	17.9
121.06477	3.1
121.10133	45.2
123.08073	2.4
123.11687	100.0
125.09616	1.4
131.04916	2.6
131.08586	1.6
139.02713	8.6
144.03252	7.8
149.02332	1.5
149.09641	2.9
149.13257	21.1
158.13638	1.4
162.04285	2.1
167.06871	1.5
167.10608	1.8
167.14285	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.12075	0.1
54.81760	0.2
69.97735	0.2
78.90823	0.2
79.05472	1.8
84.67726	0.2
91.05472	0.8
93.07034	2.5
103.05449	12.8
107.04963	2.0
115.96359	0.2
120.08083	100.0
131.04906	1.4
132.20303	0.2
142.79016	0.2
147.64188	0.2
149.05963	0.8
150.88101	0.2
166.08595	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	166.0862
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
53.03929	2.2
53.35878	0.5
57.04940	0.5
57.09896	0.5
59.61508	0.6
69.03429	0.7
78.05846	0.6
80.05005	100.0
86.25831	0.5
87.04457	79.4
119.01865	0.6
120.01991	1.3
120.08089	0.8
138.03044	0.9
143.03636	0.9
148.04755	0.6
156.67259	0.5
161.04707	0.8
166.08611	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
56.96562	0.7
57.03433	1.0
62.71305	0.7
69.03403	0.9
74.43452	0.8
80.04996	100.0
86.01944	0.7
87.04448	71.5
91.05472	3.5
92.05792	10.6
93.07012	1.2
96.02055	0.8
101.00859	1.1
102.00964	1.8
103.05423	1.2
110.06051	0.9
119.01898	9.1
119.04929	3.5
120.01981	20.9
120.05245	22.7
120.08092	11.3
121.01696	1.2
137.02916	3.3
138.03024	11.6
138.09105	1.7
142.03468	1.9
143.03590	10.8
148.04720	43.1
161.04626	6.5
164.02328	0.9
164.75331	0.9
166.07182	1.1
166.08597	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	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.3
57.90009	0.2
58.42505	0.3
65.03928	1.6
69.03419	0.6
69.07054	0.4
74.24405	0.2
84.25819	0.3
91.05460	34.4
94.26304	0.3
95.04942	2.2
98.97580	0.7
101.00868	2.1
103.05456	0.3
105.07012	1.3
119.01898	14.6
119.04918	65.0
123.04411	3.1
137.02937	4.8
137.05965	0.4
142.02483	0.4
142.03487	6.8
147.04388	100.0
160.04549	2.5
165.05467	1.7
165.09062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.68768	0.3
55.01859	0.4
55.05507	0.4
65.03918	1.9
67.05474	0.3
69.03406	1.8
79.05458	0.4
81.07032	0.4
91.05463	33.7
93.07006	0.6
95.04936	2.3
95.95780	0.3
101.00874	3.4
105.07016	3.2
109.06539	0.3
119.01904	22.4
119.04921	61.7
123.04402	1.9
124.02419	0.4
133.06435	1.6
137.02939	8.6
137.05957	2.1
142.03487	12.8
147.04393	100.0
160.04533	5.5
165.05424	2.1
165.09029	0.4
172.42140	0.4
175.16454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
55.01857	20.4
55.05507	48.7
56.96314	6.9
56.96560	86.6
57.07056	36.3
57.69403	4.7
67.05496	36.3
69.03416	19.3
69.07055	10.2
69.84878	4.4
79.05496	44.8
81.03378	4.2
81.07034	31.2
83.04986	4.8
83.08606	48.4
85.02879	18.5
86.05495	3.8
89.03918	54.6
89.06017	17.4
91.05452	35.2
93.07020	68.4
95.04931	18.9
95.31258	3.6
97.02866	4.6
102.77488	4.2
103.05465	6.6
105.07021	5.5
107.04939	25.2
107.07135	4.4
107.08572	28.9
109.06481	6.6
115.70117	4.2
116.03060	24.3
117.03387	32.3
117.06984	22.4
119.08562	30.2
121.06459	22.5
121.10125	15.5
122.09658	7.2
127.59434	5.3
129.02219	7.8
135.04390	59.6
135.11676	17.2
137.04431	4.3
137.05383	35.8
145.02831	23.3
145.10077	20.0
146.05968	6.2
146.56087	4.5
147.03273	9.3
160.05788	5.1
163.03896	55.2
163.07489	7.1
163.11145	100.0
173.01164	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23905	0.4
57.03426	0.5
63.12719	0.4
65.03934	2.9
69.03402	1.9
79.12474	0.4
91.05462	35.8
93.07011	0.5
95.04940	3.9
101.00871	5.0
109.10168	0.5
115.37718	0.4
119.01904	29.6
119.04919	70.4
119.08501	0.6
120.80122	0.4
123.04404	2.6
124.02489	0.5
132.33189	0.4
137.02948	11.5
137.09602	0.6
142.03482	15.8
147.04388	100.0
148.07509	0.4
160.04509	5.7
165.05478	0.5
165.09059	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03944	0.7
54.84330	0.4
55.01863	1.9
55.05505	2.2
57.03434	2.1
57.07067	5.5
59.77446	0.4
61.02915	0.6
64.16771	0.4
64.86715	0.4
67.08361	0.4
69.03418	6.5
71.02901	0.4
71.04955	0.6
73.02905	0.9
76.59306	0.4
79.05482	3.1
81.03401	1.1
83.08635	0.5
85.02881	4.5
87.04456	0.5
89.03902	15.6
89.06004	3.2
91.05465	1.0
93.07011	0.7
95.04941	2.2
97.02904	0.8
99.04450	2.2
100.11243	0.5
101.02379	0.8
101.09635	0.4
101.36851	0.4
103.05450	95.0
103.52688	0.4
104.05771	0.5
105.06993	1.0
107.04919	3.7
107.08594	0.8
117.03360	11.1
117.05457	0.9
121.06482	1.0
122.09692	0.9
127.03937	0.5
131.04904	100.0
135.04405	18.2
145.02821	5.8
163.03867	17.3
163.07509	51.3
163.11162	0.8
164.07892	0.6
179.36986	0.4
181.02991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.39456	0.4
53.03930	2.5
55.01845	0.9
55.05510	4.2
56.96537	0.6
57.03421	1.2
57.07066	9.5
58.17759	0.5
61.02904	1.0
63.02344	0.8
64.58214	0.5
66.68365	0.5
69.03412	7.7
71.04958	0.9
73.02902	1.3
79.05466	5.4
81.03387	3.0
83.08596	0.9
85.02896	6.2
87.04474	0.7
89.03894	22.4
89.06016	4.4
91.05451	1.2
95.04940	3.7
97.02887	1.2
99.04444	2.4
100.11275	0.6
101.02331	0.8
101.09605	0.6
103.05450	95.2
104.05738	0.6
105.07022	1.1
107.04926	6.7
107.07024	0.7
107.08585	1.5
115.05400	0.8
117.03364	16.3
117.05495	0.9
117.06979	1.4
118.03499	0.8
121.06511	1.0
122.09664	0.9
127.03876	0.6
130.07706	0.6
131.04906	100.0
132.05257	0.7
135.04399	23.9
145.02849	9.3
163.03864	28.2
163.07507	49.3
163.11156	0.9
164.07878	0.7
181.02858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0865
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03928	1.4
55.01865	0.6
56.31234	0.2
57.03426	2.2
57.07044	0.3
61.02929	2.1
63.02364	0.3
68.65352	0.3
69.03412	5.2
70.45004	0.2
71.04958	0.4
73.02894	1.5
78.79771	0.3
79.05457	1.8
81.03391	1.7
85.02888	10.2
89.03900	12.3
89.04453	0.4
89.06016	0.3
91.05447	0.3
92.04983	0.6
95.04939	0.5
97.02907	2.8
99.04430	0.6
101.02346	0.5
103.05442	1.2
107.04943	3.0
109.02818	0.3
117.02507	0.5
117.03347	10.3
117.05570	0.5
118.06538	2.5
120.97886	0.4
121.00729	0.4
127.03920	1.1
130.06459	0.3
131.04890	0.6
132.06818	0.3
132.08052	0.4
133.07588	19.8
135.04396	17.0
139.01813	0.9
145.02838	6.3
145.07585	19.7
146.08371	1.9
163.01752	1.6
163.03889	12.7
163.08635	100.0
164.08855	0.3
181.02788	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03936	1.8
53.62668	0.8
55.01862	0.8
57.03432	1.0
57.07057	1.0
63.02343	0.9
69.03407	3.8
75.54562	1.0
79.05474	13.1
85.02881	5.6
89.03903	87.6
95.04945	5.0
99.04448	1.0
103.05453	1.5
107.04942	12.7
116.78732	1.0
117.03368	64.5
121.00723	2.0
131.04970	1.6
135.04398	100.0
145.02835	40.7
145.03827	1.3
163.01846	2.2
163.03880	74.8
163.08618	7.1
181.02878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.46712	1.2
53.03938	1.5
63.02343	1.7
64.33720	1.4
75.86469	1.2
79.05486	14.0
79.35202	1.3
85.47404	1.4
87.24451	1.3
89.03905	86.4
89.04456	3.0
95.04935	5.1
107.04953	17.2
117.03368	76.6
128.55940	1.5
135.04405	100.0
145.02838	38.0
163.03879	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	1.7
57.07076	1.5
62.61985	1.1
63.02356	2.2
63.42350	1.1
79.05485	15.7
88.10142	1.1
89.03905	82.5
95.04970	2.4
106.29362	1.1
107.04964	15.7
107.08568	5.6
117.03370	76.5
121.10172	1.4
135.04402	100.0
135.11717	1.4
145.02843	45.8
163.03883	89.4
164.37994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.6
61.11180	1.3
63.02360	1.9
65.79615	1.2
69.03405	3.6
70.04078	1.4
72.44521	1.4
79.05466	11.5
85.02879	2.4
89.03895	76.3
95.04959	2.8
103.05407	2.4
107.04940	15.3
108.46165	1.8
116.18754	1.7
117.03356	62.4
126.00632	1.5
131.04869	2.0
132.95047	1.6
135.04387	89.8
145.02837	35.8
145.03964	2.8
145.36002	1.8
163.02481	3.7
163.03857	100.0
165.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	(R)-2-Ethylmalate
Peak:m/z	Relative Intensity
53.00295	0.7
53.03934	6.3
54.81919	0.7
55.01871	12.5
55.05503	8.1
55.05740	0.9
55.49935	0.7
56.96551	3.5
57.03175	1.2
57.03429	23.8
57.07066	9.5
59.04997	1.1
61.01146	0.7
61.02914	14.0
62.92983	2.6
69.03416	61.0
71.01334	1.7
71.04972	10.1
72.08145	1.2
72.67088	0.6
73.02895	14.5
75.04447	1.3
79.05483	6.0
80.05002	1.0
81.03400	19.4
83.01337	1.4
83.04968	1.6
83.08598	0.8
84.08131	4.3
85.02890	100.0
85.06519	0.7
87.04428	4.9
89.03895	21.2
89.06026	4.0
91.03931	1.6
91.05484	0.8
95.04939	3.5
97.00794	1.2
97.02872	22.7
98.97569	3.9
99.04434	49.3
101.02358	10.5
101.09635	0.7
102.96848	0.9
103.03921	36.9
103.04607	1.2
103.05455	1.5
105.03348	0.7
106.06545	8.7
107.04955	5.9
109.02862	8.0
115.03918	3.4
116.98615	3.3
117.03370	15.8
117.05637	11.6
119.97867	1.0
120.08101	3.8
120.97919	0.9
121.00753	7.6
121.01624	2.2
121.06494	1.7
121.96665	5.5
127.03893	32.4
130.06509	21.2
132.08055	23.5
133.02852	0.9
134.99667	1.1
135.04395	30.4
139.01802	13.2
145.02829	8.9
145.03864	1.1
145.04924	5.8
149.13040	0.7
158.96320	1.4
163.01779	9.4
163.03870	25.2
163.08649	2.9
163.12265	21.7
169.08717	0.7
180.02605	0.8
181.02850	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59842	0.5
59.62101	0.5
62.59415	0.6
69.03416	6.7
81.11944	0.6
88.02197	1.3
91.05441	3.7
93.07044	0.6
101.81802	0.7
105.07012	14.3
110.40769	0.6
115.05449	0.9
115.43157	0.7
116.55898	0.7
117.07006	0.7
119.08533	2.5
119.56770	0.6
128.06203	4.6
132.05679	1.2
133.06487	1.4
133.10092	5.8
143.08539	7.7
145.06441	3.7
146.07202	4.9
150.93233	0.6
159.08014	6.3
161.09587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03934	1.5
55.05495	1.6
57.03414	1.2
57.07060	2.3
64.33289	1.0
69.03413	4.8
79.05476	14.2
85.02885	6.6
88.32008	1.0
89.03899	89.6
89.05973	2.1
95.04937	6.3
97.02859	2.2
103.00748	1.1
103.05441	1.4
107.04943	13.7
111.11292	1.0
117.03362	69.2
121.00791	1.3
135.04398	100.0
135.50693	1.4
135.82657	1.1
145.02838	37.9
145.03925	2.6
163.03874	79.5
176.07745	1.1
181.02824	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13419	0.4
53.23434	0.5
54.36183	0.4
58.64595	0.4
77.20616	0.5
98.97542	0.6
101.00864	18.0
116.05704	1.0
117.12639	0.5
119.01904	100.0
120.01965	4.7
122.00602	0.5
128.52258	0.6
137.02928	35.9
137.49997	3.1
137.99965	0.9
138.03076	0.7
138.49930	0.6
142.03497	1.0
143.03619	3.2
149.00900	0.5
161.02937	1.3
161.04767	0.7
179.04018	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81882	4.1
69.73837	3.2
88.02213	7.9
91.05524	4.5
105.07007	51.6
117.17493	3.6
121.06528	25.6
128.06204	3.9
132.14783	3.6
133.06493	4.0
133.10118	32.4
142.95982	3.6
145.06389	4.3
146.07289	35.9
161.09578	100.0
161.29965	3.4
163.89713	4.0
179.94933	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74974	0.9
69.03426	9.0
85.19968	1.1
88.02203	1.4
89.83480	1.0
91.05451	9.7
93.07019	2.3
103.05510	1.1
105.07017	46.4
107.05011	1.2
115.05458	1.2
117.06957	1.4
119.08570	5.2
121.06504	22.8
128.06192	13.2
131.04921	5.5
132.05717	1.3
133.06477	2.3
133.10120	23.0
143.08546	10.5
145.06430	5.1
146.07256	35.7
161.09598	100.0
161.13223	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	157.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.8
56.96552	1.5
61.04037	4.9
72.08139	38.7
72.93782	0.4
73.93839	0.4
78.38148	0.3
98.97569	8.4
103.08670	0.4
115.08675	42.6
116.97220	0.7
116.98587	5.7
134.99634	3.2
150.96790	0.7
151.97002	0.6
153.00697	0.4
157.13342	100.0
166.74124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.2
53.68996	1.5
55.05502	4.7
55.76444	1.6
56.96572	2.0
57.07061	1.9
65.03927	4.4
67.05505	21.9
69.07060	12.7
69.96176	3.6
70.95847	13.9
71.04987	3.0
72.93774	100.0
72.94180	3.3
81.07052	4.4
83.04974	10.0
85.02905	2.0
85.10153	2.9
88.96866	8.2
90.24086	2.0
90.94801	24.3
95.04940	2.1
95.08589	13.5
97.06494	18.8
99.04433	3.8
101.31719	1.8
102.49886	1.8
108.95835	4.7
109.10146	13.6
111.04431	20.3
111.98483	2.5
113.06001	7.6
113.09626	2.1
113.96397	41.0
129.99457	3.7
131.96420	3.6
131.97415	49.0
132.95834	17.8
137.02307	4.0
137.06015	2.2
137.09583	23.1
138.96255	2.2
149.97214	10.8
150.96869	50.3
155.05931	3.1
155.07047	21.2
155.10674	12.9
155.14252	3.2
173.98395	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	155.1067
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
53.03920	2.0
55.01858	5.0
55.05506	35.3
56.96564	4.6
57.03422	6.7
57.07050	4.8
61.69697	1.1
64.33762	1.0
65.03922	7.4
67.05491	65.1
67.13367	1.1
69.03408	7.7
69.07063	10.6
70.95840	11.2
71.04979	30.8
71.08614	65.4
72.93377	2.2
72.93773	56.9
72.94180	2.4
72.98145	0.9
73.02907	1.2
79.05479	2.7
81.03404	8.7
81.07030	14.7
83.04526	1.1
83.04980	8.7
83.05367	1.0
83.08607	1.3
85.02890	38.0
85.06527	1.2
85.54096	1.1
88.96887	2.7
90.94805	22.0
91.05452	10.9
91.21957	1.3
93.03376	1.3
93.07029	20.1
95.04941	9.5
95.08584	100.0
96.25544	1.0
99.04440	8.5
99.08071	27.6
101.06009	2.4
107.08600	1.8
108.95827	2.1
109.10141	39.2
111.04423	18.9
111.98464	4.7
113.05993	12.5
113.96378	23.3
119.08556	13.3
127.11170	12.3
129.99469	1.8
131.97404	31.9
132.95795	9.7
137.09593	9.2
149.97171	5.9
150.96883	27.2
154.98845	1.2
155.03355	1.2
155.07080	10.3
155.10641	7.6
163.03923	1.8
173.98434	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	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27293	0.3
54.93826	1.9
57.07040	0.4
62.41590	0.3
69.96163	29.3
71.94090	13.0
72.93768	2.8
87.97192	0.8
89.95147	0.4
90.56176	0.4
95.51344	0.5
101.00878	0.6
105.56956	0.4
110.98764	1.0
111.04397	0.4
113.95104	1.8
113.96355	1.5
118.03499	0.4
118.34563	0.4
119.01917	3.1
120.01952	0.9
121.01640	2.2
131.52531	0.7
131.96129	57.3
132.95813	0.9
137.50018	0.5
138.00052	0.8
138.49907	0.6
139.02698	0.7
142.03445	2.2
143.03668	0.7
144.03218	1.7
149.50813	0.7
149.97183	100.0
150.96873	2.1
154.97704	2.5
160.04527	0.8
162.04286	0.6
162.13974	0.4
167.98245	9.6
168.49805	0.4
172.98816	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	155.0339
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
55.01846	0.5
57.07052	0.7
58.03956	0.5
58.82772	0.5
65.03928	55.0
69.96162	0.9
70.95845	4.9
72.93771	9.6
78.05855	0.7
81.03399	5.2
88.96853	0.7
90.94807	2.2
92.09315	1.0
93.03385	27.0
95.04996	0.7
109.02849	6.9
111.04430	100.0
111.98457	1.1
113.96366	2.5
119.46426	0.6
123.33031	0.6
127.03912	2.9
128.93958	0.6
131.96129	2.6
131.97403	1.2
132.95807	5.0
137.02327	19.7
137.03375	1.3
149.97128	4.6
150.96864	10.3
155.03394	14.9
155.04628	1.2
155.06952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
52.74997	4.0
55.01864	43.8
55.05494	23.7
56.96546	6.5
57.03422	4.3
59.04986	5.0
67.05499	10.2
68.99750	6.9
69.03417	6.1
69.07057	10.2
70.87761	3.9
70.94237	11.6
71.04991	5.6
74.76804	4.3
79.05465	29.2
81.07040	9.3
81.83891	4.4
83.04974	100.0
83.08591	7.5
89.00218	6.6
93.07015	27.0
95.04922	6.9
95.08542	5.4
97.06508	34.1
98.00763	11.6
107.08574	19.6
109.10159	6.1
111.04412	8.8
111.08047	5.5
135.11690	17.5
148.97354	5.3
153.05600	5.6
153.12744	81.2
157.64189	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00292	3.2
53.03933	1.8
54.10067	1.4
55.01893	1.4
55.05506	16.5
56.14475	1.1
57.03433	1.5
57.07066	1.4
59.04983	8.1
65.03922	8.1
67.05488	7.9
68.96320	6.8
69.03422	2.0
69.07056	14.1
70.94243	12.7
70.95824	1.7
71.04977	45.0
73.06537	20.5
74.74213	1.2
79.05473	28.3
81.03381	2.4
81.07040	100.0
82.07316	1.4
82.41415	1.2
83.04958	2.6
85.10551	1.4
86.97356	2.0
88.95313	1.9
91.05461	11.0
93.07025	49.5
95.04936	6.2
95.08578	9.7
97.06493	7.0
98.00767	1.8
105.06969	1.4
107.04951	1.9
107.08582	36.1
109.06492	1.8
109.10130	11.3
111.04397	10.9
111.08067	2.9
111.96867	4.9
116.02152	1.3
125.05962	6.1
129.97906	2.2
130.96309	5.2
135.05453	1.6
135.08012	1.6
135.11673	33.8
144.96999	1.4
148.97339	17.4
153.05508	2.0
153.12718	21.7
171.98895	1.5
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	Lyratol
Peak:m/z	Relative Intensity
53.00300	3.1
53.03939	1.3
55.05505	17.5
55.38810	1.0
57.07061	7.0
59.04990	9.1
62.51504	1.2
65.73260	1.4
67.05482	6.9
67.43395	1.2
68.96301	2.1
69.07059	12.8
70.94232	2.8
71.04978	54.0
73.06547	19.1
79.05477	29.2
81.03407	1.6
81.07043	100.0
83.04961	1.7
83.08611	1.2
84.88528	1.3
91.05460	11.2
92.09343	1.3
93.07025	51.6
95.04940	5.0
95.08601	14.9
97.06525	16.7
105.07032	2.8
107.08591	42.3
109.06472	2.0
109.10127	11.3
111.08051	6.4
111.48765	1.5
119.05952	1.3
135.08046	2.1
135.11679	35.3
144.97495	1.3
148.97325	2.4
153.12735	24.0
174.80876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03953	0.5
55.05503	3.9
55.82407	0.5
56.96556	0.5
57.03416	1.0
57.07061	1.0
65.03933	2.4
67.05492	8.9
68.96330	0.7
69.03444	0.5
69.07055	8.0
70.94246	3.2
71.05001	0.7
71.94073	0.8
72.63787	0.6
77.03989	0.5
79.05476	7.9
81.03391	0.8
81.07035	10.9
83.04959	2.5
83.08613	2.1
88.95343	0.7
91.05472	9.8
93.07027	68.1
95.04929	4.0
95.08588	57.2
97.06525	4.7
100.51019	0.8
105.07033	3.4
107.08585	100.0
109.06516	2.4
109.10139	6.6
111.04437	2.4
111.08056	0.8
119.06034	0.8
125.06001	1.1
129.97894	0.9
134.55785	0.6
135.10645	1.4
135.11681	41.6
148.97359	1.4
153.09064	0.9
153.12735	12.7
153.13919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00300	2.4
53.03950	1.9
55.05505	15.3
55.31725	1.0
57.07064	1.1
58.68867	1.0
59.04981	6.0
67.05486	2.5
69.07051	12.7
71.04607	2.3
71.04978	47.3
71.48635	1.1
73.06542	25.3
77.59664	1.4
79.05475	23.6
81.07039	100.0
91.05451	7.6
93.07026	43.0
93.07629	1.2
94.07132	1.1
95.04954	2.9
95.08594	6.8
97.06513	6.7
105.07017	1.8
107.08576	33.2
109.10154	4.6
111.08071	1.9
120.59958	1.3
135.11668	33.2
148.97310	1.7
153.12718	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.0
53.03923	1.8
55.01842	1.9
55.05502	10.9
55.23524	1.8
59.04993	3.8
59.44617	2.0
59.84070	1.7
67.05491	2.8
69.07052	11.4
71.04971	45.3
73.06548	16.8
74.26899	1.7
79.05486	21.7
81.07039	100.0
82.41577	2.2
86.82188	2.1
91.05488	3.2
93.07021	40.9
95.08587	4.5
97.06541	3.0
107.08579	37.8
109.10128	3.7
135.11655	30.8
138.55209	2.1
141.05818	2.1
153.12717	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
50.35567	0.6
53.03930	4.1
58.25600	0.6
58.81310	0.8
63.57333	0.6
67.05504	0.8
67.81818	0.7
68.05016	3.2
76.54671	0.7
79.05462	6.4
80.05003	56.8
81.03410	0.9
81.05809	1.4
82.06549	5.9
83.04967	0.9
88.00463	1.7
94.06551	6.2
96.04486	0.9
96.08107	20.0
97.01013	1.2
97.06520	3.5
99.51247	1.6
105.34808	0.8
106.06546	19.3
107.04945	1.3
107.06622	0.9
107.07327	24.8
109.05243	8.4
124.07572	92.9
133.97429	0.7
152.07048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
53.25103	0.5
54.10732	0.3
55.05498	1.0
62.67618	0.4
65.03928	54.5
67.05497	0.9
69.03413	0.9
69.86037	0.4
70.94242	2.2
79.05474	3.4
81.03419	0.7
81.07030	1.0
83.04933	0.5
88.95272	0.5
91.05473	0.9
92.08667	0.9
93.03382	22.0
93.07019	3.2
95.04942	3.8
95.08608	1.1
97.06494	0.7
98.00749	0.9
107.04962	0.5
107.08580	4.4
109.06502	0.8
109.10139	0.8
110.03645	7.1
111.04430	100.0
111.08073	0.7
111.96835	0.6
121.02856	0.8
125.05973	45.6
125.09597	2.0
135.08025	0.8
135.11694	0.8
148.97345	1.1
153.05449	18.3
153.09088	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.53065	0.7
51.28058	0.8
53.00298	5.6
53.03942	1.4
55.05506	18.7
56.96540	0.9
57.03423	1.2
57.07080	1.0
59.04987	7.3
60.80725	0.7
65.03929	2.0
67.05492	4.6
68.96326	3.9
69.03432	1.6
69.07055	14.6
70.94250	6.0
70.95850	0.8
71.04977	39.4
72.63400	0.7
73.06538	24.3
73.96860	1.0
78.57538	0.8
79.05479	26.4
81.07040	100.0
83.04971	1.6
83.08580	1.1
86.97370	0.9
87.06326	0.8
88.71896	0.8
91.05473	10.4
93.07021	39.7
95.04944	3.7
95.08581	9.7
97.02881	0.8
97.06525	7.0
98.97541	1.2
105.07022	1.9
107.04945	1.9
107.08578	32.6
109.06503	1.3
109.10148	8.3
109.98932	0.9
111.04441	1.8
111.08070	2.0
123.56394	0.9
125.05952	1.5
125.09688	1.1
130.96313	3.7
135.08051	1.5
135.11682	29.1
136.07587	1.0
148.97330	9.8
153.05492	4.8
153.09149	1.7
153.12717	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	150.055
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03937	5.0
55.01873	3.1
56.18190	1.8
56.96552	11.6
57.03411	2.0
62.98323	2.2
65.03925	4.5
67.05490	25.7
67.93555	19.4
71.65862	2.5
72.93787	6.0
79.05473	3.4
81.03412	2.6
90.90387	3.1
90.94827	3.5
94.06537	69.4
94.07133	3.6
96.04436	3.9
105.07015	21.7
106.06532	17.9
122.05983	34.7
127.01530	13.1
140.95137	3.3
144.98253	3.3
150.02686	5.0
150.05460	100.0
150.06650	3.3
150.07661	3.4
150.09029	3.5
150.96854	4.2
168.06548	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Guanine
Peak:m/z	Relative Intensity
50.10075	0.3
56.96560	1.0
109.05109	2.1
110.03502	13.1
110.93957	0.4
128.04559	5.8
134.04567	1.0
134.05971	0.8
135.03001	16.3
136.01447	0.5
152.05655	100.0
153.04051	33.7
154.02397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94445	0.3
61.48219	0.3
65.03928	23.6
66.00405	0.3
66.68205	0.3
68.62601	0.3
69.90679	0.3
73.32869	0.3
90.56221	0.3
92.08740	0.4
93.03395	8.2
96.76354	0.4
98.03647	0.7
107.08498	0.4
111.04441	6.4
118.97284	0.4
121.02840	40.6
121.03947	9.6
134.00040	0.3
135.06897	0.3
149.02324	100.0
150.02628	0.6
156.36896	0.4
167.03406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91930	0.4
54.50550	0.3
55.01857	0.4
65.03930	24.1
69.78955	0.3
79.08171	0.3
93.03397	6.7
98.03671	1.5
111.04435	7.1
121.02847	36.3
121.03957	9.1
129.91417	0.4
149.02332	100.0
150.02640	0.6
154.53300	0.4
167.03340	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	149.0598
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
52.45222	0.3
52.68426	0.3
53.03931	0.5
54.38846	0.3
55.01869	0.7
55.36143	0.3
64.33488	0.3
65.03934	1.7
70.75546	0.3
71.89097	0.3
76.44828	0.3
79.05463	1.7
84.09566	0.3
85.28560	0.3
86.93095	0.3
91.05462	0.4
93.07024	0.7
95.04960	1.8
103.05456	71.5
105.07009	0.4
107.04951	0.6
114.37036	0.4
121.02853	2.4
121.03934	0.4
122.75549	0.4
131.04913	100.0
149.02350	5.6
149.03439	0.6
149.05984	0.7
149.09634	1.4
149.13239	0.5
151.03955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05503	7.4
56.47533	1.9
65.03923	4.5
67.05499	44.3
67.93546	2.0
69.07053	13.0
79.05474	33.6
81.07041	100.0
83.08624	3.0
91.05471	9.3
93.07029	45.6
95.04938	2.0
95.08595	10.6
101.83830	1.9
105.07054	1.9
107.08592	44.9
111.04393	2.9
120.15495	2.1
121.02866	10.8
121.03914	1.6
121.10159	17.6
135.99388	1.9
149.02312	24.7
149.13252	84.1
168.61290	1.9
169.86125	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	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.81585	0.3
56.04788	0.4
56.05030	5.2
60.04501	0.3
67.59940	0.2
76.90369	0.2
81.18783	0.2
84.04491	100.0
84.08125	0.3
85.02901	3.1
88.03979	1.1
91.23647	0.3
92.09360	0.3
102.05521	20.4
130.04979	15.9
131.03357	0.4
148.06029	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	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00109	0.2
55.01857	0.4
57.24923	0.2
62.39351	0.2
65.03931	22.0
76.11542	0.2
79.05495	0.2
93.03391	7.5
93.07039	0.5
98.03658	0.9
111.04424	6.6
120.06024	0.2
121.02845	35.3
121.03958	9.1
121.10149	0.3
149.02328	100.0
150.02701	0.4
167.03360	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	147.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73132	0.6
55.01859	1.2
57.03423	3.0
57.58877	0.6
59.04979	1.3
61.02916	7.6
64.71823	0.7
65.03931	5.6
69.03413	30.3
80.19191	0.7
83.04964	3.8
84.04475	6.6
84.08155	0.9
85.02861	0.7
87.04445	13.7
91.05460	86.8
91.87408	0.6
101.06001	1.5
109.54362	0.7
111.04446	1.0
119.04921	100.0
123.96470	1.1
130.04959	1.1
140.39774	0.7
147.04388	76.9
147.06416	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.31084	0.9
53.03937	1.8
55.05505	24.1
55.49566	1.1
63.51290	1.2
64.92781	7.0
67.05499	2.5
69.03413	6.0
69.07040	5.8
79.05482	9.1
81.07035	1.7
81.20313	1.0
82.42989	1.0
83.04953	1.7
83.63824	1.0
91.05461	50.8
93.07026	5.6
103.05439	4.8
105.07011	95.8
107.04937	5.2
107.08555	2.3
110.09909	1.2
117.06991	11.7
119.04935	10.4
119.08558	100.0
123.96439	19.2
129.06979	2.1
131.79689	1.2
132.05675	1.9
132.09312	4.7
145.10091	7.8
147.04449	9.3
147.05460	2.2
147.08032	30.3
147.11668	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.40144	0.4
60.64738	0.4
65.03928	5.2
69.07059	0.6
89.57273	0.5
91.05459	86.2
113.12684	0.4
115.22003	0.4
119.04918	100.0
147.04387	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.78157	0.5
51.04247	0.5
54.81660	0.7
55.05494	0.9
64.92802	1.0
65.03929	5.1
69.03410	2.6
69.72156	0.6
83.04967	0.9
85.02881	0.9
87.83478	0.6
91.05469	86.9
105.07076	2.7
111.04388	0.7
114.37421	0.7
119.04930	100.0
119.08556	5.3
123.96450	3.6
147.04404	71.9
147.09164	0.7
147.11684	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.87373	0.5
60.88914	0.5
64.32946	0.5
65.03931	7.3
69.03384	0.7
78.78728	0.6
79.35283	0.6
91.05467	83.6
92.09292	0.8
119.04928	100.0
145.35939	0.8
147.04402	72.6
163.45325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81598	0.5
56.77764	0.4
58.61828	0.4
59.71455	0.4
68.87151	0.4
69.43389	0.4
75.12873	0.5
82.99866	0.5
92.09208	0.8
101.00859	20.4
101.01511	0.9
118.40462	0.5
119.01898	100.0
120.01984	0.8
120.24153	0.5
124.02404	0.9
137.02928	35.7
142.03481	31.6
160.04521	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
50.67438	0.6
53.03936	3.2
55.01630	0.9
55.01869	19.6
57.03176	0.9
57.03432	17.7
59.04992	0.7
61.02911	4.0
67.27689	0.6
69.03418	52.0
71.01355	0.9
71.04968	4.8
73.02895	3.2
75.77119	0.6
76.10508	0.7
81.03407	5.6
83.08605	1.1
85.02893	100.0
87.04444	1.8
95.01292	1.0
97.02891	14.2
99.03827	1.3
99.04439	24.2
99.09997	2.6
99.32790	0.7
109.02891	1.4
116.00695	0.8
127.03902	10.8
129.55681	0.8
145.04903	5.5
145.10503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03943	10.1
55.01865	16.9
55.05507	2.3
56.96546	2.1
57.03429	20.9
59.04989	11.4
61.02917	10.1
62.92979	1.2
69.03416	66.1
69.25529	1.0
71.01351	2.3
71.04968	16.2
73.02901	2.2
76.55795	1.1
81.03400	14.7
83.01326	1.6
83.08600	6.9
85.02890	100.0
90.23409	1.0
92.09216	1.8
97.02864	23.0
99.04436	53.5
109.02846	4.6
121.96576	1.3
127.03883	21.3
139.01808	1.6
145.04944	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.32142	0.5
65.03931	8.0
67.48142	0.6
69.03408	0.7
88.76998	0.7
89.39547	0.8
91.05457	83.0
98.98102	0.6
109.41750	0.6
119.04915	100.0
123.72153	0.6
147.04382	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.78366	0.7
57.93916	0.8
65.03926	6.5
65.82167	0.7
68.99760	3.9
69.03400	1.6
70.86464	0.6
71.09033	0.7
75.04535	0.6
78.65011	0.7
84.04469	5.9
84.08102	0.8
85.02892	1.1
86.06037	1.0
86.29128	0.8
87.00817	1.4
87.04427	1.8
88.04766	1.0
91.05461	79.1
92.71799	0.8
119.04919	100.0
129.01797	1.7
130.04950	1.0
146.09181	1.1
147.04391	72.8
147.09566	1.4
147.57767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59245	0.6
53.03938	1.5
55.01852	2.8
55.05509	9.5
55.45494	0.7
55.84462	0.7
57.03421	3.7
57.07071	0.7
64.34061	0.7
65.03923	4.0
67.05490	78.9
67.66210	0.6
69.03410	4.2
69.07053	7.9
77.03875	0.7
79.05479	11.4
81.03381	4.0
81.07040	31.5
84.06816	0.7
85.52362	0.7
85.84016	0.7
91.05461	36.7
93.06428	0.8
93.07014	24.5
94.04177	6.5
95.04395	1.1
95.04950	19.6
95.08584	23.7
105.07005	9.0
107.04929	4.0
107.08574	86.0
108.05723	1.4
109.06499	76.2
109.10140	92.2
117.07011	3.4
119.06036	4.7
119.08556	35.2
122.03633	10.0
122.07285	1.6
124.53451	0.6
127.07482	1.3
135.08090	1.0
137.02379	7.8
137.03365	1.1
137.05966	30.8
137.09592	100.0
138.78943	0.8
157.80725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03942	3.7
55.01850	3.2
55.05505	11.0
57.03419	2.1
65.03935	4.3
65.50617	2.4
67.05141	4.2
67.05495	97.6
69.03405	6.2
69.07036	12.0
71.08047	2.7
72.43524	2.5
79.05459	15.3
81.07027	38.1
86.10052	2.5
91.05465	40.2
92.43102	2.5
93.07034	22.8
94.04156	14.3
95.04974	19.8
95.05456	2.6
95.08583	32.3
95.62666	3.2
99.40375	3.1
105.06973	10.1
107.04910	3.6
107.08583	84.7
109.02888	2.8
109.06516	68.6
109.10149	92.8
109.99959	2.8
119.08553	31.4
122.03645	25.1
122.07242	3.1
137.02396	20.7
137.05954	70.0
137.08653	4.6
137.09605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03928	0.6
58.04108	0.3
65.03925	0.5
66.04710	2.5
67.05486	0.4
78.74678	0.3
79.05473	2.0
81.03394	0.9
81.07030	2.2
88.19495	0.3
88.31057	0.3
91.05450	1.8
94.04167	18.7
95.04964	0.5
95.08593	0.7
95.14844	0.4
107.04914	0.6
119.04857	0.3
122.03625	38.8
135.04494	0.3
137.02327	2.4
137.05954	100.0
138.06331	0.5
154.88890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.16992	1.6
55.05496	12.0
58.06557	1.6
65.03912	1.9
67.05148	2.6
67.05494	70.8
67.56776	1.7
69.03407	4.1
69.07047	9.5
75.28396	1.7
76.57007	2.4
79.05472	10.8
80.69411	1.8
81.03407	17.1
81.07031	34.8
91.05462	41.1
92.08601	2.4
93.07033	28.8
94.04169	4.6
94.43749	2.1
95.04928	19.7
95.08602	22.4
105.07017	4.6
107.04933	2.6
107.08583	76.7
109.02894	2.5
109.06510	70.0
109.10142	85.9
119.06055	3.1
119.08574	37.7
122.03682	15.8
122.07285	7.6
127.03895	2.9
137.02339	38.1
137.03435	13.0
137.05952	42.4
137.09601	100.0
159.78865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03929	1.1
53.64933	0.4
55.01877	0.7
55.93519	1.0
56.96546	0.8
66.04697	0.8
67.05486	0.6
69.03437	0.4
79.05469	3.9
80.50986	0.5
81.03412	7.0
81.07042	2.8
91.05470	9.8
92.08736	0.5
92.84779	0.5
93.07027	1.0
94.04171	17.0
95.04951	1.2
95.08578	0.8
107.01276	0.8
109.02864	1.1
109.06489	1.1
114.37077	0.6
119.04904	3.1
121.06603	0.5
122.03629	36.0
127.03909	2.3
137.02333	16.7
137.03436	6.2
137.05957	100.0
138.06384	0.6
144.98172	0.5
146.96074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.03763	0.2
53.03926	1.8
55.01855	1.4
65.03915	0.3
66.04695	1.8
67.05495	1.0
79.05470	2.3
81.03400	6.9
81.07050	2.1
91.05459	2.9
93.07046	0.4
94.04163	18.3
95.04957	0.5
95.08587	0.6
107.01294	1.1
107.04962	0.5
109.02854	1.6
109.06469	0.6
114.36925	0.3
122.03621	37.2
127.03893	3.3
137.02322	22.2
137.03450	7.7
137.05952	100.0
137.09572	1.2
138.06279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01851	0.4
56.95529	0.4
56.96556	0.8
66.04701	3.0
66.78608	0.4
66.95607	0.4
67.05476	0.5
79.05468	2.5
81.07034	0.9
83.86022	0.5
88.92606	0.5
91.05466	2.7
94.04169	17.7
95.04969	0.6
102.82966	0.5
109.06492	1.1
109.10175	0.6
109.84821	0.6
119.04900	0.7
121.85152	0.4
122.03627	39.1
123.03982	0.7
129.35977	0.4
137.02388	1.2
137.05956	100.0
137.10698	0.8
138.06339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05501	10.2
67.05495	59.0
71.02965	30.2
71.52996	5.2
73.31960	4.7
79.05479	49.8
80.03487	12.3
81.07034	28.1
82.53772	8.3
85.66409	4.5
91.05444	36.9
93.05295	4.9
93.07025	96.0
95.04929	6.3
100.00612	8.3
107.08594	72.8
120.52351	5.6
135.06642	5.3
135.08089	7.4
135.11673	100.0
136.02151	48.5
136.06169	31.4
136.61877	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.2
67.05495	59.0
71.02965	30.2
71.52996	5.2
73.31960	4.7
79.05479	49.8
80.03487	12.3
81.07034	28.1
82.53772	8.3
85.66409	4.5
91.05444	36.9
93.05295	4.9
93.07025	96.0
95.04929	6.3
100.00612	8.3
107.08594	72.8
120.52351	5.6
135.06642	5.3
135.08089	7.4
135.11673	100.0
136.02151	48.5
136.06169	31.4
136.61877	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
63.88066	0.1
67.02962	0.1
68.66288	0.1
82.98045	0.1
86.03233	0.1
92.02483	0.2
94.04028	2.0
109.05120	0.5
109.29991	0.2
111.44482	0.1
112.05054	0.2
119.03529	6.4
134.48886	0.1
136.06169	100.0
137.04572	5.4
137.05362	0.1
137.06453	0.2
141.39087	0.1
147.08734	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.01856	4.4
64.05299	0.8
66.13702	0.7
71.01336	1.3
73.21339	0.8
81.03391	29.4
81.07035	1.9
91.05481	1.1
94.04153	1.2
95.08622	0.9
105.98549	0.8
107.01301	5.1
109.02855	6.6
122.03623	4.4
127.03876	17.4
133.21526	0.9
137.02315	100.0
137.03427	41.3
137.05910	17.5
137.09557	1.9
158.28737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37356	0.8
53.03930	6.0
54.90614	0.9
55.01857	5.3
55.05490	1.9
59.12698	1.0
67.05486	5.0
71.01341	1.2
73.55311	1.1
78.97900	1.2
78.98399	1.0
79.05492	2.0
81.03406	28.4
81.07042	8.7
88.19424	1.0
91.05464	6.7
93.07004	1.4
93.15678	1.1
94.04180	8.2
95.04967	4.8
95.08570	6.4
107.01312	5.5
109.02873	7.7
109.06461	3.6
109.10143	2.2
122.03624	17.9
127.03912	12.5
137.02327	100.0
137.03438	35.7
137.04526	2.1
137.05939	52.2
137.09546	9.1
137.13235	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
60.23732	1.7
66.04728	1.8
66.63207	1.8
67.05490	2.5
81.07035	3.4
84.31596	2.3
94.04170	24.3
97.88892	2.5
105.06356	1.9
122.03625	38.7
126.52894	2.2
137.05960	100.0
145.17368	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
54.11156	0.8
61.27470	0.9
63.26282	0.8
73.47392	1.0
76.56319	0.9
79.05473	1.9
88.02194	6.2
89.00237	4.7
91.05471	11.2
91.29224	0.8
93.07020	2.1
93.50180	1.1
94.37745	1.1
98.00745	8.4
99.34340	0.9
105.07012	32.4
115.05443	3.8
117.07014	1.8
117.95946	1.9
118.07761	4.2
131.08527	5.5
133.06522	2.0
133.10109	100.0
151.01686	1.0
151.48248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.50406	0.6
53.03916	1.0
55.05512	6.2
57.07077	1.0
57.53548	0.8
64.34828	0.8
67.05493	1.9
69.07037	1.6
71.33771	0.8
73.78827	0.7
79.05483	13.7
81.07048	1.4
91.05461	31.6
92.09344	0.9
93.07028	48.0
95.04936	6.8
105.07020	17.2
107.08580	100.0
109.06526	6.3
116.69337	0.9
119.06071	2.1
119.08544	9.5
120.09327	3.7
125.20142	0.9
135.11671	53.1
135.53925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	2.8
55.05505	12.7
59.08184	2.3
67.05492	55.5
69.07052	11.4
71.02982	5.8
71.57613	2.8
79.05471	57.6
80.03494	11.3
80.79369	2.6
81.07027	33.8
82.53750	3.3
88.05786	3.8
91.05458	25.1
92.09281	3.1
93.07024	100.0
95.04950	11.2
102.79680	2.4
104.84757	2.7
105.07005	3.1
107.08578	59.8
109.06496	3.3
134.99695	3.3
135.04433	3.8
135.08070	14.9
135.11667	94.7
136.02130	30.6
136.06194	12.1
142.84207	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	133.086
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
53.00294	0.8
53.03944	0.5
55.01865	1.5
55.05509	3.6
56.96553	1.7
57.03418	0.4
57.41239	0.3
57.78227	0.3
67.05497	1.9
69.03413	0.6
69.07056	100.0
69.29956	0.3
70.07355	0.3
71.04964	0.4
72.50200	0.3
72.93802	0.6
73.02907	0.6
73.06538	19.3
77.19735	0.3
79.05478	6.8
87.10031	0.7
88.02200	4.5
89.00258	0.7
90.94841	0.4
91.05431	0.6
92.64230	0.4
97.02889	0.4
97.06508	10.8
98.00741	1.8
99.00624	0.4
105.07027	1.9
115.07553	6.4
117.03773	0.4
117.95953	0.5
129.81796	0.4
133.06476	2.0
133.10088	0.6
135.96986	0.5
150.96906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.96554	0.6
69.03399	0.6
72.60348	0.5
73.02941	0.5
79.05479	3.9
80.79523	0.5
85.99464	0.6
87.10037	0.7
88.02209	3.4
89.00231	2.5
91.05473	10.9
93.07034	3.0
95.04955	0.8
98.00762	4.3
99.00616	0.9
100.51031	1.2
103.05426	2.3
105.07021	42.1
107.01262	0.8
115.05436	3.4
117.07010	3.6
118.07796	4.6
120.11610	0.6
131.08533	4.8
133.06474	3.1
133.10120	100.0
134.10524	0.8
135.96986	0.7
136.71228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03943	0.7
54.81585	0.5
55.05509	0.8
56.96558	0.6
67.05511	0.5
69.03419	1.1
79.05487	4.8
88.02188	5.5
89.00249	2.2
91.05467	11.5
93.07023	2.7
95.04934	0.7
97.87996	0.5
98.00761	4.7
100.50990	1.1
103.05447	2.6
105.07015	44.4
110.83031	0.6
115.05429	3.0
117.07056	3.9
117.95950	1.0
118.07759	3.9
131.08524	5.4
133.06499	3.7
133.10109	100.0
152.88266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Leucine
Peak:m/z	Relative Intensity
67.12758	0.3
69.03547	0.2
69.07062	0.6
86.09693	100.0
87.10025	0.6
92.63712	0.3
119.02015	0.3
132.10193	2.3
132.90805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03930	0.7
54.55088	0.4
55.01871	4.4
56.96555	0.5
63.24302	0.4
68.02449	0.5
69.03402	0.6
69.07041	2.4
77.03900	0.5
79.05476	10.4
80.34961	0.5
84.02190	0.4
88.02198	2.7
89.00223	0.5
90.35651	0.4
91.05455	1.9
94.25439	0.4
95.04955	3.9
98.00755	1.9
101.63223	0.5
103.05444	8.0
105.07015	85.0
107.04964	1.0
115.05437	4.9
115.71080	0.5
118.37402	0.4
131.04938	2.3
131.42847	0.4
133.06468	100.0
134.06720	0.6
150.96893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.086
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
53.03928	1.1
55.01866	1.3
55.05491	2.9
56.96542	1.1
57.03403	0.9
59.04980	0.8
59.99098	0.8
67.05493	2.0
69.03411	3.5
69.07054	100.0
70.07352	0.8
71.01336	0.7
72.93759	1.0
73.02905	0.8
73.06155	0.8
73.06537	16.4
73.93845	0.7
74.93807	0.9
76.56252	0.4
79.05469	5.7
88.02197	9.2
89.00260	1.0
89.38734	0.7
93.07706	0.6
97.02867	1.0
97.06513	9.9
98.00744	4.1
99.00611	0.8
105.04533	0.6
105.07004	3.5
106.03271	0.9
106.93860	0.6
115.07572	6.8
115.96415	0.8
116.39937	0.6
117.95937	0.7
133.06480	0.9
133.10078	1.3
134.06296	3.2
150.96896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07431	0.3
51.09643	0.3
53.03925	0.8
55.01860	2.0
55.05511	0.4
56.42023	0.4
56.96561	3.4
57.03431	7.3
57.07065	1.0
60.04527	0.5
60.05628	0.5
62.20450	0.4
67.05489	2.5
68.04968	0.4
68.95254	1.9
69.03404	4.8
69.07049	0.9
69.10417	0.4
70.03733	2.0
71.01336	2.3
71.04967	6.4
72.08137	2.5
72.93777	1.7
73.02895	0.4
73.27786	0.5
76.51578	0.9
77.49284	0.4
82.76104	0.4
84.08107	0.6
85.01102	2.0
85.02888	12.4
85.04826	0.8
85.06538	3.3
85.08477	0.7
85.52091	0.5
86.06080	0.5
87.00421	3.5
88.00456	4.1
88.02340	1.7
89.02366	0.8
90.32140	0.4
92.64294	0.4
95.04948	5.4
96.00953	0.5
97.00984	7.6
97.02894	0.5
99.51266	1.9
102.04640	0.6
103.05450	100.0
105.04530	1.8
106.01492	0.5
107.01715	0.4
108.51814	0.7
112.07585	2.0
113.02349	11.1
113.05984	2.6
113.07941	8.3
113.96458	0.4
115.96430	1.9
119.01831	0.5
126.18526	0.4
130.15891	0.5
131.03406	5.4
131.04924	2.4
131.05977	0.9
131.06911	0.7
131.08998	3.6
131.97430	0.8
132.09338	0.4
133.97455	1.0
135.22574	0.4
138.98071	0.4
139.84918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.23996	0.2
56.96561	0.3
57.03441	0.2
57.25959	0.2
58.06586	0.2
58.30467	0.2
63.92076	0.2
69.03414	0.5
69.07056	10.6
73.02882	0.2
73.06551	0.3
75.11368	0.2
81.56311	0.2
85.02882	0.3
86.03235	0.9
86.09694	100.0
87.10015	0.5
92.05486	0.2
97.02867	0.2
100.02440	0.2
102.02356	0.2
118.03531	0.3
119.01949	0.3
121.95232	0.2
132.10213	1.9
132.11169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
50.32111	0.4
56.05017	0.5
57.07069	32.2
74.09701	27.3
84.04496	5.9
87.00443	2.8
87.42169	0.4
112.07589	4.2
113.60898	0.5
113.96372	0.8
130.06503	3.5
130.08621	1.1
130.15898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.74092	0.2
53.03933	1.7
55.01846	0.3
55.05490	0.5
56.96565	2.1
57.03425	0.6
57.07064	0.6
57.19517	0.2
57.33183	0.3
57.34307	0.2
60.04494	0.7
61.01140	0.2
67.05482	0.6
67.51040	0.3
71.04975	1.1
72.93761	1.5
74.09710	0.4
76.28567	0.3
76.51569	1.5
76.56301	0.3
85.02885	2.4
85.04842	0.6
85.52077	1.7
87.00447	9.3
87.50577	0.6
88.00475	7.0
88.02364	2.5
95.04958	3.9
95.08584	0.4
95.52664	0.3
96.00980	2.7
97.00984	11.5
97.02865	0.5
98.51238	1.3
99.51247	3.0
103.05451	100.0
105.04485	1.4
106.01502	1.8
108.51787	1.2
113.02352	0.6
113.07945	0.7
113.96382	3.1
115.02031	0.4
115.96442	2.4
116.97203	0.5
130.15807	0.4
131.03348	1.1
131.04913	20.0
131.08658	0.3
131.16229	0.4
131.97411	3.2
133.17474	0.3
133.97455	2.1
134.25401	0.3
138.98125	0.5
146.05388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01852	0.3
55.05528	0.3
56.96559	1.4
57.03428	0.4
67.05526	0.3
69.03439	0.3
69.84772	0.3
71.04984	0.3
72.93768	0.5
76.51575	0.8
77.03945	0.4
85.02879	0.5
85.04801	0.4
87.00454	4.3
88.00449	3.2
88.02354	1.8
95.04937	5.0
95.08572	0.5
96.00984	1.5
97.00977	5.8
97.02897	0.6
99.51239	0.7
102.04686	0.6
103.05448	100.0
105.04488	0.7
106.01505	0.4
108.51796	0.4
113.09595	0.5
113.96374	1.7
115.96429	1.8
128.02275	0.4
130.15877	0.6
131.04904	20.5
131.97400	1.3
133.97437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
50.09174	0.5
56.05036	5.8
56.52227	0.5
56.96552	2.7
57.03423	3.4
60.05628	0.9
67.05486	3.0
67.25165	0.7
69.03072	1.2
69.03423	24.1
69.07047	3.3
70.06583	68.0
71.04977	7.1
82.06583	0.7
84.04495	100.0
84.08134	76.4
85.02895	10.7
85.08440	0.6
92.09228	0.9
95.04924	1.0
98.97596	1.2
112.07594	84.5
112.08704	9.3
113.02347	0.9
130.04982	14.8
130.06523	1.7
130.08627	56.0
130.09642	3.4
130.12231	0.8
130.15947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
50.46668	0.6
53.00301	1.4
53.03940	23.1
55.01867	13.3
57.03416	3.0
58.52567	0.8
61.46961	0.8
63.21942	0.7
69.03416	100.0
71.04974	5.2
81.03401	57.7
81.04458	1.0
83.01303	1.7
84.96769	0.8
85.02874	3.3
97.02867	11.7
98.03632	1.0
99.04432	14.0
109.02864	85.1
118.63092	0.7
127.03896	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	127.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35700	0.8
53.00311	1.0
53.03944	20.3
55.01868	10.8
55.05494	1.6
56.96560	1.3
57.03420	4.4
57.18070	0.7
61.07328	0.7
67.93558	6.7
69.03419	100.0
69.39735	0.8
71.04973	8.8
73.96325	0.8
79.05466	1.1
81.03406	66.9
81.07045	4.8
83.01334	3.2
84.08112	0.9
85.02882	4.0
85.06525	1.9
97.02868	22.1
97.37991	0.8
98.98451	71.8
99.04434	19.1
109.02871	70.8
109.06506	1.0
116.48210	1.0
116.99501	1.9
118.66252	0.9
127.03909	34.8
127.04914	1.8
127.07516	1.6
138.51357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90118	0.1
53.00301	0.2
56.05030	4.0
57.03425	0.3
60.24105	0.2
67.05488	0.4
69.03416	10.1
69.07058	1.5
70.06580	2.5
71.01373	0.2
71.04975	0.8
82.06561	0.4
84.04491	100.0
84.08128	23.5
84.08652	0.2
85.02892	0.7
85.04839	0.2
93.68272	0.2
94.49339	0.2
102.05508	0.9
111.68282	0.2
112.07589	37.3
113.02348	0.3
113.53110	0.2
130.04980	12.9
130.06532	0.7
130.08617	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	130.0499
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
50.90118	0.1
53.00301	0.2
56.05030	4.0
57.03425	0.3
60.24105	0.2
67.05488	0.4
69.03416	10.1
69.07058	1.5
70.06580	2.5
71.01373	0.2
71.04975	0.8
82.06561	0.4
84.04491	100.0
84.08128	23.5
84.08652	0.2
85.02892	0.7
85.04839	0.2
93.68272	0.2
94.49339	0.2
102.05508	0.9
111.68282	0.2
112.07589	37.3
113.02348	0.3
113.53110	0.2
130.04980	12.9
130.06532	0.7
130.08617	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	124.0758
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03928	2.5
53.05001	0.5
60.95822	0.7
69.07053	1.2
80.04999	82.2
81.05790	0.7
83.73537	0.7
91.26239	0.6
94.06557	1.3
96.04469	0.9
96.08109	6.3
106.06522	1.1
109.05238	0.6
119.01868	0.9
120.05747	0.6
124.07567	100.0
143.61089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
60.95847	2.8
69.50726	0.4
79.05467	0.5
80.05000	90.0
81.01485	0.9
81.05795	0.9
88.52498	0.6
90.02026	3.6
93.05752	0.9
94.06555	0.7
96.04461	1.9
96.08092	0.8
99.78257	0.4
106.06526	1.9
106.54024	0.4
119.01907	2.5
124.03922	2.2
124.07571	100.0
137.02937	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	124.0758
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.90601	0.4
53.03929	3.0
60.94580	0.4
60.97171	0.4
61.96371	0.4
62.43731	0.4
62.72805	0.4
76.94852	0.5
80.05002	86.4
81.05789	1.9
89.72033	0.4
90.01990	0.9
93.05743	1.2
94.06567	0.9
96.04478	0.7
106.06548	2.7
124.07575	100.0
125.33039	0.4
128.81157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0758
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
52.94974	0.3
53.03939	2.5
60.95845	1.4
73.57067	0.3
80.05001	85.5
81.05798	1.7
85.68278	0.3
90.01999	2.0
92.64899	0.3
93.05779	1.5
94.06540	0.6
96.04477	0.7
96.08125	0.6
99.02512	0.4
101.00848	0.3
106.06550	1.8
119.01930	1.2
124.07573	100.0
129.30574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.03038	0.3
54.08966	0.3
56.96565	0.3
60.95838	2.3
64.33256	0.4
78.51183	0.4
80.01646	0.3
80.05000	83.3
81.01481	1.7
81.05785	1.8
90.01988	1.7
93.05770	0.8
94.06529	0.9
96.04455	1.6
96.08099	1.6
106.06546	2.2
107.21759	0.3
119.01888	0.6
124.07568	100.0
140.84427	0.3
143.01645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.71625	0.2
53.03943	0.2
56.96564	0.6
59.86655	0.2
62.34573	0.2
78.03434	0.4
78.30904	0.3
79.01845	0.3
80.05002	21.9
88.02341	1.4
95.04962	2.0
96.04465	5.8
106.02900	1.6
116.12093	0.2
123.05534	100.0
124.03922	1.7
124.05883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34806	0.5
81.03755	0.6
82.99847	0.7
94.49892	0.5
100.02456	2.2
101.00865	20.0
101.02530	4.7
118.03470	0.9
119.01904	100.0
119.03661	2.9
137.02934	45.7
142.03453	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	124.0758
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
52.02865	0.4
53.03939	2.1
71.51746	0.4
79.15247	0.4
80.04999	84.8
80.54157	0.4
81.05354	0.5
81.05785	0.9
94.06536	1.6
96.04462	0.7
96.08102	2.0
106.06535	2.2
119.01886	2.3
124.07571	100.0
137.02937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0758
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
52.17738	0.3
53.03953	2.9
54.82306	0.4
56.96564	0.8
60.95842	3.1
68.80882	0.3
69.50703	0.4
80.05001	87.4
81.01488	2.2
81.05798	0.7
82.93476	0.3
89.02163	0.7
90.01991	4.2
92.09287	0.5
93.05775	0.6
94.06539	0.9
96.04498	1.5
96.08118	0.7
97.31123	0.3
106.06534	2.2
118.99311	0.3
119.01916	1.4
124.03944	1.4
124.07571	100.0
137.02950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0704
Annotation	5-Hydroxypentanoate
Peak:m/z	Relative Intensity
50.33654	0.4
53.03944	1.1
54.72435	0.4
54.81999	0.6
55.05506	100.0
55.83813	0.5
56.96567	0.9
57.03429	2.6
59.04991	68.7
60.04509	2.3
65.03919	1.1
68.95271	5.3
73.02907	0.9
73.06551	3.4
73.08475	0.7
83.04468	1.1
83.04967	32.3
91.05463	23.1
92.05018	1.0
101.06000	42.0
105.53650	0.5
119.01916	4.2
119.03461	0.7
119.04947	3.2
119.06044	8.4
119.06841	0.7
119.08535	5.4
120.05544	0.6
137.02946	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
60.04514	0.9
65.03924	2.3
71.37720	0.4
72.51552	0.5
79.05474	8.3
85.52898	0.5
91.05462	100.0
92.04977	0.5
92.09313	1.8
93.07015	3.3
95.04961	3.1
102.04675	0.5
103.05443	6.4
104.06238	5.8
109.06589	0.6
115.05473	2.3
117.06998	25.2
119.06087	5.2
119.08559	78.6
120.05539	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	0.9
65.03931	1.0
65.90118	0.7
78.52893	0.8
78.92723	0.7
79.05477	7.9
84.12173	0.8
87.53458	1.1
91.05467	100.0
93.07018	1.4
103.05435	6.7
104.06236	6.2
115.05450	3.1
117.06998	21.6
119.06111	8.2
119.08566	85.6
120.04419	0.8
120.05563	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04471	1.8
55.15848	1.9
56.49184	1.9
56.96559	4.5
58.99854	3.9
63.78417	2.1
73.84409	1.8
79.01845	2.4
82.01427	16.9
88.02378	13.0
93.91553	2.5
100.02468	100.0
113.62837	2.3
114.43573	2.1
118.03511	77.5
119.01900	2.5
137.02852	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03937	0.2
55.05507	14.3
57.05817	0.8
58.06602	0.7
59.04987	0.2
59.07383	0.8
70.06556	0.1
72.08141	100.0
73.08464	0.2
80.21223	0.1
88.02341	0.2
101.05968	0.1
118.08635	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99911	1.3
65.37846	0.8
66.35806	0.8
68.95265	4.3
81.98167	0.9
96.29437	0.8
100.02491	1.0
101.00855	14.1
101.02538	8.5
117.62887	0.9
119.01904	100.0
119.03636	5.5
126.87468	0.8
135.75793	0.9
137.02940	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	1153.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
93.08000	1.3
107.04948	2.0
119.04942	1.8
123.04408	19.0
127.03899	10.8
135.04385	18.1
137.02325	13.1
139.03888	15.5
147.04390	2.7
149.02338	7.7
151.03888	7.0
153.01813	5.4
159.04457	1.9
161.05956	2.4
163.03871	17.7
169.28975	1.3
173.06001	2.4
177.05463	1.4
179.03358	1.6
185.06006	1.3
193.89778	1.3
197.05858	1.4
199.03819	1.2
201.05476	3.0
203.03416	5.4
213.05365	2.3
220.65865	1.2
229.05035	2.9
231.06410	11.3
241.05063	2.0
243.06403	1.5
245.04431	5.7
247.05885	19.2
257.04343	11.9
259.05994	11.3
269.04413	6.2
271.05984	7.8
283.05954	2.6
287.05447	100.0
288.05609	1.4
289.07117	3.1
299.05359	6.2
301.07022	2.8
306.25583	1.4
307.06256	1.3
311.05392	2.0
337.07126	2.1
373.06870	2.2
377.06607	2.5
389.06454	2.6
403.08209	2.3
407.07257	5.8
409.08948	3.0
413.08331	2.4
425.08887	2.4
449.08743	2.4
533.10492	12.2
557.10632	2.9
575.11798	9.6
661.50146	1.5
693.11639	2.2
695.13458	7.7
711.12671	6.0
713.14471	6.3
863.17554	1.7
1020.40991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03393	4.5
83.04955	0.7
85.02905	0.5
87.89072	0.5
89.03890	6.1
91.05457	2.3
93.03378	1.2
95.04978	3.9
99.04413	1.0
103.05434	2.0
105.03362	1.0
107.04943	8.1
109.02892	4.7
111.00782	12.2
111.04427	11.5
112.53591	0.5
115.05450	2.3
117.03348	2.8
119.04919	2.9
121.02841	3.9
121.06507	0.5
123.04406	70.7
124.04689	0.6
127.03892	79.5
128.04266	0.7
129.06981	0.7
131.04883	3.8
133.06467	0.6
135.04395	76.5
136.04762	0.6
137.02310	6.7
137.05942	1.9
139.03885	45.6
141.07027	0.8
143.04918	1.0
145.02802	2.2
145.06502	1.9
147.04385	10.3
149.02327	11.2
149.05930	3.4
150.03139	0.9
151.03885	14.7
153.01782	0.6
153.05435	0.8
153.06944	0.6
155.04887	2.6
157.06476	2.2
159.04366	5.7
161.02295	0.7
161.05962	5.7
163.03871	64.5
164.04323	0.8
165.01891	0.8
165.05469	4.3
165.06758	0.8
167.03381	5.7
169.05063	0.6
169.06474	2.4
171.04335	0.5
173.05956	6.4
175.03908	5.3
175.07523	1.0
177.01923	0.6
177.05426	10.1
179.03369	10.8
181.04913	2.3
181.06331	1.4
183.04376	2.8
185.05940	2.6
187.03806	9.3
187.05254	0.5
187.07497	0.8
189.01875	0.6
189.05435	4.3
190.02579	0.7
191.03366	16.2
192.35779	0.5
193.04907	3.3
197.05957	5.1
199.03958	1.1
201.05420	13.4
203.03372	18.3
203.07106	4.1
204.28087	0.5
205.04910	4.5
207.02744	0.5
207.06480	0.9
209.05936	0.9
213.05412	5.9
215.03384	5.5
215.06978	3.9
217.04936	4.8
219.06435	2.4
221.04482	0.6
223.02269	3.5
225.05431	3.1
227.03313	1.1
227.06786	0.5
229.04895	18.1
231.02895	0.8
231.06436	3.8
233.04333	7.2
237.05415	1.0
239.06912	0.9
241.04887	4.8
243.02875	1.1
243.06421	7.9
244.03581	1.0
245.04399	100.0
246.04710	0.9
247.05959	55.6
248.06090	0.6
251.02748	0.6
251.05328	0.8
253.04935	5.6
255.06552	3.5
255.10732	0.5
257.04395	21.6
258.05063	3.3
259.05942	10.1
261.03833	0.6
261.07452	1.1
263.05453	2.0
265.04919	2.1
267.06430	0.9
269.04416	7.5
271.05930	34.3
272.06195	0.6
273.03720	0.6
273.07535	1.9
274.04663	5.6
275.05405	25.1
277.04913	2.0
279.06442	0.7
281.04410	3.6
283.05954	11.5
285.03851	3.7
285.07376	1.7
287.05426	31.0
288.05646	0.6
289.06989	24.4
291.08630	12.4
293.04376	0.8
295.06018	3.7
297.03845	4.1
297.07422	1.8
299.05371	7.6
301.07053	8.6
303.05054	0.6
305.04236	0.7
307.05786	1.0
309.03931	1.1
309.07364	0.7
311.05429	4.3
313.07095	2.4
317.07980	0.8
319.06024	2.1
321.07471	1.9
323.05698	3.6
331.08301	0.7
332.06729	0.5
333.07593	2.1
335.05359	0.6
339.04871	0.8
339.08600	0.7
345.07373	0.7
347.05301	0.6
349.06876	1.0
351.04776	1.0
357.07562	0.6
361.07141	4.1
363.08603	2.4
365.06421	2.4
373.06998	1.0
377.06635	0.8
379.08194	6.0
383.07388	0.9
389.06378	5.2
391.08041	5.0
393.05630	3.6
395.07480	3.1
396.08289	0.7
397.09143	7.5
401.06586	1.1
403.08026	1.9
405.05701	2.4
407.07538	24.4
408.07397	0.6
409.09097	25.4
411.10507	4.3
415.07828	0.6
417.05875	0.8
419.07434	6.2
421.09119	2.7
425.08649	13.0
427.10217	15.7
431.07501	1.1
433.09207	1.9
437.08563	9.3
439.09772	1.0
449.08820	3.4
451.10281	4.3
453.11633	1.1
517.11041	4.4
527.09369	2.2
535.12219	4.9
539.32239	0.5
541.10986	3.2
545.10632	2.0
557.10992	0.6
559.12427	4.6
571.12592	0.9
577.13190	7.1
579.06195	0.8
579.14905	17.0
589.13251	0.9
679.14178	0.7
697.15271	5.8
699.16315	1.0
715.16284	2.2
815.13666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03386	1.7
81.49976	0.4
85.02917	0.5
89.03878	1.6
91.05457	0.4
92.08708	0.7
93.03371	0.4
95.04940	1.8
97.02879	0.4
99.04456	0.3
105.03338	0.5
107.04939	2.8
109.02858	1.6
110.89285	0.4
111.00767	2.2
111.04433	6.5
115.05416	0.4
117.03350	0.7
119.04885	0.8
121.02860	2.1
123.04417	24.0
127.03899	17.6
129.06978	0.5
131.04901	2.8
135.04404	23.1
137.02338	17.6
137.03378	1.5
139.03893	18.3
141.06969	0.5
143.04926	0.7
145.02834	0.7
145.06477	0.7
147.04381	4.9
149.02336	9.7
149.05983	1.5
151.03900	6.5
153.01840	3.8
153.06949	0.4
155.03355	2.3
155.04881	1.5
157.06471	1.6
159.04376	2.2
161.02342	0.6
161.05937	2.7
163.03885	20.5
165.05397	0.5
167.03354	2.0
169.05060	0.5
169.06491	1.5
171.04405	0.7
173.02374	0.6
173.05930	3.4
175.03914	4.2
175.07489	0.5
177.05473	3.1
179.03389	3.5
181.06503	1.5
183.04395	1.6
185.05972	3.0
187.03859	4.1
189.05515	3.0
191.03346	3.1
193.04930	1.5
197.05919	3.7
199.03831	1.5
201.05453	6.0
203.03366	9.1
203.07030	1.5
205.04961	1.5
207.02788	0.8
209.05913	0.9
211.03941	0.5
213.05458	6.2
215.03461	1.5
215.06900	1.3
217.04919	2.8
219.06412	0.8
221.04445	0.6
225.05467	2.0
227.03258	1.8
227.06937	1.6
229.04945	8.9
230.05724	0.5
231.02908	1.2
231.06477	10.9
233.04437	2.2
237.05396	2.2
241.05034	4.6
243.02866	0.5
243.06532	2.5
245.04411	13.4
247.05981	21.3
251.93536	0.4
253.04922	1.7
255.02847	0.5
255.06433	3.4
257.04413	28.7
258.05182	4.7
259.05975	14.3
261.07513	1.5
265.05032	0.5
267.06497	0.6
268.03336	0.4
269.04428	6.8
270.05042	0.7
271.05902	8.4
273.04172	0.7
273.07614	1.9
275.05396	3.3
279.06458	0.7
281.04428	2.2
283.05957	9.1
285.03833	4.4
285.06970	0.5
286.04721	0.8
287.05450	100.0
288.05740	1.5
289.07034	6.7
291.08694	0.6
293.04428	1.7
295.05933	0.9
297.03796	2.0
297.07007	0.4
299.05396	8.8
300.06451	0.4
301.06934	6.3
307.05850	0.8
309.03992	0.5
309.07498	0.8
311.05402	3.7
319.06015	0.6
321.04022	0.6
321.07513	0.8
323.05499	1.6
325.06827	0.5
327.05011	0.6
329.06482	9.2
333.07410	1.5
335.05478	1.7
337.07013	0.8
339.04977	1.6
345.07709	0.8
347.05695	1.0
349.06985	2.0
357.07272	0.7
358.08212	0.4
359.05460	0.4
361.07047	3.8
365.06522	2.6
373.07184	2.6
375.04538	0.5
375.08862	0.6
377.06485	3.7
379.08130	3.4
389.06454	3.8
391.08240	3.9
393.06046	1.8
395.07849	2.9
401.06644	0.8
403.08185	2.1
405.05981	12.1
407.07568	12.4
409.09213	10.1
411.10626	5.1
413.08554	4.4
417.05740	3.2
419.07462	3.7
421.08987	2.1
423.06848	5.5
425.08115	0.9
427.10175	1.4
429.06009	0.6
431.07486	4.7
435.06799	4.9
437.08698	1.4
447.07074	2.7
449.08752	4.8
453.11581	1.8
455.09131	0.5
515.09650	0.7
525.07959	2.4
533.10785	20.1
534.11426	0.5
539.09888	0.6
541.11072	0.8
543.08942	3.1
545.10529	0.8
549.10046	0.6
557.10693	4.2
561.09991	1.6
569.10803	3.7
573.09814	1.7
575.11798	11.9
585.10168	0.7
587.11823	4.0
597.10663	0.5
599.11682	0.6
617.13037	0.6
651.10962	1.5
669.12152	0.9
677.13257	0.5
693.11957	0.6
695.13867	12.7
713.03638	0.8
713.14868	14.8
719.14026	0.5
737.14465	0.8
739.16962	5.2
755.16003	2.5
803.15375	0.5
813.13867	2.5
815.14874	0.7
821.16455	1.6
831.14465	2.1
847.19318	0.5
865.18408	2.0
907.19635	1.6
965.17462	0.6
983.18585	2.3
1001.20361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03394	1.3
83.51756	0.7
89.03910	0.8
91.05431	0.6
95.04937	1.3
96.30210	0.7
96.44485	0.6
101.77418	0.6
103.05418	0.6
107.04940	4.1
109.02851	1.2
111.00796	1.2
111.04443	4.8
114.39026	0.6
115.05387	1.2
117.03420	0.6
119.04923	1.3
121.02830	2.4
123.04400	23.9
127.03891	18.6
129.06987	0.6
131.04877	1.1
134.83147	0.6
135.04381	23.9
137.02325	18.1
137.03355	1.3
139.03871	20.2
141.07027	0.8
143.04950	1.2
145.02744	0.7
147.04384	6.2
149.02328	10.1
149.05894	0.7
151.03853	7.2
153.01831	5.0
153.06960	0.8
155.03432	1.3
155.04883	1.2
159.04337	2.6
161.05913	3.5
163.02495	1.0
163.03859	25.3
165.01747	0.7
165.05452	0.6
167.03326	2.6
173.05962	3.6
175.03915	5.4
175.07335	0.7
177.05399	2.9
179.03340	3.7
181.06433	0.8
183.04358	2.3
185.05896	3.6
187.03812	4.8
189.05438	3.8
191.03345	4.5
193.04999	1.5
196.75845	0.6
197.05887	3.1
199.03743	0.7
201.05432	6.6
203.03362	10.9
207.02766	0.6
209.05910	0.7
213.05463	9.2
215.03394	0.9
217.04889	1.2
223.42236	0.6
225.05441	2.3
227.03456	1.2
229.04904	9.3
230.05569	0.7
231.06427	10.2
233.04311	1.0
237.05615	1.0
241.04924	6.1
243.06551	1.3
245.04402	13.0
247.05939	20.6
253.04926	0.9
255.06435	1.5
257.01675	1.3
257.04367	30.7
258.05115	4.9
259.05899	15.3
261.07477	1.0
265.04913	0.8
267.06573	0.7
269.04330	6.8
271.05853	11.6
273.03903	2.3
273.07367	1.1
275.05420	3.1
279.06345	0.7
281.04343	3.5
283.05966	8.0
285.03928	4.1
286.04544	0.8
287.05429	100.0
288.05820	2.9
289.07022	6.1
295.05942	1.4
297.03793	2.7
297.07172	0.6
299.05328	8.2
301.06940	7.7
303.06116	0.6
307.05859	0.7
309.03793	1.0
309.07632	0.7
311.05478	3.6
313.07797	0.6
321.07526	0.8
327.04971	0.7
329.06375	9.3
335.05319	0.9
337.07034	2.4
339.04761	4.1
347.05396	0.8
349.06863	2.6
351.04709	1.0
357.07495	0.7
361.06888	4.0
365.06528	2.1
373.06915	3.1
375.08765	0.8
377.06470	5.3
379.07947	3.6
389.06281	3.4
391.07999	2.7
393.05829	2.9
395.07507	2.9
403.08066	1.5
405.05817	13.7
407.07437	12.4
409.09106	13.1
411.10782	4.8
413.08258	2.7
417.05945	3.9
419.07382	4.0
421.09384	1.7
423.06659	4.3
429.06009	1.1
431.07318	3.6
435.06357	4.5
447.06927	2.6
449.08636	4.9
525.07867	1.3
533.10718	21.7
539.09723	1.0
541.11041	1.1
543.08795	3.1
549.10352	0.9
557.10712	5.5
561.09753	1.2
569.10217	2.9
573.10394	1.0
575.11859	13.5
587.12024	5.5
599.11407	0.7
651.11395	0.8
677.12695	0.8
693.12207	1.1
695.13776	13.4
696.14526	0.7
707.13763	0.9
713.14917	16.7
737.14447	1.1
739.16162	5.9
755.15027	3.8
813.13989	2.4
815.14209	0.9
821.16132	2.2
831.15442	2.1
865.18262	1.3
907.18414	1.8
983.19226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0917
Annotation	DMPO
Peak:m/z	Relative Intensity
53.03948	0.2
55.01861	0.3
55.05491	0.8
55.93515	0.4
56.96538	0.4
57.03422	0.8
58.02951	0.2
59.52163	0.2
60.50792	0.2
67.05485	0.4
68.05009	1.2
68.05825	0.4
69.03413	1.5
69.07054	9.7
71.02619	0.3
71.02973	5.3
71.04967	0.3
71.08609	0.2
72.08115	0.3
72.10257	0.2
72.93772	13.6
73.06531	1.0
79.05475	5.5
79.23995	0.2
80.03494	3.5
80.05884	0.2
82.53745	0.9
86.06052	6.8
86.09694	0.3
90.83922	0.2
90.94805	4.9
91.05749	0.3
91.48154	0.4
91.54225	0.2
96.04511	0.2
96.05240	0.2
96.08112	4.1
96.35053	0.2
97.02872	0.2
97.06516	4.2
100.00622	0.7
102.50211	0.2
104.90788	0.3
108.95853	2.1
112.07573	0.3
113.96400	1.0
114.05504	0.8
114.09149	100.0
115.03912	0.7
115.07539	0.4
115.09467	0.8
131.97395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00293	4.4
55.05507	0.8
59.52206	0.7
69.03416	100.0
69.34439	0.6
70.06578	9.6
71.02966	6.3
72.02831	1.2
72.08147	1.1
73.80275	0.6
80.03479	4.4
80.53561	0.9
82.53764	0.8
85.02898	4.6
87.04446	1.2
92.09254	0.7
92.62751	0.7
97.02870	94.7
115.03912	35.4
115.04734	0.8
115.08659	3.8
116.07085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0393
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00072	0.6
53.00301	5.4
54.01082	0.7
55.05494	0.6
57.95551	0.5
61.04039	0.6
63.35139	0.5
69.03419	100.0
72.08141	4.1
75.00685	0.5
87.04465	1.1
94.93845	0.5
97.02876	96.0
115.03914	35.1
115.08672	7.4
122.14703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00309	1.9
54.81326	0.4
57.03431	0.8
59.05019	0.5
60.14650	0.3
69.03419	100.0
69.07044	0.7
71.02960	2.2
73.02889	3.5
77.69503	0.3
80.03468	0.4
80.80611	0.3
85.02885	4.3
87.04466	1.5
95.84495	0.4
97.02876	43.2
100.52186	0.4
115.03914	31.3
125.22327	0.5
132.06943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.2
92.27632	0.2
94.06553	0.9
122.06030	3.3
124.07561	0.7
132.08105	0.2
132.10977	0.2
136.07545	0.3
138.09103	0.2
144.08041	0.2
152.07220	0.2
162.07901	0.2
162.09138	0.4
170.08115	0.3
172.07588	0.7
174.09171	0.7
175.08661	0.9
183.51401	0.2
185.10791	0.3
187.08673	1.0
188.09409	0.6
189.10211	0.8
190.08673	1.0
199.08740	0.8
201.10303	0.3
201.13850	0.3
205.09686	0.2
208.09724	0.7
208.38094	0.2
213.10333	0.8
215.08321	0.4
215.11761	1.7
217.09694	6.4
220.09637	0.4
225.10310	0.7
226.11023	0.3
227.11838	0.8
227.15320	0.3
228.12613	0.8
229.09753	0.2
229.13365	2.3
233.09247	0.8
234.10075	0.8
235.10793	1.0
237.13872	0.3
239.11816	0.4
241.09669	1.4
241.13315	0.8
243.11295	3.7
251.11646	0.3
255.11272	0.3
255.14870	1.5
256.12131	0.8
257.12823	9.3
258.13043	0.3
259.10733	0.3
260.11655	0.3
261.12366	1.2
263.11917	0.8
265.13409	0.4
266.12930	0.8
267.11307	1.1
269.09161	0.3
273.12582	0.2
275.13922	1.5
279.14008	0.3
280.14554	1.1
281.12344	0.3
283.14395	4.8
285.12341	0.7
287.10117	0.3
290.12967	0.4
291.14224	0.3
292.14465	1.1
293.12589	0.5
294.12726	0.4
294.16162	0.3
295.10574	0.3
295.13907	0.3
296.13971	0.9
300.14734	0.2
301.15445	2.3
304.14499	0.7
305.15741	0.2
306.12698	0.3
306.16168	0.4
308.14029	0.9
309.15106	0.3
310.12143	0.2
310.15619	0.4
311.13739	0.3
312.13620	0.4
313.11786	0.8
317.12619	0.2
317.16092	0.3
318.16022	1.2
319.16522	1.0
320.14001	1.0
320.17499	0.2
321.15231	0.4
322.15622	0.9
330.12054	0.3
330.16019	0.3
332.13797	0.3
332.17709	0.7
333.15826	0.2
334.15582	0.9
334.19092	0.3
336.13464	0.4
336.17108	2.0
337.14813	0.3
338.14954	5.1
338.18771	0.3
341.15057	0.3
342.16089	0.8
344.17804	0.3
346.15607	1.0
348.17154	0.3
348.20764	0.2
349.17899	0.7
350.14999	1.2
350.18744	1.2
351.16895	0.2
354.18243	0.2
355.15363	0.8
356.15961	7.0
358.15469	0.4
359.16272	0.4
360.16946	1.5
362.15063	0.9
362.18857	0.4
364.16522	4.0
365.17667	0.2
366.14746	1.0
367.16302	0.4
368.16119	0.9
376.16245	0.4
376.20450	2.2
378.18097	7.4
380.16162	0.8
381.16815	0.8
382.17572	10.8
385.17801	0.4
386.18423	0.3
388.16455	1.4
392.15814	0.3
394.17606	1.0
396.19196	6.8
398.17477	0.3
399.17822	0.4
400.18652	6.7
402.18484	0.3
403.18976	0.9
404.19623	6.4
405.17032	0.8
406.17487	2.4
412.18777	0.7
416.16125	0.3
422.20706	12.1
424.18542	1.4
425.19318	0.3
432.19223	0.8
433.18793	1.9
434.16684	1.4
435.17499	0.2
440.21722	4.3
443.20706	0.4
444.18900	0.9
450.20096	0.8
451.20465	0.9
452.17999	0.3
454.20013	1.0
459.20212	1.4
461.21829	0.8
462.20239	1.3
468.21347	0.2
469.21970	0.4
470.20697	0.4
471.20013	0.3
472.20862	1.0
477.21503	1.6
480.21243	1.3
481.22394	0.3
487.23483	0.7
488.21808	1.7
489.21133	2.3
495.22345	0.9
498.22165	0.4
499.23401	1.6
506.22665	1.7
507.23138	0.3
515.22736	1.9
516.23157	0.7
519.22198	0.3
524.24048	0.8
525.24817	1.9
527.22845	1.9
533.23785	2.3
543.25879	0.9
545.23853	1.0
547.25635	1.1
553.24255	1.5
571.25714	1.9
573.27155	0.8
575.24969	0.8
589.26581	0.4
591.27991	1.0
593.26019	7.0
594.26221	0.3
601.26764	0.3
619.27649	5.4
620.26776	0.2
637.28625	100.0
638.28949	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	1139.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	3.2
81.03407	5.5
89.03896	4.3
91.05459	8.7
95.04947	10.3
99.04416	1.2
103.05432	1.6
105.03388	1.7
105.04490	1.3
105.07035	1.1
107.04940	61.6
107.47794	0.7
109.02852	4.0
111.00787	11.8
111.04415	12.5
115.05375	2.6
117.03364	1.6
117.07014	0.8
119.04917	42.7
121.02828	10.4
123.04408	100.0
124.07581	4.9
126.11774	0.7
127.03894	90.2
128.04126	1.0
131.04927	8.6
131.08514	0.9
133.06488	5.2
135.04388	70.4
137.02318	7.5
137.05965	0.9
139.03885	63.6
141.06947	1.9
143.04892	1.5
145.02846	1.2
145.06490	8.0
147.04390	37.2
149.02309	12.8
149.05981	4.5
150.03172	0.9
151.03879	23.1
153.01862	1.1
153.05557	0.8
153.06929	1.1
155.04843	1.9
157.06483	5.1
159.04346	7.1
161.02313	1.6
161.05962	10.4
162.03081	1.5
163.03873	67.1
165.01814	3.5
165.05443	7.1
165.06671	0.8
167.03369	10.0
169.05013	1.2
169.06454	5.5
171.04350	6.4
173.02330	1.2
173.05930	8.1
175.03900	6.0
175.07541	1.1
176.04674	1.6
177.05441	9.5
179.03343	14.5
179.07079	1.0
181.05000	1.5
181.06459	4.3
183.04422	3.4
185.05908	6.4
187.03815	12.7
187.07541	1.8
189.01776	1.6
189.05394	10.4
190.02541	2.9
191.03351	19.2
191.06937	1.0
193.04951	5.1
197.05962	10.0
199.07494	1.7
201.05428	14.8
203.03371	20.4
203.06996	5.8
205.04903	6.0
207.02782	2.7
207.06529	1.2
209.05960	1.6
211.03839	1.0
211.07462	1.0
213.05437	10.4
215.03337	15.4
215.06966	6.4
216.04167	5.9
217.04999	5.3
219.02954	0.8
219.06462	1.4
223.02374	4.2
223.07494	0.9
225.05376	5.8
227.07030	1.4
228.04083	1.3
229.04919	21.0
231.02829	3.3
231.06453	29.6
232.03708	1.0
233.04416	9.0
237.05373	1.9
239.07018	3.2
241.04893	8.3
242.05684	1.1
243.02797	4.0
243.06400	10.5
244.03624	16.3
245.04398	82.6
247.05946	57.8
251.05243	1.0
253.04953	5.0
255.06471	15.4
257.04416	29.3
258.05225	4.7
259.06012	12.0
261.07358	1.0
263.07147	1.1
265.04944	3.8
265.08603	1.0
266.05594	0.9
267.06464	3.7
269.04327	12.5
271.05942	36.7
273.04288	2.7
273.07553	14.1
274.04669	31.9
275.05368	20.8
279.06476	1.5
281.04208	3.1
283.05902	13.2
285.03882	14.8
285.07050	1.9
286.04688	5.0
287.05423	47.7
289.07050	29.5
291.08640	22.1
295.06052	5.8
297.03824	5.6
297.07513	3.3
299.05392	10.6
301.06857	10.2
303.04681	6.0
305.07941	3.2
307.05881	4.4
309.04022	1.6
309.07343	1.3
311.05521	3.5
313.07031	1.7
315.04886	1.5
317.07886	1.7
321.07501	3.4
323.05511	2.8
323.09024	1.1
327.05032	1.9
329.07855	3.5
333.07516	2.7
341.06543	1.0
345.07587	10.5
347.05301	1.2
347.09167	4.4
349.07010	1.6
351.04825	1.4
351.08698	1.0
357.07446	1.4
361.07043	3.3
363.04877	1.3
363.08698	11.2
365.10278	1.8
369.06506	1.2
373.06821	5.6
375.08655	9.4
377.06589	1.2
379.07993	6.6
381.09659	3.3
385.07022	1.6
387.08487	1.0
389.06253	1.3
391.08026	38.2
393.05630	3.8
393.10037	11.6
395.07565	4.0
396.08261	1.4
399.08261	1.2
403.07993	13.2
404.25394	0.9
405.05829	3.8
405.10223	1.3
407.07425	6.2
409.09116	42.0
411.10675	4.6
413.08090	1.0
415.08093	1.3
417.09689	4.8
419.07343	1.3
421.09094	19.2
425.08600	7.3
427.10193	23.9
433.08948	5.2
435.11240	6.6
437.08524	5.0
439.10266	3.3
441.05508	1.1
449.08145	1.7
453.11359	3.5
501.11694	4.3
515.12897	1.2
519.12604	5.1
525.11993	5.6
527.09271	1.4
543.13202	5.6
545.10663	1.0
561.13916	14.6
579.14862	25.8
681.15582	3.5
759.71368	0.9
1135.22595	1.0
1159.01758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.69443	0.2
53.00304	0.4
53.03937	1.4
53.04177	0.2
55.01870	0.5
55.05508	0.4
55.61890	0.2
56.96552	0.5
57.03434	2.3
57.07073	1.2
57.57816	0.2
60.95848	1.8
65.03922	2.2
67.01877	0.5
67.05495	20.6
68.05023	0.6
69.03429	0.6
69.50688	0.4
70.02946	0.5
70.59162	0.2
71.04980	100.0
71.94084	1.4
72.93774	5.7
76.21376	0.2
78.51215	0.5
81.01488	1.0
85.02911	0.5
85.06535	1.4
87.51737	0.3
90.00135	0.4
90.01997	1.0
90.94817	2.4
93.02154	0.2
95.01310	0.5
95.04950	7.3
95.05516	0.4
95.08605	0.4
96.00846	0.3
96.15116	0.2
98.50857	0.5
99.00653	1.5
108.01166	0.4
108.95892	0.5
113.00010	1.0
113.02363	7.8
113.03471	2.4
113.05994	7.1
113.10748	0.3
113.96376	0.3
114.05543	0.4
131.97427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.01867	0.6
55.05488	2.2
55.87553	0.3
56.96548	0.3
57.03428	100.0
57.07065	2.2
60.95832	0.4
62.52643	0.2
65.03922	3.8
67.05493	38.0
69.03417	1.4
71.04979	7.7
71.94090	0.3
72.93767	4.2
83.04978	2.3
84.20316	0.2
85.06528	45.7
90.00096	0.5
90.02023	0.3
90.94807	0.5
92.08667	0.3
95.04945	35.3
98.00753	0.3
98.50795	0.3
99.00627	1.6
110.52098	0.2
111.10101	0.3
113.02366	2.8
113.03459	1.5
113.05987	29.4
134.46053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04969	1.8
81.03408	21.7
83.04971	100.0
85.02891	10.9
85.06528	2.9
95.04950	2.8
97.02862	8.5
99.04430	7.6
101.06007	2.8
107.01312	1.5
109.02888	12.2
111.04425	5.4
112.61279	1.2
113.05968	7.6
115.07565	13.2
123.04410	10.4
125.02222	1.3
127.03876	10.9
137.02330	34.4
147.04419	1.8
149.02267	1.8
161.02238	2.0
161.05919	3.0
163.03893	2.5
163.07562	1.4
165.01781	1.5
167.03352	2.0
177.01820	1.7
181.06496	1.5
187.03870	2.6
189.05472	1.5
197.05933	2.8
201.05524	1.7
209.06071	1.8
209.07954	1.3
215.06964	3.0
221.05980	11.7
223.07373	1.5
225.05423	8.5
225.07393	3.1
237.05406	5.5
238.05869	1.3
239.06873	1.8
243.06453	1.6
245.00642	1.4
249.05417	11.1
253.04831	12.8
255.06464	1.6
257.70151	1.3
263.03278	3.0
265.04919	9.5
267.06436	5.2
269.04260	1.7
270.62506	1.4
271.05884	6.3
277.04886	8.4
279.06448	1.8
281.04395	25.0
282.05194	5.4
283.07690	1.8
291.02817	8.4
292.03519	1.5
293.04404	14.0
295.06012	24.5
299.07288	8.5
307.02368	5.1
309.03821	10.2
311.07242	2.2
317.08047	5.0
319.02417	17.0
320.02902	1.8
321.03891	17.7
323.05499	6.1
327.06497	17.4
329.07932	6.9
331.05713	1.8
335.01816	20.3
337.03348	11.9
339.06723	8.5
345.07455	16.4
347.01700	4.9
353.06735	1.6
355.05908	34.1
356.06683	1.6
357.07513	4.9
365.03522	5.5
367.05847	9.0
373.07010	23.4
383.05380	28.7
384.05997	1.5
385.06995	8.5
395.05383	16.3
401.06461	54.8
403.07968	7.0
405.06015	5.3
411.04816	27.2
413.06531	10.1
427.04443	1.9
429.06012	90.8
431.07629	6.3
439.04315	5.3
441.06061	1.8
447.06989	8.7
449.10410	1.3
457.05496	90.3
463.07053	1.9
465.70383	1.5
475.06525	20.4
497.06808	1.6
509.07910	2.6
537.07953	5.0
554.06372	1.4
555.09186	2.3
591.11353	9.2
601.09576	2.6
619.01257	1.8
619.10742	41.3
635.10077	7.7
637.11395	6.8
653.11047	6.8
671.12268	6.4
699.12634	5.1
717.13928	5.2
763.14526	8.3
781.15637	12.3
799.17102	1.9
843.16602	6.3
861.17676	10.3
879.20172	8.7
897.20081	5.0
933.21643	1.5
995.22797	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	1072.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
94.77016	0.1
120.90531	0.1
129.48970	0.1
131.04936	0.1
147.04369	0.6
153.01781	0.3
175.03835	1.4
187.03818	0.7
196.94164	0.1
202.68442	0.1
203.03349	1.7
213.98792	0.1
215.03360	0.6
224.51233	0.1
227.03358	0.6
243.02855	1.6
247.02397	0.1
271.02319	100.0
272.02655	1.5
289.03311	0.7
297.03860	0.4
349.06979	1.7
391.08051	73.3
392.08447	1.7
506.45822	0.1
639.13287	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	1055.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
76.91557	0.1
88.01141	0.1
108.12251	0.1
133.60139	0.1
141.03304	0.1
147.04393	0.5
149.18120	0.1
152.89403	0.1
153.01799	0.1
159.04332	0.1
163.03917	0.1
175.03877	1.5
187.03847	0.8
193.05093	0.1
203.03371	2.2
215.03345	0.9
227.03363	0.9
243.02832	1.9
252.94562	0.1
256.71167	0.1
271.02319	100.0
271.49564	0.1
272.02621	1.6
273.51062	0.1
285.03879	0.1
289.03418	0.6
297.03952	0.4
313.03629	0.1
349.07022	1.7
391.08044	62.8
392.08463	1.4
533.08521	0.1
607.27429	0.4
639.12927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03828	0.1
94.63915	0.0
101.47608	0.1
103.05457	0.1
134.35886	0.0
140.98430	0.1
147.04381	0.6
153.01788	0.1
159.04321	0.1
175.03864	1.7
187.03804	0.8
193.04912	0.1
199.03786	0.1
203.03368	2.0
205.04813	0.1
215.03392	0.8
227.03383	0.8
229.01294	0.1
243.02832	2.2
247.02318	0.1
271.02328	100.0
272.02625	1.8
289.03375	0.7
297.03751	0.4
349.06985	1.7
349.11401	0.1
391.08063	67.1
392.08374	1.9
639.13483	0.7
642.51587	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	1053.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57831	0.4
81.03394	2.5
85.02877	2.6
87.00803	1.8
91.05463	14.1
97.02862	3.0
109.02853	2.6
111.00755	1.0
119.04921	27.5
127.03883	2.5
137.02318	3.8
145.02863	0.7
147.04395	96.5
153.01811	74.2
161.06007	0.5
163.03891	3.5
171.02872	2.6
171.04276	0.6
173.05995	0.6
183.04446	0.6
187.03873	3.8
189.05452	2.2
195.02890	1.7
199.03851	1.7
201.05472	2.4
211.03908	1.0
213.01915	0.7
215.03397	6.2
217.04953	2.5
227.03416	0.9
229.04890	4.5
239.03435	1.6
241.01341	0.8
241.04973	5.4
243.02908	6.5
253.04988	2.1
255.02817	6.7
257.04520	3.7
259.06058	4.1
261.03870	3.6
267.02829	4.2
269.00790	0.7
270.01563	0.9
271.05920	0.6
272.03149	0.5
281.04471	2.3
283.02271	4.8
285.03888	90.0
286.04434	1.0
287.02023	1.8
295.06104	0.6
297.03903	9.0
298.04626	3.0
299.05481	5.4
301.03284	0.7
303.04947	39.5
307.02203	0.6
309.03915	5.6
311.01883	18.2
311.05438	2.4
321.04056	0.6
323.05487	3.7
325.03333	1.0
327.04926	45.8
329.02866	25.0
335.05420	0.5
337.03458	2.2
349.03207	0.8
351.04947	1.0
353.02859	34.8
363.04843	0.9
363.08932	0.5
367.04156	3.4
369.06161	1.8
377.02832	5.8
395.03931	6.5
401.07007	1.0
405.09634	62.7
406.10327	0.6
411.07019	13.0
419.03998	1.0
431.07568	27.7
437.04971	100.0
438.05194	2.1
455.06064	17.2
463.06409	0.8
479.06088	0.5
515.09393	1.0
557.10718	61.3
599.10663	0.6
653.14893	2.4
685.10211	6.6
719.15887	3.0
761.16876	6.2
787.15076	1.8
805.15936	100.0
806.15881	2.2
847.16760	0.7
933.13818	0.8
967.22363	0.5
1053.21460	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	1052.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02890	2.9
79.05476	72.1
80.30717	2.0
81.03413	17.5
81.07042	100.0
81.63396	2.4
83.04972	5.8
83.08614	22.8
83.28909	2.7
85.02901	5.8
85.06529	4.8
91.03945	3.6
91.05464	79.8
93.07027	67.3
93.07561	3.4
95.04961	19.6
95.08589	45.5
97.02885	10.9
97.06547	17.3
97.10178	12.8
97.41354	2.1
103.05428	2.1
105.07019	58.2
107.04938	17.1
107.08588	42.0
109.06525	14.5
109.10149	53.6
111.08099	9.5
115.05449	3.0
117.07014	23.5
119.08555	38.4
119.18545	2.1
121.06501	9.4
121.10133	19.3
121.53897	2.2
123.08028	2.9
123.11720	5.9
125.09597	13.4
128.06252	2.9
129.05428	3.1
129.06998	14.3
131.08551	30.3
133.06494	3.3
133.10106	32.6
134.46925	2.6
135.08069	3.2
135.11700	12.7
137.09555	4.3
141.06979	3.1
142.85637	2.2
143.08600	10.8
145.10085	23.0
147.08061	3.6
147.11696	18.5
149.09618	19.2
149.13249	5.0
151.11179	4.2
155.08585	4.0
157.10141	5.8
159.11668	15.2
161.09634	4.1
161.13232	2.5
163.11163	9.1
168.09482	2.4
171.11667	5.3
173.11717	12.2
173.13225	8.6
175.11073	3.0
177.12764	4.7
183.11720	3.6
184.49205	2.5
187.11176	2.5
189.11237	3.1
189.12766	3.1
195.13849	3.9
197.13228	2.8
205.36592	2.4
221.92957	2.5
227.12762	5.3
229.14339	21.0
255.15857	4.5
257.18918	3.8
267.15985	2.8
269.17432	20.4
273.18466	4.0
275.19980	40.2
291.19525	4.8
293.21146	4.6
349.23834	28.1
365.23328	3.2
367.24881	5.5
383.24316	18.1
423.27420	23.2
463.30502	4.0
503.33517	25.3
521.34473	5.2
543.36951	22.6
561.37646	5.1
623.42755	12.8
641.43671	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	1050.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
76.44370	1.9
79.05478	63.4
81.03397	14.7
81.05361	1.9
81.07043	100.0
83.04972	20.3
83.08599	23.7
85.02901	5.4
85.06516	3.5
85.10148	1.9
88.92292	2.1
91.05461	45.0
93.07031	50.6
95.04942	28.3
95.08590	20.5
97.02895	2.1
97.06506	13.7
97.10152	35.8
105.07016	35.0
107.04938	21.9
107.08589	31.9
109.06511	19.8
109.10109	16.9
111.04396	18.7
111.08088	11.0
115.05428	2.9
116.06307	2.1
117.06998	19.6
119.04975	1.9
119.08570	44.7
121.06484	13.7
121.10124	22.1
123.08064	26.9
125.05950	2.8
125.09622	30.2
127.85384	2.1
128.06183	4.4
129.07008	14.9
131.08549	20.3
133.06474	9.0
133.10100	14.3
135.08038	11.2
135.11690	14.5
137.09567	3.6
138.55338	2.3
141.06967	2.9
143.08545	11.9
145.06386	3.9
145.10097	23.1
147.08049	15.9
147.11658	10.5
149.09613	10.2
153.09058	3.6
153.12738	9.2
155.08537	3.8
157.10094	8.3
159.08026	3.4
159.11656	11.6
161.09613	17.0
161.13356	2.5
163.11128	26.8
165.09085	4.0
169.10016	2.6
171.11687	4.5
173.09628	9.7
175.11128	10.6
177.12669	2.1
181.12198	11.9
183.11729	2.6
185.09558	3.1
187.11053	3.2
189.11127	9.6
189.12675	3.6
191.10635	8.8
223.13326	2.6
227.12796	13.4
230.63792	2.2
245.19020	4.1
255.17488	3.0
273.18436	48.8
291.19489	81.0
291.22726	3.0
309.20483	8.6
347.22159	17.0
365.23141	68.6
383.24118	38.5
447.09033	2.4
535.32355	3.6
581.37195	4.1
619.40216	4.1
637.41058	34.2
655.41998	75.8
656.43292	2.8
673.43060	58.6
691.43738	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
55.35203	0.0
58.06580	1.5
59.07364	0.6
60.08147	17.9
69.03421	0.4
86.06049	0.4
86.09698	0.1
87.04445	1.8
88.05225	0.0
104.10717	100.0
105.11045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.213
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	0.2
81.03383	0.3
83.04951	0.2
85.02885	0.3
91.05441	0.7
92.09360	0.3
93.03384	0.2
95.04926	1.0
99.48196	0.1
103.05465	0.4
105.03354	0.3
107.04913	0.7
109.02862	0.7
111.00775	1.3
111.04417	1.3
115.05432	0.8
117.07003	0.4
119.04900	1.0
121.02844	3.1
123.04402	10.1
125.02350	0.3
127.03880	2.5
129.06935	0.3
131.04916	0.4
133.02797	0.3
133.06436	0.4
135.04372	1.6
137.02318	12.5
137.03366	0.8
137.05937	0.2
139.03879	17.1
141.06966	0.4
143.04883	0.4
143.92099	0.2
145.02818	0.9
145.06464	0.7
147.04385	5.2
149.02324	13.3
149.05957	1.0
150.03064	0.3
151.03880	4.1
153.01794	3.1
153.05374	0.6
155.03358	2.2
155.04715	0.5
156.29137	0.2
157.02870	0.2
157.06482	1.4
159.04369	0.9
161.02280	1.3
161.05936	2.0
163.03868	6.7
165.01840	1.0
165.05441	1.2
167.01938	0.4
167.03372	11.1
167.04762	0.4
169.06444	0.9
171.04311	1.3
173.02332	0.7
173.05904	1.8
175.03877	3.7
175.07451	0.2
177.01826	0.7
177.05481	1.8
179.03343	3.0
181.04878	0.9
181.06386	0.3
183.04373	0.7
185.02344	0.3
185.05945	3.3
187.03868	2.2
189.01784	1.4
189.05406	3.1
191.03343	6.3
193.04929	1.2
195.04408	0.4
197.05923	1.7
199.03816	2.3
200.04651	0.4
201.05414	2.9
203.03362	8.8
203.06981	0.4
205.01254	0.2
205.04869	2.0
207.02834	3.4
207.04456	0.2
211.03864	1.0
213.05429	6.4
215.03352	2.3
215.06982	0.2
217.01357	0.3
217.04913	2.9
218.05582	0.2
219.02863	4.6
219.06395	0.3
220.03584	0.3
221.04327	0.7
221.06197	0.3
221.90726	0.2
223.03862	0.8
225.03831	0.9
225.05757	1.3
227.03360	3.1
227.06856	0.3
229.04892	5.1
231.03107	1.5
231.06458	13.8
233.04335	2.4
235.02296	2.3
235.07588	0.2
237.05447	1.3
239.03305	1.5
239.06929	0.3
240.03954	0.2
241.04959	3.8
242.05621	0.6
243.02841	1.5
243.06290	0.6
245.04390	5.8
247.02269	1.0
247.05922	4.5
247.08214	0.2
249.03658	0.3
250.06433	0.2
251.03244	0.3
251.05467	0.7
253.04907	2.6
254.05714	0.2
255.02800	1.3
255.06450	1.2
257.04385	18.3
258.05161	6.5
259.02390	0.6
259.05948	10.0
261.03625	0.3
263.05270	1.7
265.04800	1.7
267.02975	1.2
267.06500	1.0
268.03656	0.3
269.04395	8.3
270.05035	0.8
271.02335	0.9
271.05942	4.4
272.06400	0.2
273.03879	2.0
273.07114	0.3
275.05350	2.2
279.06647	0.2
281.04367	4.9
281.07516	0.4
282.05093	0.7
283.02365	0.8
283.05936	2.4
284.03168	0.3
285.03937	4.3
285.07434	0.8
286.04599	0.3
287.05435	100.0
288.05682	1.9
291.04883	6.4
291.08359	0.4
293.04391	1.4
293.07492	0.3
295.02530	0.3
295.05948	1.9
297.03839	3.5
297.06937	0.3
299.05408	4.5
301.03436	0.8
303.05081	1.3
303.08411	0.6
305.04456	0.7
307.05920	1.0
309.03848	2.5
309.07492	1.0
311.05402	3.1
313.03372	0.7
315.05142	1.0
319.04773	1.6
321.03867	1.4
321.07584	0.7
323.05325	1.8
325.03271	0.8
327.04883	3.6
329.06696	0.3
331.05966	0.4
333.07529	0.9
335.05447	1.7
337.06525	1.8
339.05029	1.7
341.02841	1.1
341.06378	0.4
343.04663	0.2
345.07437	1.1
347.05325	0.8
348.06091	0.2
349.07065	1.5
351.04886	2.4
351.08652	0.2
353.06537	0.4
355.04565	1.0
359.05264	0.3
361.07062	2.4
363.04977	0.4
365.02646	0.3
365.06528	2.8
367.04398	0.2
369.06378	0.3
371.05209	0.4
372.88873	0.2
373.07114	1.3
375.04797	0.7
377.06616	1.7
379.04163	0.2
379.08353	0.2
383.07391	0.3
384.06042	0.2
385.06552	0.3
387.04855	0.2
389.01990	0.3
389.06491	4.2
391.08258	1.6
393.05777	2.2
394.06686	0.3
395.07550	2.8
397.05566	0.8
401.06345	1.3
403.07819	0.7
405.05801	1.0
407.07657	1.9
409.09167	3.8
411.07028	0.4
413.08722	3.7
415.07196	0.4
416.04028	0.3
417.05981	3.6
418.06110	0.2
419.07544	2.4
421.07315	1.0
423.06958	0.3
425.08530	1.2
429.05951	1.2
431.07178	0.7
433.07651	2.0
435.07007	11.2
437.08469	0.3
439.06439	0.8
441.05859	0.4
445.07541	1.4
447.07022	3.2
449.07883	0.7
451.06192	0.2
453.08493	0.2
455.08804	0.3
457.07529	1.9
459.07120	0.4
461.08359	0.3
463.08286	1.1
471.07889	0.4
475.08621	8.6
483.07117	0.3
491.08179	0.2
525.07922	1.7
529.08148	0.2
535.08777	0.2
541.11261	0.4
543.09058	2.7
553.09808	0.3
559.07385	0.2
561.10266	1.4
567.10754	0.8
569.10675	1.9
577.09015	0.3
581.09332	2.0
583.10773	1.7
585.12372	3.5
587.11993	1.9
593.09009	0.9
595.10272	1.2
601.11176	0.2
605.08661	1.2
609.12421	0.3
611.10010	0.4
623.00256	0.3
623.10193	8.6
624.09534	0.2
677.12268	0.2
689.10699	0.4
695.14154	2.9
707.12292	10.6
713.14819	6.8
731.12231	3.6
743.12225	3.1
749.13306	1.2
754.26117	0.2
761.13354	7.9
773.13757	1.2
851.13934	0.3
869.14423	1.7
877.16180	0.2
895.16589	0.7
913.18066	6.4
951.97968	0.2
1021.20325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96967	1.7
79.05481	86.0
81.03403	10.7
81.07046	100.0
83.04956	9.4
83.08613	19.5
85.02886	9.5
85.06551	3.0
91.03930	3.3
91.05464	73.7
93.07031	72.5
95.04950	18.2
95.08013	2.4
95.08595	50.3
97.02889	7.0
97.06511	12.7
97.10158	8.9
99.08064	2.0
102.01458	1.8
103.05482	2.4
105.07018	77.7
107.04932	8.8
107.08588	45.2
109.06512	11.3
109.10152	36.5
111.08096	2.8
115.05413	3.7
117.07013	27.3
119.04871	2.1
119.08576	50.5
121.06446	3.8
121.10110	26.4
123.08030	7.6
123.11665	7.3
125.09605	4.6
127.03923	3.2
128.06210	2.5
129.05501	2.3
129.06989	17.8
131.08557	35.1
133.01796	2.2
133.10136	37.0
134.10486	2.1
135.08047	7.5
135.11670	16.5
137.09627	4.2
141.07043	3.7
142.07800	2.9
143.08553	13.4
144.09309	2.2
145.10097	29.4
147.11667	25.1
149.09637	11.2
149.13255	10.7
155.08542	8.0
157.10138	15.8
159.11676	24.0
161.09599	2.4
161.13260	11.3
163.11163	8.9
169.10136	15.5
171.11668	18.3
173.11752	3.5
173.13242	9.3
175.11134	2.8
175.14792	2.2
177.12709	2.7
181.10104	3.7
183.11639	8.8
185.13219	10.1
187.11208	2.3
189.11223	2.4
195.11688	3.2
195.13667	2.4
197.13261	8.7
207.11807	2.7
209.13362	2.8
210.36319	2.0
211.14861	3.2
213.16518	2.4
221.13301	3.3
223.14822	2.0
227.12836	9.0
229.14342	11.8
241.19589	4.1
257.18936	9.8
259.20566	17.8
269.17496	19.5
273.96548	2.0
275.19980	25.3
293.20963	7.4
333.24194	15.6
349.23715	20.9
367.24744	12.5
423.27100	7.8
463.30533	15.6
487.34583	7.1
503.33572	9.2
513.35657	10.4
519.33264	2.4
525.35645	3.9
527.37085	18.8
543.36823	24.5
561.37195	10.2
607.43433	11.8
623.42755	8.2
625.44934	17.4
641.43890	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	1036.605
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83406	1.3
79.05479	64.6
81.03403	12.1
81.07042	100.0
83.04958	9.2
83.08613	19.5
85.02880	6.2
85.06512	2.7
91.03912	2.4
91.05461	57.3
93.07024	74.5
95.04958	14.1
95.08588	41.1
97.02854	2.6
97.06515	19.6
97.10145	10.3
99.04435	2.0
99.08085	3.1
105.04491	2.0
105.07019	50.6
107.04929	13.2
107.08580	47.5
109.02852	1.9
109.06508	9.4
109.10143	51.5
111.08059	5.8
115.05434	1.5
117.07004	23.1
119.08570	39.5
121.06474	7.8
121.10114	19.3
123.08045	6.9
123.11673	7.3
125.09605	12.6
127.03865	1.6
128.06178	2.9
129.06992	8.9
131.08540	29.2
133.06519	2.1
133.10107	29.2
135.08022	9.3
135.11702	19.4
137.09590	1.7
141.06973	2.3
143.08568	11.2
145.10124	21.4
147.08038	2.6
147.11674	16.8
149.09622	14.6
149.13261	19.5
151.11171	2.7
155.08492	6.0
157.10123	9.2
159.11662	17.5
159.15393	1.7
161.09566	1.7
161.13226	7.4
162.38304	1.6
163.11130	10.4
167.08539	2.3
169.10072	5.9
171.11690	10.1
173.04408	1.6
173.11731	7.5
173.13214	6.8
175.11209	3.4
177.11295	1.5
177.12708	7.3
179.14267	1.8
183.11684	3.0
187.11179	1.6
187.14821	2.1
189.11162	3.2
195.13757	2.2
201.12526	1.6
207.11510	2.0
209.13171	1.6
213.16429	1.6
227.12776	12.3
229.14333	17.5
229.19464	2.0
239.18016	2.5
247.20340	2.0
255.15916	3.5
257.18900	7.8
269.17410	23.8
273.18362	2.1
275.20065	37.8
293.21136	2.7
314.90332	1.7
349.23639	28.4
367.24744	6.6
389.21558	1.8
405.93161	1.5
409.25702	2.9
423.27423	18.3
431.27805	2.1
445.29434	5.8
449.28772	7.1
463.30374	33.2
503.33331	15.5
515.36896	2.2
521.34625	3.2
525.35498	3.4
529.35034	6.7
543.36707	63.1
561.37799	16.7
567.31390	2.6
607.34235	3.5
623.43073	16.3
641.44257	15.6
659.45288	2.2
687.40741	3.5
705.41394	6.0
753.47693	1.6
911.96893	1.7
949.34851	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	1036.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73940	5.8
74.13019	5.0
79.05478	74.5
80.61725	5.2
81.07048	100.0
83.04967	7.8
83.08613	22.8
91.05447	77.2
93.07028	86.9
95.04951	12.3
95.08608	43.4
97.06499	21.1
97.08613	5.6
105.07016	45.0
107.04927	10.7
107.08555	55.7
109.10126	39.1
117.06993	24.4
119.08580	50.2
121.10130	26.6
125.09628	7.0
129.07008	5.5
131.08597	48.5
132.08569	6.1
133.10129	38.2
135.11688	21.5
143.08559	7.9
145.10129	26.7
147.11681	7.2
149.09639	11.2
149.13258	12.5
159.11702	26.1
161.13185	7.3
161.24107	5.6
163.11159	6.7
171.11684	8.7
218.07050	5.4
229.14351	7.3
229.19566	6.4
255.15938	8.5
257.19083	10.0
269.17484	22.6
274.27307	8.0
275.20108	37.7
344.69739	6.1
349.23633	28.7
396.45383	6.1
423.27341	11.3
427.32388	6.8
449.28833	7.1
463.30585	24.2
503.33517	11.5
529.34827	9.5
543.36523	48.9
561.37457	9.8
623.42853	10.2
641.43811	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02898	3.8
75.97067	2.4
79.04783	2.7
79.05481	87.8
80.66310	2.9
81.03403	15.3
81.07043	98.5
83.04980	13.2
83.08598	19.8
85.02901	13.6
85.06534	3.4
91.05463	100.0
93.07025	90.8
93.07568	4.6
95.04948	30.0
95.08580	58.3
97.02900	4.8
97.06532	16.1
97.10153	5.1
103.05434	3.4
105.07020	78.6
105.07664	4.8
107.04945	17.7
107.08589	50.0
108.62154	2.3
109.02871	4.2
109.06543	10.3
109.10163	52.1
111.04429	3.0
111.08031	3.9
113.09624	2.5
117.06993	40.2
119.08566	73.4
121.10139	34.7
123.08045	4.4
123.11677	4.6
125.09658	10.3
127.03889	3.0
128.06245	4.8
129.06961	23.9
131.08549	52.6
133.06418	4.2
133.10095	49.1
135.08063	13.3
135.11732	18.4
137.09674	3.8
141.06976	5.0
143.08586	19.7
144.09412	3.4
145.10118	44.5
147.08064	2.7
147.11702	31.9
149.09618	14.6
149.13260	10.8
155.08557	16.4
157.10120	28.4
159.08046	2.6
159.11650	28.5
161.13258	13.2
163.11191	15.2
167.08519	3.4
169.10081	15.8
171.11720	26.2
173.11703	10.8
173.13251	17.9
175.14848	4.3
181.10097	4.8
183.11668	13.7
185.13239	13.6
192.93620	2.6
195.11647	5.1
197.13185	5.5
209.13350	3.3
211.14810	3.4
219.11551	2.5
223.14774	4.7
227.12790	4.3
229.14366	16.2
237.16255	2.7
239.17938	3.6
241.19505	5.5
257.18994	11.1
259.20551	25.4
269.17416	9.9
275.20047	18.3
333.24222	12.0
349.23727	6.2
435.32507	5.7
458.66144	3.1
487.33878	4.0
505.35373	26.2
509.36011	4.8
513.36053	5.0
527.37317	47.2
543.36713	5.5
544.36920	3.0
545.38361	6.1
558.35291	3.1
559.36768	3.6
607.43591	27.7
625.44519	24.7
635.38580	4.8
639.45648	5.4
653.40503	5.3
671.41034	12.1
687.50360	3.2
689.42761	28.0
718.81006	3.1
979.77405	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	1034.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02892	3.5
79.05479	88.0
81.03413	16.7
81.07044	87.2
83.04970	14.3
83.08613	20.7
85.02895	14.3
85.06522	2.9
91.03943	8.2
91.05467	100.0
93.07027	84.8
95.04963	23.6
95.08593	58.3
97.02884	10.5
97.06517	20.8
97.10147	11.6
99.04438	2.9
99.08092	2.1
100.80956	1.5
103.05421	2.5
105.04472	2.1
105.07021	91.7
107.04971	15.4
107.08586	46.9
109.02860	8.4
109.06524	10.8
109.10157	24.5
111.08076	7.9
115.05437	6.1
117.07008	37.5
119.08567	59.9
121.06482	9.3
121.10113	25.2
123.08072	7.1
123.11701	3.1
125.09625	8.8
127.03909	7.8
128.06224	6.8
129.05470	1.6
129.07007	25.4
130.07826	2.4
131.08556	55.4
133.06541	2.6
133.10112	42.1
135.08067	7.3
135.11664	21.0
137.09630	4.0
139.11180	2.0
141.06975	10.5
142.07784	3.5
143.08548	25.7
145.06494	2.4
145.10123	40.0
147.11687	32.4
149.09608	15.6
149.13246	11.4
151.11168	1.7
155.08536	13.7
156.09180	2.2
157.06549	2.0
157.10110	24.4
159.08063	2.7
159.11673	29.8
161.09665	3.2
161.13205	15.2
163.11171	9.4
167.08533	8.3
169.10103	19.6
171.11659	15.8
173.04402	1.6
173.09610	1.8
173.11760	3.3
173.13245	13.4
175.11211	3.1
175.14764	3.4
177.12737	3.0
179.08478	1.8
181.10121	10.3
183.11644	12.9
185.13261	13.7
187.14835	3.5
189.11171	3.0
189.12741	2.4
193.10211	2.7
195.11714	9.9
197.13269	12.8
199.14848	8.2
207.11703	3.9
209.13335	7.3
211.14839	6.7
213.16409	2.2
221.13249	2.5
223.14830	3.3
225.16406	3.1
227.12657	6.1
229.14258	4.0
231.21223	1.8
237.16498	2.8
239.17964	3.9
240.84964	1.6
241.19556	6.7
251.17928	2.5
257.19031	7.3
259.20477	18.1
261.22067	1.6
267.15952	2.4
269.17471	7.4
273.18469	4.0
275.20068	23.4
301.21725	1.7
309.21979	2.1
315.23236	2.8
333.24362	20.7
349.23758	22.9
435.32355	4.1
462.10733	2.0
487.34183	2.1
509.36252	6.8
513.35626	7.7
515.37799	3.0
525.35693	2.5
527.37292	62.5
533.61853	1.8
543.36530	3.1
559.39386	2.2
569.37573	2.5
593.37805	2.1
607.43524	36.2
623.42334	2.4
625.44641	20.5
635.38947	7.2
639.46075	14.3
653.40948	12.9
671.40930	14.6
689.42651	34.1
741.59949	2.3
769.49219	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	1034.6282
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	3.0
73.28649	2.2
79.05476	80.3
80.85513	2.2
81.03425	19.3
81.07040	89.7
83.04951	13.9
83.08627	19.6
85.02900	10.8
85.06554	2.8
91.03927	4.6
91.05463	100.0
92.08637	5.7
93.07024	85.8
95.04932	22.1
95.08588	53.7
96.08913	2.8
97.02869	4.7
97.06522	15.4
97.10143	13.7
98.95597	2.1
105.07013	90.6
107.04922	11.7
107.08580	55.1
109.06517	10.4
109.10139	40.9
111.08044	9.4
115.05407	3.2
117.06982	36.9
119.08565	65.2
121.06506	4.9
121.10139	27.7
123.08047	4.7
125.09636	3.4
127.03848	2.7
128.06186	3.1
129.06969	21.6
131.08545	43.3
133.10103	49.8
134.10516	2.6
135.11684	19.1
141.06981	4.4
143.08542	29.4
145.04944	2.5
145.06538	4.2
145.10106	41.2
147.11661	34.8
149.09563	4.5
149.13242	11.7
155.08585	13.5
157.10135	16.6
159.08055	2.7
159.11713	30.4
161.09552	2.8
161.13191	18.8
163.11130	5.0
166.07922	2.5
167.08456	2.5
169.10097	17.4
171.11646	23.3
173.11794	4.2
173.13231	14.5
175.11150	3.3
175.14799	4.8
181.10115	3.8
183.11681	14.4
185.13223	13.3
195.11668	4.1
197.13210	5.8
199.14804	10.1
209.13263	3.7
211.14771	4.1
221.13316	4.0
227.12682	4.4
229.14275	20.0
239.17953	2.8
241.19475	5.7
259.20587	25.0
269.17337	4.9
275.19937	17.6
333.24078	17.9
349.23749	12.0
354.98923	3.0
375.84332	2.6
487.33698	11.9
505.34915	31.4
509.36096	3.8
513.35760	4.7
527.37347	34.0
543.36444	9.9
544.37146	9.4
545.37708	3.8
607.43359	33.1
624.42657	3.7
625.44421	26.9
639.46143	4.8
653.40771	3.5
671.41357	4.4
689.43097	22.8
725.95074	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	1034.589
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56448	1.9
79.05477	76.5
81.03410	15.4
81.07040	99.3
83.04971	10.1
83.08610	31.1
85.02898	9.4
85.06520	7.7
91.05465	58.5
93.07024	66.4
95.04927	19.6
95.08583	35.5
97.02872	12.3
97.06522	15.0
97.10139	20.1
104.17950	1.8
105.07021	58.0
107.04935	19.8
107.08578	51.3
107.19604	1.8
109.06550	16.8
109.10144	48.7
111.04449	3.7
111.08091	7.9
113.03821	1.9
117.06995	24.2
118.64098	1.7
119.08567	41.6
121.06473	10.8
121.10140	24.5
123.08058	10.5
123.11658	3.7
124.15970	1.9
124.55282	1.8
125.08801	2.7
125.09619	17.4
126.84753	1.7
128.06247	3.1
129.06955	8.8
131.08545	27.0
133.06485	8.4
133.10097	33.4
135.08005	14.4
135.11653	14.0
137.09584	10.3
138.96228	1.8
141.06909	1.9
142.07776	3.1
143.08542	4.7
145.06491	7.8
145.10091	24.0
147.08049	10.6
147.11668	15.0
149.09636	11.7
149.13258	8.3
151.11189	4.8
153.09119	2.8
155.08525	2.1
157.10094	9.9
159.08080	4.1
159.11644	14.9
161.09613	4.8
161.13232	2.4
163.11198	13.3
165.09003	2.8
169.10124	4.0
171.11665	3.0
173.11658	7.5
173.13120	3.9
175.11200	3.3
177.12740	3.7
183.11743	2.1
187.11063	2.4
189.11185	7.1
191.14400	2.4
193.12125	2.8
195.11714	2.5
195.13863	2.5
197.13304	3.1
198.13478	2.0
203.14273	2.4
205.12192	4.2
223.13257	24.9
227.12733	17.9
229.14281	16.5
253.14258	4.5
257.18982	4.0
269.17413	15.5
273.18396	29.3
275.19986	26.0
291.19510	100.0
331.22324	2.4
347.22232	3.7
349.23715	21.5
365.23105	35.5
367.24957	4.5
382.11148	2.1
418.50269	2.3
452.14240	2.0
519.25891	3.3
519.33124	59.2
541.34973	10.7
545.34845	2.5
559.36200	81.7
577.36774	9.9
599.38947	2.3
621.41138	4.1
636.13257	2.4
639.42426	57.1
644.81067	2.5
657.43536	25.4
663.36346	2.7
699.25909	2.0
783.47540	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	1034.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	2.6
73.23120	1.7
79.05482	86.5
81.03403	19.7
81.07043	94.3
83.04965	17.8
83.08613	22.7
83.44622	1.9
85.02901	13.3
85.06528	2.2
91.05466	100.0
92.09336	2.2
93.07028	82.4
95.04948	31.4
95.08591	56.6
97.02884	12.7
97.06522	20.9
97.10152	11.0
99.04482	2.0
99.08040	2.6
103.05399	2.0
105.04490	2.0
105.06358	3.3
105.07026	59.0
107.04943	20.6
107.08589	49.2
109.02878	2.1
109.06509	14.9
109.10143	26.5
111.08052	8.3
113.31573	1.8
115.05460	3.9
117.07009	29.4
119.08571	47.3
121.06498	3.2
121.10133	24.2
123.08059	8.2
123.11716	3.5
125.09625	9.5
127.03905	2.8
127.48100	2.1
128.06203	3.7
129.06978	14.1
130.07759	2.8
131.08557	32.5
133.06509	3.7
133.10121	28.3
135.08096	6.9
135.11685	18.2
137.09602	8.1
141.06996	3.9
142.07875	2.3
143.08549	12.4
144.09291	2.2
145.10121	25.6
147.08049	3.7
147.11674	17.4
149.09641	23.2
149.13243	9.6
151.11081	2.4
155.08516	3.2
157.10095	8.8
159.11667	17.4
161.09608	2.7
161.13275	4.5
163.11188	13.9
167.08528	2.9
169.10089	3.4
171.07857	2.4
171.11655	3.6
173.11749	2.8
173.13249	3.8
175.11194	3.9
177.12695	4.2
179.14310	2.5
183.11626	2.3
185.13322	2.7
187.11087	2.9
189.11140	2.3
224.94739	2.1
227.12764	2.6
229.14456	7.8
239.17776	2.6
255.15831	8.4
257.19128	3.4
269.17331	17.7
273.18466	8.0
275.20032	31.9
291.19467	10.4
299.19885	2.1
349.23654	30.9
365.23203	4.2
409.25916	4.1
423.27274	12.5
449.29123	2.5
503.33151	4.1
529.35040	8.7
543.36670	23.6
561.37494	3.9
623.42261	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	1034.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	2.2
79.05478	82.4
81.03407	21.4
81.07044	99.6
83.04974	19.4
83.08601	20.3
85.02906	15.1
85.06535	2.8
86.59496	1.6
90.54324	1.5
91.03941	2.8
91.05466	100.0
93.07024	92.6
95.04951	32.1
95.08587	59.8
97.02870	19.0
97.06516	28.1
97.10152	18.2
99.04454	2.2
99.08128	2.2
103.05444	2.6
105.04555	2.2
105.07023	89.0
107.04948	21.7
107.08589	48.7
109.02858	1.9
109.06511	10.8
109.10146	40.0
111.08091	8.7
113.09591	2.3
115.05457	3.4
117.07011	29.0
119.08562	61.0
121.06467	8.2
121.10118	21.7
123.04429	1.8
123.08073	8.3
123.11730	3.3
125.09637	8.1
127.03880	2.8
128.06238	4.0
129.05481	3.4
129.06967	16.7
131.08543	36.0
133.06529	2.2
133.10120	37.8
134.68915	1.9
135.08081	11.6
135.11655	21.6
136.27203	1.7
137.09618	13.9
139.11243	2.0
141.07028	4.0
142.07816	2.2
143.08510	15.0
145.06517	3.3
145.10110	30.4
147.11710	18.5
149.09593	27.0
149.13258	11.5
151.11118	1.9
155.08606	6.9
157.02322	2.0
157.10118	10.2
159.11662	25.7
161.09610	2.8
161.13257	10.0
163.11217	16.3
164.54309	1.8
165.09140	3.0
169.10121	7.6
171.11694	11.6
173.09564	2.2
173.11725	8.1
173.13257	11.3
177.12752	8.9
181.10161	2.3
183.11703	4.2
185.13292	7.8
187.11079	2.1
187.14902	2.3
189.11223	4.2
189.12816	1.8
195.11682	3.3
195.13762	2.2
197.13277	4.3
217.91095	1.8
223.13188	1.7
226.59499	1.9
227.12706	7.7
229.14314	10.9
230.83287	1.9
239.17938	2.1
255.15852	6.7
257.18976	10.3
259.20566	2.1
267.15942	2.5
269.17484	12.9
273.18451	3.8
275.20047	45.7
291.19531	8.6
293.20984	2.8
349.23709	42.5
365.23245	4.4
367.25479	2.1
409.25824	7.0
423.27286	13.3
449.29410	2.0
486.99655	2.1
503.33658	11.1
511.33786	2.0
527.37402	2.3
529.34991	3.9
543.36786	29.0
607.43396	2.4
623.43042	19.0
624.43671	7.6
625.43884	2.3
641.44421	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	1034.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02879	4.0
79.05476	88.9
81.03400	24.2
81.07039	92.8
83.04971	16.9
83.08611	22.8
85.02890	13.7
85.06554	3.1
91.05461	100.0
91.06004	4.5
93.07024	82.7
95.04958	33.2
95.08594	49.0
97.02891	13.7
97.06509	14.7
97.10152	32.7
99.08112	2.2
103.05448	2.8
105.04495	2.6
105.07017	78.4
107.04942	22.1
107.08597	49.5
109.06525	13.7
109.10144	30.2
111.04417	3.0
111.08080	12.1
114.38750	2.4
117.06988	34.1
119.08559	52.9
121.06476	11.4
121.10099	23.7
123.08047	12.6
123.11713	3.8
125.09591	26.1
127.03889	3.1
128.06207	8.9
129.05438	9.0
129.06985	20.6
131.08534	35.7
133.06497	4.3
133.10107	36.7
135.08070	10.1
135.11699	14.0
137.09598	11.3
139.11276	2.8
141.06966	2.7
143.08574	13.7
145.10101	30.7
147.08080	9.9
147.11665	24.8
149.09610	16.3
149.13249	3.8
153.09106	3.3
155.08542	4.3
157.08755	2.6
157.10078	16.3
157.26225	2.4
159.08061	2.8
159.11668	20.5
161.09616	8.7
161.13232	11.9
163.11177	12.0
169.10153	9.4
171.10298	2.4
171.11688	11.7
173.09621	4.0
173.13297	9.2
175.11221	3.3
181.10243	2.3
181.12218	3.7
183.11649	4.7
185.13152	3.2
187.14847	4.4
189.11237	17.1
227.12720	23.2
229.14384	3.7
241.19429	2.3
245.13889	3.1
255.17459	2.4
257.18948	2.7
259.20551	14.5
269.17560	4.0
273.18555	16.0
275.19992	29.1
291.19409	16.6
331.22803	2.9
333.24112	15.5
349.23682	27.0
365.23120	8.0
383.24249	3.2
399.23834	4.2
503.33563	10.1
559.35913	7.9
577.37201	2.5
623.42548	19.8
639.42328	3.6
641.43909	13.5
657.43628	9.0
675.43945	3.2
771.52722	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	1034.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02851	2.5
79.05481	92.3
81.03400	21.1
81.07044	100.0
83.04963	17.8
83.08599	12.7
85.02888	20.1
85.06547	4.0
90.88496	2.5
91.03921	4.5
91.05466	98.5
92.79453	2.3
93.07028	81.2
95.04952	28.8
95.08595	57.8
97.02866	11.7
97.06501	17.1
97.10141	14.4
101.71142	2.6
103.05458	3.7
105.07021	66.0
107.04929	15.1
107.08584	49.5
109.06516	11.6
109.10147	31.9
111.08100	4.8
115.05494	3.8
117.07000	32.9
119.08572	52.2
121.06477	9.9
121.10116	21.9
123.08067	6.0
123.11644	3.2
127.03901	4.2
128.06172	3.9
129.06982	21.1
130.07838	2.9
131.08551	42.3
133.06451	3.7
133.10120	36.2
135.11682	12.9
137.09569	2.8
141.06973	5.6
143.08542	15.0
145.10110	29.3
147.11635	19.9
149.09593	22.5
149.13257	6.2
155.08522	6.3
157.10072	22.0
159.02855	2.7
159.11681	17.5
161.09549	4.1
161.13280	10.1
163.11185	10.9
167.08499	4.4
169.10103	14.0
171.11664	9.6
173.11761	2.7
173.13237	12.0
181.10051	2.9
183.11720	12.8
185.13252	4.2
185.37733	3.5
189.11206	4.9
197.13252	4.8
229.14276	4.1
253.14267	3.1
259.20508	11.2
269.17474	4.3
275.20068	21.0
291.19452	3.9
333.24274	4.4
335.26001	3.1
349.23822	18.2
513.35938	22.1
543.36359	5.3
571.69293	3.1
607.43195	16.0
625.44269	12.0
707.51556	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	1034.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02913	3.8
73.06588	2.9
79.05477	97.1
81.03393	16.8
81.07047	100.0
83.04964	24.7
83.08606	25.2
85.02879	19.0
85.06534	4.0
91.03903	3.6
91.05466	98.7
93.07027	82.9
95.04951	35.9
95.08595	43.7
97.02856	6.5
97.06522	25.3
97.10167	17.7
105.04518	4.2
105.07021	85.4
106.76275	2.8
107.04951	16.7
107.08585	51.0
109.06522	17.9
109.10139	21.6
111.04420	5.4
117.07003	37.7
119.08566	65.5
121.06469	13.2
121.10160	29.8
123.08053	15.4
125.09605	12.5
128.06210	5.4
129.05469	5.9
129.06982	18.3
130.42311	3.6
131.08557	39.8
133.10135	47.0
135.08028	13.3
135.11705	15.3
137.09575	5.4
141.06944	7.0
143.08546	18.1
145.10104	31.0
147.08063	13.0
147.11646	26.6
149.09608	14.8
149.13223	4.6
153.09084	4.2
155.08537	5.1
157.10117	20.5
159.11676	20.2
161.09563	6.1
161.13258	7.6
163.11166	15.2
167.08578	4.0
169.10139	5.4
171.11702	17.7
173.09550	6.0
173.13216	5.1
175.11107	11.3
175.14746	5.1
183.11673	6.5
185.13202	11.4
189.11200	4.3
195.11668	4.9
197.13203	7.3
227.12692	5.5
229.45203	3.5
241.19453	13.9
245.19061	3.6
257.18933	6.7
259.20599	12.7
269.17456	7.2
273.18515	16.3
275.20029	15.9
291.19577	24.8
333.24045	14.8
349.23807	15.9
365.23169	16.3
383.24142	3.1
505.35153	4.5
527.37042	7.1
559.36462	4.6
577.36993	4.6
623.42841	18.0
625.44501	4.0
639.42590	5.0
641.43781	7.6
657.42834	13.7
689.42273	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	1025.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	1.7
79.05446	1.5
81.03413	0.7
81.07072	1.6
85.02917	4.6
91.03943	1.5
91.05479	3.1
93.07043	1.5
97.02921	3.5
101.02422	1.2
104.96368	0.7
105.07030	1.5
113.31532	0.8
119.08548	1.1
131.08611	0.7
133.10132	1.4
141.81116	0.7
147.11742	0.8
196.01939	0.8
209.63382	0.8
243.08463	1.4
347.09644	3.4
351.21658	1.6
363.09344	0.8
365.10632	1.2
405.13568	6.8
535.28601	6.7
569.29541	4.2
697.34021	7.6
731.34637	4.4
731.46851	0.9
1025.56360	100.0
1026.57813	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	1023.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	1.4
79.05490	2.0
81.03443	1.2
81.07077	4.4
85.02929	4.3
91.03968	1.3
91.05471	2.2
92.63926	1.0
93.07019	2.0
95.08572	1.2
97.02897	5.7
98.93636	0.8
103.78548	0.8
105.07014	1.3
115.87126	0.8
133.10233	1.2
219.64819	0.9
243.08430	1.4
264.23822	1.0
333.20444	1.8
347.09515	1.1
405.13281	6.8
439.19583	2.3
453.21158	1.9
472.82040	1.1
502.67300	1.1
551.28430	10.7
614.43152	1.1
615.25378	1.3
713.33771	11.9
809.85095	1.2
861.51178	1.8
1023.54810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02892	3.6
79.05467	3.9
81.03394	2.8
81.07032	3.1
85.02878	9.7
91.03925	2.8
91.05470	6.8
93.07027	2.4
95.04938	2.2
97.02859	4.0
105.07000	3.4
119.08562	2.3
133.10097	2.0
163.84654	1.7
185.04118	2.9
214.99146	1.5
242.91112	1.8
243.08406	3.9
254.51752	1.7
284.51401	1.8
293.12927	1.7
295.34100	1.9
347.09576	6.3
363.08936	2.0
405.13586	10.8
547.23370	3.9
551.27979	8.2
627.25641	4.2
643.24683	2.8
697.33594	3.7
713.32733	10.5
850.82880	2.3
937.47498	67.0
953.88995	1.9
1005.52582	10.6
1022.52728	9.5
1023.54688	100.0
1024.54553	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	1023.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	1.6
79.05482	4.0
80.82088	0.7
81.03418	1.7
81.07056	4.7
85.02911	3.0
91.03930	1.0
91.05485	3.5
93.07051	4.1
95.04957	1.3
97.02898	3.6
101.02388	1.1
105.07051	3.3
107.08583	0.8
109.10108	0.8
119.11132	0.7
131.57562	0.8
134.34709	0.8
185.24281	0.7
243.08539	1.3
253.02211	0.8
284.20810	0.8
290.50571	0.8
328.36377	0.8
333.20575	4.0
347.09650	1.6
365.10550	1.1
405.13809	5.1
439.19510	1.7
453.20767	1.3
487.89609	0.8
551.28143	9.2
596.36383	0.9
601.24597	1.0
609.56921	0.9
615.25800	1.2
646.54651	0.9
699.45502	0.9
713.33575	9.5
738.67023	1.1
819.03833	0.9
914.67535	0.9
1023.54810	100.0
1024.56177	1.0
1045.34277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
86.33302	0.6
87.67700	0.5
90.01836	0.4
91.05473	0.6
92.08634	1.0
105.03381	0.6
106.80912	0.5
107.04953	3.2
111.00822	1.3
111.04421	2.2
119.04896	2.1
121.02849	18.0
123.04421	8.2
127.03931	1.3
131.04903	2.2
135.04376	2.1
139.03891	16.3
141.07042	0.5
145.06473	2.3
147.04382	6.1
149.02338	16.2
151.03899	3.6
153.01826	4.1
155.03401	1.1
157.06506	1.0
159.04393	2.1
161.02298	0.8
161.05959	2.3
163.03879	6.2
167.03354	10.8
169.06433	1.8
171.04381	1.2
171.07967	0.6
173.05983	3.1
175.03899	2.4
179.03372	1.0
181.04988	1.1
181.06494	1.8
183.04355	0.8
185.05972	1.2
187.03864	4.7
187.07542	0.8
189.01837	1.1
191.03331	4.0
193.04900	0.8
197.05948	4.2
199.03844	0.9
199.07491	0.6
201.05466	2.7
203.03387	4.2
205.04852	1.3
207.02872	3.0
209.06020	0.6
213.05434	2.3
215.03564	1.8
215.05136	1.0
215.07007	20.3
217.04903	0.7
219.02878	4.7
225.03625	0.7
225.05542	2.5
229.04988	5.4
229.74257	0.5
231.06433	8.5
233.04401	2.6
234.77045	0.5
235.02309	2.2
237.05505	1.0
239.03329	1.0
239.06976	0.8
241.04851	4.6
242.05725	6.9
243.02835	0.9
243.06494	9.3
245.04361	4.8
245.86824	0.5
253.04897	4.7
255.02730	1.2
255.06549	3.6
257.04428	13.1
259.02118	0.8
263.05493	2.5
265.04922	3.3
267.02771	0.9
267.06577	0.9
269.04352	2.5
270.04959	0.7
271.05963	100.0
272.06186	1.1
273.03772	2.2
275.05380	1.0
277.05054	0.6
279.06223	0.5
281.04376	2.1
283.06046	4.4
285.03806	2.3
287.05246	4.2
291.04843	7.8
293.04300	0.6
293.08014	2.3
295.06000	2.8
297.03806	3.5
299.05432	1.0
303.04947	0.6
307.05920	0.9
309.03909	2.2
311.05502	1.9
315.05164	0.7
319.04706	0.9
321.03854	0.8
321.07556	0.8
323.05386	0.8
325.03156	0.7
327.05139	1.2
331.05640	0.6
333.07419	0.6
337.05814	0.6
339.04907	1.0
341.02798	1.8
345.07431	2.3
349.07022	3.1
351.04944	1.2
355.04950	0.5
357.07513	0.9
361.06909	1.1
369.06702	0.6
373.06937	2.5
375.08496	0.9
377.06528	0.9
379.08063	2.2
385.07022	1.0
387.08487	0.6
391.08191	1.3
397.09039	2.8
401.06525	2.8
401.64456	0.6
403.07996	2.1
409.09146	4.8
413.06363	0.7
419.07538	11.4
431.07349	3.4
433.07471	1.0
435.06479	0.7
445.07892	0.7
457.07782	0.8
463.09012	0.7
475.08774	10.1
489.07321	0.7
509.08536	1.0
527.09558	2.5
545.10706	1.1
553.10712	1.1
565.09442	2.9
567.10767	1.0
571.12085	1.2
577.10327	0.9
583.10632	1.0
585.12726	3.6
607.10809	8.1
679.13800	2.2
691.12939	9.5
697.15369	6.4
715.13092	3.9
727.11987	2.3
733.13672	1.0
745.13995	11.3
835.15161	0.7
853.15210	1.1
897.18732	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	1023.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02919	0.3
91.05443	0.7
95.04950	1.1
105.03339	0.3
107.04945	3.6
109.02866	0.4
111.00774	0.7
111.04407	1.5
115.05424	0.4
117.06986	0.4
119.04877	1.8
121.02839	17.2
121.03811	0.7
123.04399	7.8
127.03867	2.7
129.06975	0.3
131.04903	2.1
135.04391	1.8
137.02397	0.5
139.02800	0.6
139.03876	16.8
141.06964	1.5
145.02824	0.6
145.06500	2.1
147.04388	6.0
149.02328	14.6
149.05957	0.3
151.03882	3.0
153.01755	3.8
153.05435	0.3
153.06946	0.4
155.03339	2.6
155.04767	0.4
157.06424	1.4
159.04401	1.6
159.07990	0.4
161.02328	0.7
161.05949	1.4
163.03876	5.6
165.01776	0.4
165.05443	0.6
167.03362	11.1
169.06412	2.7
171.04359	0.5
173.02295	0.5
173.05988	2.8
175.03850	2.3
177.01788	0.3
177.05464	1.2
179.03415	2.5
181.04913	0.6
181.06410	0.7
183.04378	0.3
184.05124	0.5
185.05965	1.6
187.03856	5.3
187.07504	1.3
189.01787	1.6
189.05437	1.7
191.03357	6.0
193.04858	0.6
197.05945	3.9
199.03860	1.3
200.04483	0.4
201.01723	0.3
201.05418	2.4
203.03360	4.2
203.06895	0.3
205.04945	1.9
207.02855	3.4
209.05945	0.5
211.03949	0.6
213.05420	3.3
215.03409	1.6
215.06984	18.7
217.04918	1.5
219.02870	5.4
225.05638	2.2
226.06340	0.5
227.03394	2.3
227.06937	0.5
229.04861	4.3
231.02858	1.7
231.06435	7.0
233.04332	2.5
235.02261	2.1
237.05461	0.5
239.03352	2.0
239.06888	0.5
241.04898	3.9
242.05666	7.2
243.02817	1.8
243.06458	9.3
245.04364	3.1
247.02229	0.6
251.05392	0.4
253.04916	3.9
255.02779	0.7
255.06454	2.9
257.04391	14.9
258.05023	0.5
259.02444	1.1
263.05444	1.8
265.04849	2.9
265.08469	1.2
267.02805	1.2
267.06464	2.2
269.04367	4.6
269.07480	0.4
270.05115	0.7
271.05942	100.0
272.06277	1.8
273.04074	2.0
275.05536	1.7
279.06451	0.4
281.04367	2.8
281.07401	0.5
283.05881	4.2
285.03870	2.9
285.06805	0.3
287.05249	2.8
289.08582	0.4
291.04852	6.3
293.04453	1.1
293.07996	1.7
295.02664	0.5
295.05902	4.7
297.03952	2.2
299.05380	1.6
301.03522	0.5
303.05106	1.4
307.05865	1.6
308.06552	0.4
309.03857	1.9
309.07059	0.4
311.05280	2.1
312.16653	0.3
313.03452	0.6
315.05099	1.3
317.07977	0.5
319.05484	1.5
321.03839	1.1
321.07550	2.4
323.05377	2.0
325.03442	0.5
327.04926	2.8
329.02908	0.4
329.07895	0.5
331.06131	0.6
333.07379	0.6
335.05588	0.6
337.02899	0.3
337.05899	0.4
339.04837	0.7
341.02899	0.6
343.05051	0.3
345.07550	2.4
347.09094	0.4
349.03275	0.4
349.06989	3.1
351.04901	1.7
355.04681	0.5
357.07233	0.6
359.05130	0.4
361.06976	1.8
363.08670	0.5
367.04269	0.6
369.06799	0.3
373.06937	3.0
375.08649	0.7
377.06342	1.7
378.07230	0.4
379.08160	2.8
381.07159	0.3
385.06772	1.4
387.08215	0.5
389.06528	0.6
391.08112	2.8
393.05869	0.6
397.09467	3.4
401.06320	2.8
403.08191	2.5
407.07980	0.3
409.09299	4.3
411.07294	0.4
413.06409	1.4
415.07596	0.4
419.01740	0.4
419.07501	12.1
421.07721	0.6
427.08524	0.3
429.06024	1.1
431.07391	2.3
433.07449	1.4
435.07407	0.5
437.08130	0.4
439.06610	0.5
443.07092	0.4
445.07663	0.5
457.07715	1.3
459.07056	0.5
463.08505	1.9
473.08405	0.4
475.08621	9.6
509.08432	2.1
525.10864	0.5
527.09753	2.8
545.10303	2.0
553.11298	2.0
561.10309	0.9
565.10022	2.3
567.11127	2.0
571.12146	1.7
577.09528	0.5
579.10846	0.4
583.10718	0.5
585.12079	3.1
589.09680	0.6
607.10767	9.1
609.11646	0.4
611.09900	0.4
679.14191	1.9
691.12854	11.4
697.15247	6.7
715.12891	3.5
727.13104	3.2
733.13641	1.3
745.13947	9.2
757.13568	1.8
835.12396	0.4
853.14880	1.3
879.16962	0.6
897.18329	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	1021.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	0.7
73.02914	1.1
76.35661	0.8
79.05482	6.8
81.03420	1.6
81.07033	5.7
85.02911	3.4
91.03944	1.4
91.05478	4.9
93.07027	6.4
94.42731	1.0
95.04976	0.8
95.08614	4.4
97.02887	4.7
101.02381	1.3
105.07040	4.1
107.08594	2.6
109.10159	1.0
117.07008	1.3
118.89763	0.9
119.08598	1.9
121.10162	1.2
125.09619	0.9
131.08568	1.8
133.10165	1.2
135.08067	0.8
145.10179	1.2
203.05421	1.0
223.13237	1.0
243.08565	1.6
291.19720	1.5
292.78311	0.9
335.26050	1.5
347.09512	1.0
405.13565	6.2
453.21503	1.0
549.26678	6.0
551.28363	3.9
681.28296	1.2
697.34930	1.3
701.12036	0.9
711.31769	3.1
713.33954	3.9
975.49261	4.6
1003.51373	1.1
1021.53265	100.0
1022.52881	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	1020.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	2.5
73.02892	2.2
79.05476	79.7
81.03381	5.5
81.07040	100.0
83.04955	7.0
83.08606	18.3
85.02895	9.4
85.06516	4.7
91.03946	3.6
91.05460	91.3
92.05796	1.2
92.09244	1.4
93.07024	86.5
95.04947	17.5
95.08584	52.2
97.02865	2.5
97.06515	10.2
97.10174	8.6
99.08031	1.4
101.95708	1.0
105.04501	1.4
105.07016	90.4
107.04971	8.5
107.08583	47.4
109.06493	8.8
109.10148	41.3
111.08070	5.7
113.09667	1.1
115.05421	2.5
117.06988	33.5
119.08563	74.2
121.06491	5.7
121.10121	34.9
123.08047	2.4
123.11715	8.5
125.09607	5.3
127.03914	1.5
128.06189	4.6
129.05489	1.3
129.06984	23.6
130.07777	1.6
131.08548	43.9
133.06487	1.3
133.10107	49.4
135.08052	7.1
135.11673	17.0
137.09566	4.6
141.06975	6.2
142.07727	1.8
143.08549	21.4
145.06471	1.3
145.10101	37.4
147.07968	1.3
147.11671	39.9
149.09619	8.6
149.13235	13.8
151.11174	2.2
151.14784	1.1
155.07440	1.1
155.08545	10.8
155.10709	1.2
157.06500	1.2
157.10101	23.0
159.08031	1.3
159.11667	30.0
161.09572	2.3
161.13214	18.2
163.11148	6.5
163.14845	1.5
165.12726	1.6
167.08495	2.4
169.10085	13.8
170.10809	1.4
171.11665	20.5
173.09592	1.3
173.11697	5.1
173.13242	15.8
175.11116	2.3
175.14784	6.9
177.12679	4.7
179.14352	1.2
181.10085	5.9
182.10852	1.3
183.11639	13.5
185.13225	16.2
187.11093	1.3
187.14793	4.5
189.12737	1.3
195.11589	6.2
197.13255	10.4
199.14845	11.3
203.14401	1.2
207.11717	2.4
209.13220	4.2
211.14815	5.6
213.16371	6.7
215.17874	1.2
221.13266	1.9
223.14847	1.5
225.16457	1.4
227.12755	1.6
229.14326	10.8
231.17331	1.4
231.20999	1.9
237.16258	1.3
239.18010	1.8
241.19482	14.7
245.19099	1.2
253.19702	1.4
257.18936	5.1
259.20511	44.0
261.22049	1.3
267.15631	1.5
269.17371	14.9
275.20032	20.2
277.21527	1.5
283.20615	1.1
293.21115	5.6
315.23154	4.2
327.23111	1.1
333.24179	45.4
335.25507	1.8
349.23627	10.8
351.25204	1.3
367.24887	16.3
421.30960	1.5
435.32449	2.1
453.33752	2.1
487.34198	8.9
505.35086	17.5
509.35974	3.8
513.35474	11.0
515.37592	5.5
527.29822	2.1
527.37280	58.1
533.39563	5.0
545.38324	16.9
551.41101	3.4
607.43549	44.0
608.44250	1.8
625.44629	55.9
631.38446	2.0
635.39728	1.8
643.45416	8.8
653.40344	1.8
671.41217	5.1
689.42261	6.1
733.46259	1.8
769.47729	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	1018.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	3.9
73.02892	2.0
79.05476	77.1
81.03409	10.3
81.07040	92.0
83.04974	4.2
83.08614	16.4
85.02900	10.1
85.06532	3.2
91.03943	6.9
91.05463	49.9
93.07033	73.1
95.04955	15.9
95.08583	44.4
97.02869	7.4
97.06510	12.5
97.10175	8.0
99.04392	1.6
105.04501	2.8
105.07019	39.8
106.07159	1.6
107.04948	8.9
107.08580	51.9
109.06483	3.6
109.10149	33.0
111.04436	1.8
111.08073	4.4
115.05460	1.9
117.06276	2.7
117.06987	18.8
119.08550	26.3
121.06487	2.4
121.10134	34.4
123.08090	2.0
123.11664	2.0
129.06989	6.9
131.08540	28.5
133.10114	25.4
135.08035	3.2
135.11691	18.6
135.63922	1.6
137.09648	2.0
141.07047	2.1
143.08545	2.9
145.10080	17.9
147.11681	10.9
149.09621	8.2
149.13251	13.6
157.10127	6.8
159.11665	15.7
161.13216	3.3
163.11160	6.7
165.12784	2.3
169.10048	2.7
171.11777	2.1
173.11859	2.1
173.13278	8.0
175.11177	1.8
181.10025	1.8
185.13258	3.0
195.13754	3.1
229.14325	8.5
232.96883	1.8
239.17999	2.8
243.20963	2.3
257.18964	2.9
261.22119	7.8
269.17453	8.8
269.70319	2.0
275.19949	13.7
335.25739	57.1
349.23779	14.6
381.26181	3.5
413.21472	3.9
489.35699	13.6
529.38794	100.0
530.38147	2.0
569.41766	7.9
609.45093	47.0
627.46149	7.0
637.40833	2.3
641.47772	18.3
655.41125	2.6
673.43036	19.3
691.43427	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	1018.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01331	1.7
71.04984	6.6
73.02897	3.0
77.03905	1.2
79.05476	79.3
81.03407	19.9
81.07038	100.0
83.04967	16.6
83.08603	17.5
85.02889	9.9
85.06512	4.3
91.03931	2.9
91.05461	73.3
92.09291	1.2
93.07024	77.8
95.04951	22.5
95.08586	41.1
97.02873	9.5
97.06518	18.5
97.10149	8.2
99.04408	1.6
99.08053	3.8
103.04694	0.7
103.05454	1.7
105.04491	1.8
105.07018	52.0
107.04947	15.6
107.08577	52.3
108.08879	0.9
109.02884	2.7
109.06494	9.4
109.10136	17.4
111.04384	0.7
111.08085	8.9
113.09602	1.4
115.05420	3.2
117.07001	25.9
119.08559	34.6
120.05790	0.8
121.06450	6.4
121.10124	23.9
123.04427	1.0
123.08037	4.6
123.11679	5.1
125.09595	7.8
127.03919	3.1
128.06200	2.7
129.05461	1.2
129.07011	9.5
130.07747	1.6
131.08539	31.9
133.06461	2.7
133.10107	32.1
135.08015	9.2
135.11659	22.6
137.09605	3.7
141.06966	4.6
142.07790	1.2
143.08539	9.1
145.06458	2.9
145.10094	26.2
147.08014	4.0
147.11684	16.9
149.09587	14.1
149.13251	14.3
151.11168	3.2
155.08531	5.9
156.09377	1.1
157.06396	0.8
157.10080	9.5
159.08051	1.0
159.11673	20.5
161.09604	1.5
161.13231	5.5
163.11147	12.2
165.12755	0.9
167.08464	2.8
169.10127	7.5
171.11673	7.8
173.04364	3.4
173.09535	0.9
173.13232	6.8
175.11145	4.5
175.14795	1.2
177.12738	5.4
179.14273	2.9
181.10019	1.1
183.11647	4.7
185.09659	0.9
185.13248	3.9
187.11145	1.1
187.14746	3.2
189.11197	1.6
195.11903	2.0
195.13771	7.6
197.13200	3.7
199.14766	1.5
201.12685	1.0
202.74777	0.8
207.11540	0.8
207.96049	0.9
211.14842	1.5
215.14288	1.2
227.12680	4.3
229.14317	0.8
229.19481	2.9
239.17917	3.2
245.13869	1.2
247.20584	1.6
249.14850	1.0
255.15796	11.6
257.18988	8.1
267.15927	1.6
269.17404	30.9
275.20013	30.0
291.19485	0.9
293.21033	3.1
331.22568	3.4
347.21982	1.0
349.23666	29.6
367.24844	6.3
371.25476	1.0
413.21515	1.5
423.27628	1.2
431.27795	1.2
433.30817	1.1
435.27316	1.8
435.32892	0.9
445.29175	1.4
449.28864	26.1
461.28809	0.8
463.30475	35.7
503.33298	1.6
515.37543	1.1
523.15192	0.9
525.35559	6.9
529.35016	9.7
543.36700	53.6
544.36951	1.7
547.35553	1.8
561.37689	9.6
589.32947	1.2
607.34491	5.1
623.42871	10.0
627.36884	0.9
641.44257	8.4
659.43500	1.4
674.25281	0.9
687.41034	5.7
705.41901	1.4
969.13287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	0.8
71.04997	5.5
73.02912	1.3
77.03938	0.9
79.05477	75.8
80.51506	0.7
81.03404	17.1
81.07042	100.0
83.04971	16.2
83.08607	19.1
85.02893	11.4
85.06531	4.3
91.03944	1.4
91.05462	70.5
92.09395	1.3
93.07025	79.5
95.04411	0.7
95.04950	25.1
95.08587	42.7
97.02879	9.1
97.06515	19.7
97.10157	9.2
99.04439	1.1
99.08092	1.8
99.83073	0.7
103.05444	3.6
105.04509	3.2
105.07017	63.9
107.04950	14.4
107.08587	51.2
109.02853	2.0
109.06506	11.2
109.10147	19.3
111.04424	1.7
111.08066	6.8
111.11818	0.9
113.06006	1.0
113.09602	0.8
115.05411	3.7
116.06245	1.1
117.07001	30.6
119.04928	1.1
119.07712	1.8
119.08565	45.5
119.09392	1.8
120.08908	1.1
121.06471	8.0
121.10120	24.2
123.04427	1.1
123.08039	5.5
123.11652	6.5
125.09585	9.4
127.03897	5.8
128.06195	4.0
129.05522	1.1
129.07001	14.0
130.07820	1.4
131.08549	33.8
133.06450	3.6
133.10118	32.7
135.08076	6.4
135.11684	19.8
137.09602	1.7
139.11197	3.1
141.07004	5.0
142.07784	3.2
143.08560	13.4
143.34315	0.8
144.09303	1.0
145.06523	1.8
145.10118	24.3
146.10477	1.0
147.08064	3.6
147.11673	16.1
149.09604	16.9
149.13249	13.8
151.11197	4.7
154.07776	1.2
155.08548	7.4
157.10109	10.1
159.08014	0.9
159.11671	21.4
161.09634	3.4
161.13243	4.6
163.11166	12.4
165.12770	1.8
167.08591	1.4
169.10127	6.1
171.11668	5.9
173.04420	1.8
173.09642	1.3
173.11893	1.5
173.13179	9.0
175.11095	1.3
175.14755	1.5
177.12701	5.9
179.08548	1.1
179.14334	1.7
181.10127	3.1
181.12169	1.5
183.11603	5.6
185.13223	4.1
187.11150	3.4
187.14754	1.2
189.11142	1.8
195.11713	3.9
195.13795	5.8
197.13258	4.3
199.14734	1.3
205.12175	1.1
207.11766	0.9
207.13754	1.3
210.14102	1.0
211.14841	1.5
213.12891	0.8
213.16338	1.2
227.12787	3.9
227.18056	0.9
229.19469	2.8
233.13055	0.9
237.16422	0.9
239.17955	3.9
247.20636	1.9
251.16469	1.1
255.15860	9.1
257.19016	8.8
259.20374	1.3
267.15912	3.7
269.17444	32.4
269.20251	1.5
273.17990	0.9
275.20026	34.0
293.21118	4.0
331.22705	1.0
333.24323	1.4
349.23679	37.1
367.25046	6.7
413.21729	1.6
423.27478	1.7
431.27890	1.2
433.29883	1.5
435.27100	1.3
445.29633	1.9
449.28925	25.1
451.31476	1.3
463.30557	31.5
469.32764	1.1
503.33746	3.1
515.37305	1.0
519.32916	1.5
523.31940	0.9
525.35321	8.8
529.35388	14.2
543.36731	51.1
547.36023	1.9
561.37891	14.9
593.33295	1.1
605.41718	1.3
607.34937	3.2
623.43115	14.7
641.44116	7.8
658.43707	0.9
659.44952	1.5
687.40656	3.4
705.41791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	7.3
73.02898	4.4
79.05477	93.1
81.03406	17.0
81.07041	85.2
83.04962	15.1
83.08608	15.1
85.02901	16.6
85.06534	4.3
90.07730	1.1
91.03934	4.3
91.05465	100.0
92.05769	1.3
93.07028	85.1
94.07352	1.7
95.04951	25.8
95.08587	48.8
97.02874	15.7
97.06510	13.6
97.10139	9.1
99.08062	2.2
103.05450	2.4
105.04536	1.6
105.07018	93.5
106.07345	1.5
107.04921	15.9
107.08587	51.7
109.02885	1.5
109.06509	11.7
109.10146	26.8
111.04417	1.6
111.08076	5.3
113.09673	1.6
115.05463	5.9
117.06380	0.9
117.07007	46.2
119.08569	60.2
121.06479	7.8
121.10126	29.0
123.08047	5.6
123.11689	5.1
125.09629	8.3
127.03900	5.9
128.06223	7.8
129.05504	1.3
129.06998	25.2
130.07750	2.4
131.04922	1.3
131.08549	44.9
133.06470	1.9
133.10112	43.9
134.10402	1.5
135.08069	5.6
135.11685	17.5
137.09607	4.7
141.06976	7.1
142.07758	4.8
143.08559	26.2
144.09264	1.9
145.05008	1.4
145.06346	3.1
145.10103	32.7
147.08003	4.7
147.11667	24.8
149.09593	14.3
149.13274	9.0
150.11234	1.1
151.11186	5.4
153.06944	1.2
155.08528	12.8
156.09319	1.7
157.10117	20.8
159.08000	2.0
159.11671	24.6
161.09589	4.6
161.13214	13.3
163.11169	11.5
165.06909	1.3
165.12843	1.8
167.08540	4.4
169.10071	16.1
170.10806	1.4
171.08014	1.4
171.11661	17.2
173.09595	1.2
173.11768	2.2
173.13248	13.1
175.11185	2.0
175.14847	4.1
177.12804	2.6
179.14326	2.0
181.10104	9.3
183.11676	16.9
185.09619	1.5
185.13268	10.5
187.11215	1.2
187.14792	2.3
189.11174	2.6
190.58578	1.4
193.10130	2.3
195.11757	8.0
195.13454	1.3
196.12502	1.4
197.13260	8.2
199.11250	2.1
199.14806	6.9
201.12694	2.2
201.16331	1.1
207.11760	2.4
209.13225	2.2
211.14754	1.6
213.16370	2.1
215.17979	1.2
221.13310	2.0
223.14854	2.0
225.16455	1.2
227.12750	2.5
229.14339	4.8
235.14816	2.5
237.16374	2.1
239.18037	1.5
241.19495	4.3
255.15794	1.8
257.18912	8.8
259.20596	14.8
267.21115	1.1
269.17316	14.3
273.18521	2.6
275.19989	24.5
291.19650	2.6
293.21207	2.2
315.23233	2.1
331.22647	1.6
333.24304	11.3
335.25818	5.0
347.22482	1.3
349.23654	18.7
421.30832	1.5
449.29007	2.0
463.30502	6.4
487.34061	2.7
501.35608	1.7
513.35651	22.0
515.38617	1.9
525.35419	1.5
527.37231	16.7
529.34772	1.7
533.39972	1.9
543.36920	13.3
545.38733	1.7
561.37067	1.4
567.39880	1.7
607.43481	21.7
623.42505	5.3
625.44586	18.3
641.43829	4.1
1026.52136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	2.6
73.02892	5.9
79.05476	82.1
81.03403	11.8
81.07040	86.7
83.04974	14.3
83.08604	13.9
85.02892	20.6
85.06544	2.3
91.03935	7.6
91.05461	100.0
93.07024	74.5
93.48236	1.0
95.04946	23.1
95.08584	44.5
97.02865	18.3
97.06525	10.8
97.10142	2.3
99.04447	1.4
99.08080	5.2
103.05448	4.8
103.60728	1.1
105.04485	1.5
105.07014	82.7
107.04945	8.2
107.08583	36.2
109.02908	2.1
109.06518	8.8
109.10159	18.9
111.08068	4.5
115.05449	7.7
117.06231	1.8
117.07007	37.6
119.04920	1.8
119.08566	58.2
119.09399	2.5
121.06486	4.9
121.10128	22.6
123.08064	5.0
123.11695	2.1
125.09590	2.0
127.03914	6.8
128.06201	6.5
129.06990	31.7
130.07735	3.8
131.08545	40.5
133.06477	2.6
133.10100	36.8
133.11031	1.9
135.07019	1.2
135.08038	5.7
135.11696	11.1
137.09618	4.6
141.06984	7.2
142.07762	7.1
143.08536	23.7
145.05008	2.1
145.06432	1.5
145.10121	29.6
147.08055	1.8
147.11673	22.4
149.09579	8.5
149.13243	10.1
155.08543	13.6
157.10110	21.7
159.07988	2.0
159.11649	22.1
161.09671	2.1
161.13261	11.9
163.11171	1.9
163.14844	1.4
167.08521	6.4
168.09363	2.1
169.10126	13.2
171.11653	20.2
173.09645	1.4
173.13193	11.6
175.11111	2.3
175.14769	1.5
177.12697	2.3
181.10165	7.3
183.11681	11.4
185.13269	12.5
187.11255	1.9
187.14856	5.6
195.11685	6.6
195.13748	1.3
197.13263	7.5
199.14841	2.9
201.12555	1.2
201.16403	1.9
202.51880	1.3
207.11696	1.6
209.13274	5.2
211.14856	4.9
213.16315	4.8
221.13310	1.9
223.14912	1.8
225.16434	2.3
239.17854	4.3
241.19453	6.5
257.19003	2.7
259.20514	13.8
269.17401	11.2
275.20035	7.3
333.24194	13.8
335.25769	1.9
343.22192	1.4
349.23605	8.6
415.26437	1.3
435.32199	1.9
445.29968	1.3
453.32864	1.3
463.30521	1.3
513.35339	2.3
527.37158	14.8
533.79944	1.6
543.36969	2.1
545.38434	1.7
567.40186	1.6
607.43317	5.2
609.45020	32.6
625.44403	4.7
653.40222	1.4
771.48901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04976	17.0
79.05474	99.8
81.03396	20.2
81.07043	93.4
81.66994	3.8
83.04945	5.5
83.08604	21.6
84.55862	4.5
85.02886	17.2
85.53119	3.7
86.12327	4.2
91.05463	100.0
91.44727	4.1
93.07034	92.8
95.04964	24.2
95.08590	60.6
97.02886	17.5
97.06488	17.5
97.10184	7.2
97.38791	3.9
103.05421	6.1
105.07032	98.9
107.04940	16.4
107.08592	51.1
109.06522	16.2
109.10147	29.5
113.09637	4.9
117.07003	41.8
119.08568	62.7
121.10130	23.3
123.08012	5.6
128.06158	6.3
129.06979	35.1
131.08563	57.1
133.06476	6.4
133.10112	45.9
135.11647	16.9
141.06926	8.6
143.08519	40.3
145.10103	40.9
147.11667	27.2
149.09605	15.4
155.08556	16.5
156.09343	5.0
157.10114	28.4
159.11662	32.1
161.13181	18.1
163.11203	6.7
169.10095	23.1
171.11639	21.5
173.13228	8.2
179.08479	5.5
181.10098	8.0
183.11580	7.0
185.13246	16.4
194.79486	4.9
197.13188	6.4
241.19524	6.3
259.20517	21.0
275.20044	9.2
333.24158	20.8
349.23639	10.2
513.35852	37.3
527.37677	37.4
535.46228	4.6
584.58685	5.8
599.12317	4.5
607.43463	69.2
610.81635	5.1
625.44653	39.9
633.40857	4.6
759.84875	4.6
856.00958	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	1016.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04976	17.0
79.05474	99.8
81.03396	20.2
81.07043	93.4
81.66994	3.8
83.04945	5.5
83.08604	21.6
84.55862	4.5
85.02886	17.2
85.53119	3.7
86.12327	4.2
91.05463	100.0
91.44727	4.1
93.07034	92.8
95.04964	24.2
95.08590	60.6
97.02886	17.5
97.06488	17.5
97.10184	7.2
97.38791	3.9
103.05421	6.1
105.07032	98.9
107.04940	16.4
107.08592	51.1
109.06522	16.2
109.10147	29.5
113.09637	4.9
117.07003	41.8
119.08568	62.7
121.10130	23.3
123.08012	5.6
128.06158	6.3
129.06979	35.1
131.08563	57.1
133.06476	6.4
133.10112	45.9
135.11647	16.9
141.06926	8.6
143.08519	40.3
145.10103	40.9
147.11667	27.2
149.09605	15.4
155.08556	16.5
156.09343	5.0
157.10114	28.4
159.11662	32.1
161.13181	18.1
163.11203	6.7
169.10095	23.1
171.11639	21.5
173.13228	8.2
179.08479	5.5
181.10098	8.0
183.11580	7.0
185.13246	16.4
194.79486	4.9
197.13188	6.4
241.19524	6.3
259.20517	21.0
275.20044	9.2
333.24158	20.8
349.23639	10.2
513.35852	37.3
527.37677	37.4
535.46228	4.6
584.58685	5.8
599.12317	4.5
607.43463	69.2
610.81635	5.1
625.44653	39.9
633.40857	4.6
759.84875	4.6
856.00958	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	1016.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05472	54.2
81.03407	12.0
81.07037	60.5
83.04952	8.7
83.08604	16.1
85.02888	5.9
85.06498	1.5
91.04888	1.7
91.05460	48.3
91.06003	2.0
93.07022	47.3
95.01302	1.0
95.04936	20.3
95.08583	27.8
97.02862	13.0
97.06499	11.8
97.10131	16.2
99.08050	1.1
103.05449	1.2
105.04527	1.2
105.07011	34.9
107.04945	12.7
107.08578	34.3
109.02855	2.2
109.06496	7.3
109.10146	17.6
111.04440	1.2
111.08075	5.0
111.11757	1.0
115.05452	1.5
117.06993	17.9
119.08559	26.2
121.06492	8.2
121.10107	14.8
123.08038	4.8
123.11678	2.1
123.94729	1.0
125.09594	11.4
128.06197	1.7
129.07025	8.3
130.07770	1.8
131.04927	1.1
131.08546	19.7
133.06508	5.6
133.10107	19.6
135.08012	7.3
135.11679	9.7
137.09587	3.8
141.06943	1.4
142.07765	1.1
143.08537	8.3
145.06488	1.7
145.10133	13.8
147.08034	7.5
147.11697	8.2
149.09586	7.4
149.13194	9.0
151.11125	4.2
153.09085	1.5
157.10112	5.6
159.11696	9.3
161.09581	4.0
161.13220	3.7
163.11183	4.3
171.11649	4.7
173.13255	1.6
175.11234	2.0
177.12764	1.7
177.68488	1.2
181.10120	1.8
183.50191	1.0
189.11211	2.1
193.12265	1.6
195.13766	2.5
205.12221	1.4
223.13271	21.7
227.12749	6.4
245.19049	1.6
249.14851	4.5
253.14307	4.7
255.15797	3.8
257.18921	4.1
269.17432	18.5
273.18423	14.4
275.20044	11.8
291.19489	95.6
311.25854	2.5
312.26099	2.4
347.22092	2.5
349.23645	11.1
360.42737	1.1
365.23157	42.8
367.24390	1.6
461.28815	1.5
527.33734	1.4
541.34851	6.3
545.34662	19.0
559.36176	100.0
560.36865	2.5
583.35852	1.4
621.41223	1.8
639.42432	27.1
657.43445	7.0
703.39526	5.7
953.99866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	47.5
59.99923	16.8
60.95848	17.5
67.51067	11.1
76.51582	12.4
77.00895	3.1
78.00990	2.9
78.12279	2.1
79.01850	9.8
81.01453	2.3
83.01525	12.9
88.02353	28.1
90.02013	5.4
96.02029	5.1
97.02849	4.2
98.00740	3.4
101.00876	4.0
101.02536	100.0
102.02238	5.3
103.63596	2.4
117.44758	2.2
118.03513	11.2
119.01895	53.5
119.03590	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01328	1.2
73.02908	1.7
77.03909	1.4
79.05476	85.7
80.06245	1.3
81.03413	15.2
81.07040	91.9
83.04967	18.9
83.08604	20.7
85.02885	5.5
85.06529	7.1
91.05465	91.5
92.63815	1.0
93.07024	75.0
94.04140	1.9
95.04948	37.6
95.08588	45.0
97.02889	14.4
97.06516	14.6
97.10148	16.3
99.04444	2.1
99.08020	1.7
100.23299	1.1
103.05456	6.4
105.04485	2.3
105.07017	66.5
106.10178	1.1
107.04949	37.0
107.08585	48.7
109.02829	2.0
109.06506	17.1
109.10147	27.1
111.04378	2.0
111.08073	7.6
112.23434	1.4
113.06013	2.3
115.05474	4.5
117.06230	1.8
117.07006	36.8
119.04906	2.9
119.08559	50.7
121.02824	1.3
121.06466	13.1
121.10116	19.2
122.07252	2.3
123.04427	2.0
123.08017	9.5
123.11694	5.6
125.09633	15.9
128.06207	5.0
129.05495	1.4
129.06976	15.7
130.07726	1.4
131.04903	2.2
131.07628	2.3
131.08546	38.5
133.06519	12.1
133.10109	34.8
135.04494	1.1
135.08057	12.8
135.11703	13.0
137.05966	1.6
137.09627	5.9
141.06978	6.3
142.07729	1.8
143.08553	15.5
145.06506	5.0
145.10098	26.0
147.08029	19.5
147.11710	16.2
149.09601	12.0
149.13205	8.7
151.11201	4.6
155.08525	7.3
157.10083	12.6
159.08052	2.6
159.11650	16.3
161.09573	11.0
161.13235	7.0
162.10368	1.6
163.11147	12.7
163.14644	1.2
165.09044	2.3
169.10081	8.1
171.10313	1.2
171.11610	9.2
173.04419	1.3
173.09540	1.6
173.13203	8.8
175.11214	2.2
175.14882	2.3
177.12706	5.5
179.08423	1.5
179.14203	1.8
181.10086	1.4
183.11652	5.2
185.09627	1.5
185.13269	2.4
187.11134	2.3
187.14833	4.5
189.11230	2.5
193.12103	1.4
195.13863	2.2
197.13196	2.4
199.14883	2.7
205.12355	2.0
213.16423	1.4
215.14386	1.9
223.13260	23.0
227.12660	8.3
233.15324	2.7
241.19485	2.4
245.18822	1.6
249.14801	6.5
253.14244	8.3
255.15872	2.1
257.18936	6.5
259.20596	8.4
261.14844	1.9
267.15802	1.8
269.17410	9.7
273.18463	21.2
275.20020	18.7
290.18915	1.4
291.19504	100.0
307.19009	1.2
310.31290	1.1
315.22983	3.1
331.22470	2.4
333.24216	12.9
335.18253	1.3
347.22058	5.9
349.23700	18.1
365.23196	44.3
367.24908	1.6
381.22794	11.8
461.28485	1.8
480.66949	1.3
513.35187	1.6
519.32977	2.3
541.34888	5.2
545.34473	18.7
559.36255	77.6
599.39026	1.6
605.41968	2.5
621.41174	7.4
623.42639	6.3
639.42505	82.6
640.42462	2.8
657.43414	14.5
703.39636	4.8
801.47626	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	1007.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.6
73.02914	2.8
75.92811	0.4
79.05483	2.4
81.03418	1.0
81.07053	3.0
85.02905	4.8
91.03970	2.3
91.05495	2.8
93.07046	2.7
95.04973	0.8
95.08610	1.8
97.02898	3.8
101.02391	0.9
105.07043	2.9
107.08592	0.7
109.10199	1.0
119.08552	0.6
127.03981	0.9
131.08562	0.9
145.10138	0.6
185.04295	0.7
201.03662	0.5
243.08583	2.1
259.07776	0.6
263.32837	0.5
333.20389	0.9
347.09677	3.1
365.10757	0.7
369.57303	0.6
405.13681	7.5
453.21069	0.8
477.16425	0.7
482.73895	0.7
535.28656	4.7
551.28082	6.8
697.34027	3.2
713.33093	5.6
785.35913	0.7
1007.55365	100.0
1008.55670	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	1007.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	0.4
73.02904	2.6
74.41499	0.4
77.31649	0.3
78.90199	0.4
79.05095	0.4
79.05474	2.8
81.03416	0.6
81.07043	3.9
85.02902	3.5
91.03951	1.8
91.05473	2.8
93.07032	2.9
95.04967	0.6
95.08592	0.7
97.02879	4.2
101.02394	0.7
105.07047	2.1
107.08620	1.8
109.02901	0.5
117.07079	0.5
119.08585	1.6
127.03902	0.8
131.08554	1.0
133.10124	0.9
145.10172	0.6
147.11719	0.6
185.04247	0.6
187.57811	0.4
200.75392	0.4
243.08548	2.3
333.20468	1.6
347.09354	2.8
363.09399	0.6
365.10477	0.7
405.13580	5.8
428.90634	0.4
439.19571	0.9
453.21039	1.7
453.76831	0.4
463.14325	0.5
477.15802	0.5
535.28949	3.2
551.28046	5.4
553.86584	0.4
615.26544	0.5
697.34235	3.5
713.33472	5.6
845.50281	1.6
1006.52960	0.7
1007.55334	100.0
1008.55310	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	1007.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01348	0.8
71.33612	0.4
73.02908	3.7
79.05479	4.1
81.03397	1.6
81.07045	4.4
83.04986	0.5
85.02887	6.7
91.03972	2.5
91.05479	2.3
93.07024	3.7
95.08625	3.0
97.02869	7.3
99.04417	0.8
101.02377	0.9
105.07054	2.6
107.08617	1.7
109.10237	0.4
117.07072	0.6
119.08604	2.4
121.10168	1.0
127.03925	1.8
131.08556	0.6
133.10126	0.9
147.11804	0.6
149.00476	0.5
159.11693	0.5
184.48241	0.4
185.04230	0.7
203.05255	0.5
243.08456	2.5
347.09467	5.0
349.19748	2.0
363.09290	1.9
365.10583	1.0
405.13614	8.8
463.14139	0.7
465.21255	2.8
519.29266	5.7
535.28363	1.6
567.27905	3.0
627.26184	4.1
681.34491	8.5
697.33923	2.5
729.33295	2.1
759.42426	0.7
845.50610	0.6
891.47162	1.0
909.46838	0.6
921.47839	19.9
989.54486	3.3
1007.55341	100.0
1008.55273	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	1007.224
Annotation	Unknow
Peak:m/z	Relative Intensity
73.18568	0.7
77.36217	0.6
79.10903	0.6
79.15044	0.7
84.37418	0.8
91.05443	1.5
95.04964	0.9
95.92239	0.7
96.99274	0.7
98.99686	0.8
105.03397	1.5
107.04956	1.6
116.52351	0.7
119.04909	3.0
121.02837	16.1
121.83353	0.8
123.04414	9.4
127.03915	0.9
131.04865	1.3
133.06407	0.8
135.04382	0.9
139.03888	4.2
141.07007	1.0
145.06473	1.2
147.04407	8.7
147.05498	1.0
149.02328	8.4
151.03897	23.0
153.01814	3.5
155.03391	1.5
157.06477	2.9
159.04361	1.1
161.05972	0.9
163.03889	3.9
167.03317	0.8
169.06488	1.4
171.04376	1.5
173.02292	1.8
173.05992	4.3
175.03851	4.1
179.03438	3.0
181.06487	1.5
184.05220	0.7
185.05873	1.1
187.03838	6.2
189.01959	1.4
189.05431	3.1
191.03337	4.5
197.05998	4.1
199.03906	1.1
199.07593	0.9
201.05464	4.3
203.03404	5.1
205.04871	0.9
209.05989	0.8
213.05522	1.7
215.03339	3.4
215.06985	12.0
217.04907	3.8
225.05481	1.8
229.04948	4.6
231.06467	5.2
233.04367	0.9
235.02289	1.4
235.06064	1.0
237.05374	1.8
239.06949	1.3
241.04950	3.5
242.05716	12.2
243.06415	5.7
245.04436	2.8
249.05380	0.9
253.04866	5.2
255.06570	3.3
257.04385	14.1
263.05634	0.9
265.04868	2.9
267.06595	1.4
269.04453	3.7
270.05252	0.8
271.05957	100.0
272.06293	1.0
275.05344	2.9
279.06448	1.3
281.04398	3.2
283.06027	4.6
287.05484	3.1
293.04645	1.1
293.07867	1.6
295.05872	2.9
297.03903	1.4
299.05490	1.8
307.06113	3.4
309.03912	1.3
311.05499	4.2
321.07489	1.4
323.05557	1.2
325.03430	1.7
327.05115	0.8
329.08014	0.8
331.05859	0.8
345.07535	0.9
349.07040	2.9
353.06512	1.2
357.07639	1.2
373.06894	3.5
377.06439	1.0
391.07889	3.6
401.06625	1.5
403.08014	3.0
405.08136	1.3
409.08929	4.5
413.08633	1.7
415.07785	1.0
417.08212	1.4
419.07614	12.3
425.34866	0.8
427.09802	0.9
429.07794	1.0
431.07462	5.2
441.07898	1.4
443.08777	0.9
447.08478	0.9
459.09192	7.7
527.09601	4.3
545.09857	1.2
549.09772	1.4
551.11499	1.3
563.11633	1.1
569.12512	4.2
571.12250	1.6
573.09363	1.2
575.09583	1.0
591.11145	12.1
675.13312	11.8
676.13989	0.9
679.13684	3.7
697.15887	6.4
699.13342	3.7
711.12811	4.6
729.14813	10.2
771.87683	0.8
837.16748	1.0
881.19525	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	1005.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02918	3.1
79.05473	6.1
81.03410	1.6
81.07050	5.1
83.04961	1.0
85.02904	5.3
91.03957	3.5
91.05485	5.4
92.05795	0.7
93.07043	4.6
95.04977	1.3
95.08620	3.5
97.02910	3.5
101.02403	0.7
105.07038	4.5
106.07390	1.2
107.08614	3.3
117.07040	1.0
119.08603	3.6
127.03896	1.0
129.07065	1.3
131.08575	1.7
133.10130	1.4
145.10175	0.9
147.11771	1.0
243.08534	1.3
252.41812	0.8
280.43091	0.8
280.51614	0.8
301.08847	0.8
314.65979	0.7
331.18698	2.3
347.09656	3.5
357.18387	0.7
405.13623	7.5
451.19449	1.3
463.14932	0.9
531.25378	1.3
535.28973	4.8
549.26953	2.7
559.24640	0.9
602.11157	0.7
697.33771	4.9
711.32471	1.4
907.46704	3.7
987.53589	5.0
1005.53809	100.0
1006.54163	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	1002.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16858	1.3
71.04987	1.9
79.05472	44.4
81.03390	2.1
81.06585	1.4
81.07031	41.7
81.07472	2.0
83.04960	2.9
83.08604	14.4
85.02889	2.6
91.05459	44.0
91.51394	1.3
93.07018	39.8
95.04960	8.4
95.08584	22.8
95.20330	1.3
97.02895	1.3
97.06523	2.6
97.10152	21.0
105.07003	40.5
107.04910	4.7
107.08581	39.2
109.06532	2.3
109.10146	14.7
111.08091	1.5
113.46413	1.3
117.06982	18.6
119.08558	32.9
121.10085	9.7
123.11694	3.1
125.09621	16.3
128.06207	2.9
129.06982	13.9
131.08557	20.2
133.10094	26.4
135.08037	2.3
135.11674	6.6
137.85976	1.2
141.00262	1.2
141.06982	2.7
142.07716	2.9
143.08540	17.8
145.06506	1.6
145.10129	20.6
147.11684	12.9
149.09602	2.8
149.13251	5.6
155.08559	9.1
156.09239	1.9
157.10110	13.8
159.11652	13.6
161.09560	1.4
161.13234	8.5
163.14737	1.5
167.08521	3.1
169.10094	11.7
171.11644	13.2
173.13283	9.5
175.14813	2.3
179.08528	2.2
183.11673	13.6
185.13252	9.9
187.14755	1.7
189.11176	7.1
193.10135	2.1
195.11708	6.7
197.13297	10.5
199.14870	6.9
209.13245	3.2
211.14871	5.1
213.16457	2.3
223.14987	2.3
227.12712	11.7
235.14786	2.2
237.16403	1.5
239.18010	3.3
241.19463	5.1
243.15805	2.8
257.19000	2.9
259.20578	6.3
275.20145	10.1
333.24255	10.1
347.27371	1.3
349.23642	8.2
365.28445	6.0
383.29111	1.6
426.94446	1.9
439.32260	3.0
513.35944	5.5
515.38818	2.8
533.39740	6.1
543.36725	2.5
551.41290	2.2
589.42639	2.6
607.43396	53.0
625.44550	100.0
626.44379	2.4
675.53497	1.4
735.76489	1.7
787.49963	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	1002.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04965	1.7
72.05605	0.9
73.02899	1.1
79.05476	57.2
81.03395	2.7
81.07043	43.5
81.20451	0.9
83.04967	4.2
83.08598	17.7
85.02882	4.6
85.06535	1.5
91.05463	49.7
93.07025	44.6
93.07636	1.4
95.04956	7.4
95.08593	26.2
97.02853	1.8
97.06499	4.8
97.10153	24.6
100.63057	1.2
105.04482	1.2
105.07014	53.2
107.04919	4.5
107.08583	38.9
109.06509	4.6
109.10150	16.8
111.08072	2.2
115.05427	2.6
117.06990	23.8
119.08556	32.0
121.10130	16.5
122.13631	1.0
123.08021	1.6
123.11689	6.0
125.09599	19.7
125.10427	1.4
128.06189	4.2
128.64679	0.9
129.06975	15.4
131.04897	0.9
131.08553	25.0
131.45418	1.0
133.10115	32.9
135.08032	4.9
135.11699	10.2
141.06960	5.7
142.07742	4.0
143.08530	16.9
145.10106	26.8
147.08037	2.0
147.11655	19.2
149.09612	2.7
149.13232	4.2
153.09024	1.5
155.08525	9.8
156.09354	1.2
157.10109	17.2
159.11664	15.1
161.13240	12.9
163.11174	1.7
167.08528	4.2
168.09381	2.5
169.10121	9.7
171.10246	1.7
171.11633	16.6
173.13251	11.7
175.14839	2.2
181.10156	4.4
182.60905	1.2
183.11636	13.3
185.13202	13.3
187.14801	2.4
189.11182	9.9
193.10052	1.8
195.11687	5.9
197.13211	11.6
199.14783	7.8
205.10117	1.6
207.11607	1.7
209.13220	5.8
211.14819	6.5
213.16472	1.4
219.11598	1.2
221.13229	1.9
223.14841	2.2
225.16388	4.7
227.12718	10.1
229.19513	1.2
233.13141	1.4
237.16225	1.6
239.17934	2.0
241.19473	6.6
243.15874	4.2
249.16347	1.4
253.21822	1.2
257.18973	2.5
258.05460	1.2
259.20560	15.0
267.21075	1.3
275.20053	11.1
315.23099	2.0
333.24298	10.9
349.23929	10.1
363.26373	1.4
365.28400	7.8
381.31586	1.9
383.29449	2.1
421.30884	1.9
439.31992	2.7
485.32526	1.4
503.33789	2.3
513.35162	4.9
515.38690	4.7
526.15601	1.3
533.39886	8.1
551.40436	1.6
589.42804	2.4
607.43494	65.2
608.44147	2.5
625.44531	100.0
626.44989	2.5
629.35876	1.8
787.49646	1.6
848.31989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	7.8
71.29764	1.6
73.02901	1.8
73.36635	1.5
76.57005	1.8
79.05476	88.3
79.70252	1.8
81.03402	6.7
81.07041	98.8
83.04972	10.4
83.08607	11.1
85.02901	14.9
85.06538	6.5
86.09684	2.2
91.03934	4.4
91.05462	100.0
93.07030	92.6
95.04961	26.5
95.08588	56.6
97.02864	8.6
97.06507	13.2
97.10159	10.3
97.54122	1.6
99.08085	2.1
103.05500	2.1
104.10740	4.2
105.07021	97.8
107.04975	11.6
107.08589	55.7
109.06521	8.4
109.10149	21.5
111.08092	2.6
115.05447	3.4
116.06303	1.6
117.06995	35.4
119.08561	68.8
121.06476	2.3
121.10114	29.6
123.08077	9.1
123.11697	6.7
125.09618	3.5
126.64185	2.0
127.03946	3.4
128.06203	6.7
129.07001	20.9
131.08545	50.4
133.10114	56.4
135.07964	2.6
135.11697	22.1
137.09627	3.1
141.07010	3.7
142.07764	2.6
143.08542	25.7
145.06526	2.6
145.10104	44.5
147.11678	37.1
149.09586	7.7
149.13281	12.3
151.11282	1.9
155.08536	14.5
157.10114	20.6
158.10870	2.2
159.08014	1.8
159.11678	31.2
161.09598	3.4
161.13235	18.3
163.11174	3.0
167.08578	3.7
169.10127	11.1
171.11659	22.4
173.13243	18.2
175.11154	3.6
175.14827	3.5
177.12637	1.9
180.80026	1.9
181.10152	8.6
183.11700	11.8
184.07321	6.8
185.13275	17.5
187.14813	3.5
189.16438	2.3
193.10236	2.3
195.11772	8.7
197.13281	10.4
199.14874	9.8
207.11800	3.2
209.13208	4.2
211.14798	3.1
213.16400	3.9
215.17918	2.4
221.13242	3.1
223.14795	3.5
225.16316	2.7
227.17766	2.0
237.16426	2.8
239.17879	2.9
241.19513	12.6
255.15800	2.5
257.19016	4.1
259.20547	33.3
262.06793	1.9
267.15771	2.2
269.17352	13.2
273.18582	2.3
275.20123	13.0
315.23141	2.6
323.23672	2.2
333.24182	37.3
335.25888	3.4
349.23871	13.0
367.24356	3.1
444.13516	1.9
467.37289	2.1
477.03445	1.9
509.35980	3.9
513.35565	22.1
515.37976	3.2
520.33453	3.6
527.37299	43.8
531.36426	3.6
543.37421	2.6
545.38257	13.7
551.39905	2.0
567.40210	2.8
607.43378	38.9
623.43109	3.5
624.43567	7.7
625.44696	36.1
643.44806	2.7
689.41821	2.2
733.45746	3.8
766.18341	2.4
769.47943	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	1002.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	1.5
71.04974	7.2
73.02881	2.5
79.05480	92.1
81.03407	12.7
81.07045	99.0
83.04978	14.4
83.08611	17.2
85.02886	14.4
85.06535	2.9
91.03936	2.7
91.05465	100.0
93.07030	91.0
94.07313	1.5
95.04959	20.6
95.08001	2.7
95.08587	58.4
97.02895	13.1
97.06518	9.1
97.10152	9.2
99.08102	4.2
103.05450	2.3
105.07020	89.8
107.04929	12.0
107.08583	49.0
109.02898	1.8
109.06503	7.7
109.10149	26.8
111.08050	6.0
115.05456	6.1
117.06223	2.2
117.07008	35.6
119.08566	65.9
121.06499	7.1
121.10136	31.9
123.08038	3.1
123.11655	7.3
125.09621	6.2
127.03893	5.4
128.06194	4.6
129.06990	22.3
130.07771	1.6
131.08554	41.5
133.06468	2.3
133.10118	54.5
135.08037	8.4
135.11693	21.0
137.09639	2.3
141.06953	11.2
142.07790	5.5
143.08563	28.5
144.09319	1.4
145.04990	1.7
145.06491	2.2
145.10110	39.5
147.08076	3.1
147.10594	2.2
147.11681	35.1
149.09613	14.8
149.13232	8.3
151.11162	1.9
153.06944	1.6
154.07726	2.0
155.08540	15.6
156.09283	2.3
157.10101	21.6
159.11662	31.1
161.13258	15.7
163.11147	9.4
163.14818	1.8
167.08516	5.5
168.09328	2.0
169.10091	17.4
171.11665	25.6
173.04382	1.9
173.09628	1.4
173.13208	17.2
175.11124	5.8
175.14790	5.6
177.12637	1.7
179.08649	1.9
179.14270	1.9
181.10136	10.0
183.11662	14.5
185.13239	16.5
187.11191	1.4
187.14761	5.3
195.11676	10.7
195.13562	1.7
197.13229	9.9
199.14816	10.0
201.16371	1.5
209.13243	9.8
211.14812	2.3
213.16417	4.6
215.14404	1.6
215.17963	2.1
219.11731	1.8
221.13182	2.0
223.14809	6.5
225.16298	1.9
227.12833	2.9
235.14764	1.6
239.17955	2.3
241.19511	11.6
255.15846	7.8
257.18915	6.3
259.20517	31.3
269.17404	11.9
273.18564	2.6
273.21765	1.7
275.20023	14.2
277.21921	1.5
291.19257	1.8
292.96274	1.5
315.23117	2.1
323.23648	1.5
324.83740	1.6
333.24191	26.0
335.25821	2.5
347.22177	2.0
349.23810	13.8
367.24640	2.7
435.32401	7.9
453.33063	1.5
505.34885	1.6
509.36053	5.3
513.35718	27.9
515.37634	7.0
527.37256	48.4
528.38300	1.7
531.36548	6.8
533.39569	6.1
545.38574	9.9
551.39514	1.5
589.42944	2.1
607.43500	43.3
625.44617	48.3
635.39221	1.5
643.45404	2.5
671.41693	1.8
689.41992	5.2
769.48236	7.5
857.79413	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	1002.599
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	4.7
79.05484	81.4
81.03387	15.4
81.07042	100.0
83.04977	3.7
83.08614	7.3
85.02903	17.1
89.20734	3.6
91.03938	6.3
91.05460	78.4
93.07031	79.6
95.04953	25.8
95.08589	78.6
97.02865	7.2
97.06519	17.0
97.10143	5.9
105.07017	59.1
107.04968	13.7
107.08598	58.3
109.10152	40.7
109.83101	3.1
111.08086	3.9
117.07007	24.9
119.08561	44.5
121.06463	3.5
121.10127	28.7
123.08057	3.7
123.11644	4.5
127.02950	3.2
129.06946	5.7
131.08572	33.2
133.06483	4.0
133.10124	28.7
134.52136	3.0
135.11681	20.8
137.09642	4.1
143.08557	6.6
145.10129	24.3
147.11688	15.6
149.09612	14.3
149.13235	5.6
157.10120	4.2
159.11693	14.8
161.13210	5.3
162.25290	3.4
163.11223	5.0
169.10121	7.0
173.13208	5.1
183.11659	3.7
205.10884	3.0
222.19324	3.0
257.19070	4.5
261.21997	4.4
275.19995	18.3
291.19482	5.8
335.25851	49.1
349.23721	30.9
482.80692	3.5
489.35767	38.1
513.38782	5.2
529.38708	5.8
609.44836	58.7
619.25757	3.5
627.45886	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01348	1.2
71.04984	4.6
73.02897	1.8
77.03945	1.0
79.05479	82.4
81.03398	13.8
81.07041	100.0
83.04961	11.9
83.08609	17.0
85.02891	10.6
85.06535	4.7
91.03942	4.3
91.05463	96.9
93.07027	87.9
95.04949	17.9
95.05503	1.1
95.08588	50.9
97.02868	6.6
97.06524	13.4
97.10161	7.6
99.04417	1.4
99.08109	2.9
100.47227	0.7
103.05463	3.3
105.04537	1.9
105.07018	86.4
106.07367	0.9
107.04934	10.0
107.07864	1.8
107.08585	53.4
109.02911	1.2
109.06515	7.4
109.07161	0.8
109.09364	1.1
109.10131	18.4
111.04407	0.8
111.08092	4.9
115.05447	4.5
116.06154	0.8
117.07010	36.7
119.04925	1.2
119.08566	63.4
120.08926	0.8
121.06496	5.7
121.09262	1.2
121.10129	31.6
123.08072	4.1
123.11657	5.8
125.09631	4.1
127.03923	4.0
128.06213	7.8
129.06999	19.5
130.07750	3.3
131.08546	44.8
133.06494	3.2
133.10118	51.1
133.11153	1.7
135.08049	6.2
135.11667	22.0
137.09625	4.5
138.41718	0.8
139.11130	0.9
141.06963	7.4
142.07777	5.6
143.08554	23.2
144.09314	1.8
145.04916	1.2
145.06496	1.6
145.10110	40.4
147.08090	3.2
147.11676	29.8
149.09622	8.5
149.13245	12.8
151.11160	3.5
154.07773	0.9
155.08539	11.5
156.09364	3.1
157.10091	20.8
157.11183	1.1
159.08119	1.1
159.10373	1.2
159.11684	33.5
161.09601	1.7
161.13217	15.7
163.11174	7.3
163.14777	1.9
167.08575	5.2
168.09308	1.0
169.10110	13.5
171.08150	1.2
171.11655	21.8
173.09552	1.7
173.13235	15.1
175.11192	3.5
175.14789	6.0
177.12759	3.8
179.14343	1.1
181.10143	7.0
181.72951	0.9
183.08075	0.9
183.11673	11.6
185.09682	1.1
185.13255	13.8
187.11102	1.3
187.14816	6.0
189.12743	1.1
193.10158	2.8
195.11679	7.1
195.13496	1.6
197.09692	0.8
197.13210	8.3
199.14813	9.0
201.12796	1.0
201.16351	1.6
207.11699	1.8
209.13243	6.3
211.14890	4.5
213.16380	3.9
221.13269	2.9
223.14824	4.5
225.16466	1.2
227.18056	1.1
231.17377	1.2
231.21034	1.9
233.13225	1.2
235.14734	1.5
237.16318	1.7
239.17938	3.2
241.19490	11.1
243.17482	1.0
243.21062	1.3
247.20515	0.9
253.14124	0.9
255.15581	5.9
257.18988	3.4
259.20532	28.2
260.20840	1.2
260.65717	0.8
261.22058	1.4
263.17752	1.2
267.15768	3.1
269.17392	17.9
273.18442	1.5
275.20004	12.4
283.20612	0.9
291.19434	1.1
315.23209	3.4
327.23044	1.2
331.22513	0.9
333.24237	25.4
335.25781	4.7
339.23080	1.2
341.24759	1.1
349.23767	8.4
351.25461	1.7
353.24640	0.9
365.23282	2.0
367.24707	4.9
373.23605	0.9
417.31308	3.3
435.32190	6.5
445.16403	1.0
453.33411	4.1
471.34451	3.7
473.34204	1.1
487.33887	1.8
495.35135	1.3
501.35406	1.5
503.37622	1.2
509.36258	7.0
513.35541	17.3
515.37793	3.7
517.39075	1.2
527.37238	73.1
528.37274	1.4
531.36700	4.6
533.40234	1.4
539.37183	1.0
545.38281	11.5
597.44501	1.6
607.34637	1.3
607.43542	25.9
623.42847	1.5
624.42694	1.8
625.44525	28.9
626.45386	1.0
643.45282	1.7
653.40143	1.7
663.95386	1.2
671.40967	3.6
689.42200	4.6
733.46539	1.7
751.46552	1.0
769.48120	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	1002.5985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	5.2
73.02902	6.2
79.05476	79.8
81.03397	8.6
81.07040	91.8
83.04955	10.8
83.08598	14.3
85.02892	19.0
85.06493	1.8
90.15908	1.8
91.03941	7.7
91.04891	3.2
91.05460	100.0
92.05792	1.5
93.07024	83.0
94.07350	2.0
95.04947	18.6
95.08586	53.4
96.08904	1.9
97.02851	13.5
97.06509	10.5
97.10129	2.9
99.04429	2.7
99.08109	2.0
103.05457	2.7
103.50517	1.3
104.06158	1.5
105.04526	1.9
105.07013	92.3
106.07381	2.3
107.04923	9.4
107.08583	42.5
108.08930	1.8
109.06507	6.6
109.10150	26.1
111.04416	1.9
111.08063	3.5
115.05428	7.6
115.40202	1.3
116.06223	1.7
117.06998	42.6
117.60226	1.7
119.08568	63.3
121.06483	3.7
121.10112	30.0
122.10405	1.8
123.08057	3.6
123.11687	5.7
125.09597	2.0
127.03883	2.6
128.06197	8.5
129.05482	2.0
129.06975	30.2
130.07794	2.6
131.08542	51.1
133.06410	2.0
133.10115	55.1
134.10410	3.0
135.08064	7.2
135.11671	17.2
141.06953	9.6
142.07787	8.9
143.08554	29.3
144.09219	2.3
145.04936	1.9
145.06503	2.2
145.10104	37.8
147.11659	26.8
149.09547	5.7
149.13237	9.1
151.11133	3.5
155.08527	15.1
157.10121	28.0
159.07980	2.4
159.11678	29.5
161.09586	2.9
161.13226	15.3
163.11113	3.1
167.08514	8.2
169.10104	22.3
171.11658	26.0
173.13223	15.9
175.14854	3.2
178.10304	1.8
179.08646	1.9
181.09993	12.3
183.11690	18.1
185.13219	13.6
187.14803	8.4
189.16306	1.8
195.11641	9.1
197.13213	11.4
199.14760	10.3
201.12685	1.8
207.11690	3.3
209.13254	6.1
211.14839	3.3
213.16432	6.9
215.17812	2.7
221.13132	1.8
223.14807	2.9
225.16313	3.5
227.18124	1.6
235.14769	2.4
237.16266	2.3
241.19473	10.3
251.18037	2.2
253.14456	5.6
257.19016	2.7
259.20523	24.4
260.20868	2.1
265.19302	1.9
269.17484	3.7
273.18570	2.0
275.20047	2.8
291.19244	2.9
293.21396	1.6
319.74088	1.7
333.24271	18.4
334.24466	2.8
335.25656	9.5
349.23785	1.7
365.23157	6.1
366.23090	2.2
379.49866	1.6
453.33340	2.3
513.35583	3.8
515.37640	2.6
517.40161	3.4
527.37311	22.9
535.40979	2.0
591.43463	3.8
607.43097	9.7
609.44989	51.7
624.42914	7.0
625.44373	21.1
643.44727	3.2
658.84924	1.9
658.96387	1.6
770.35028	1.7
862.49854	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	1002.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	4.0
73.02905	1.7
79.05474	73.3
81.03005	0.7
81.03406	9.1
81.07040	100.0
82.07355	1.0
83.04970	18.8
83.08604	21.1
85.02888	9.8
85.06530	4.0
91.03915	3.8
91.05463	49.1
92.08667	1.4
92.30570	0.8
93.07022	69.0
95.04953	23.6
95.08585	48.8
97.02877	7.7
97.06535	9.0
97.10144	29.8
99.04411	3.9
103.48946	0.9
104.28236	0.9
105.04507	1.3
105.07014	36.9
106.07265	0.8
107.04935	14.2
107.08575	40.7
109.06509	12.4
109.10148	24.3
111.04420	17.0
111.08052	10.3
115.05422	1.9
117.06993	20.8
119.08563	36.9
121.06458	10.0
121.10126	24.7
123.08041	26.9
123.11651	4.7
125.09606	24.9
128.06172	1.5
129.05489	1.1
129.07004	10.3
130.07800	1.5
130.37775	1.0
131.08540	24.8
133.06464	4.2
133.10115	18.1
135.07993	10.2
135.11662	19.4
137.09612	8.1
137.13171	1.3
139.11163	1.4
141.07022	1.3
143.08536	10.5
145.06494	1.8
145.10117	22.2
147.08031	11.6
147.11688	8.4
149.09608	7.8
149.13271	6.9
152.89392	0.9
153.09094	4.2
153.12709	7.0
155.08548	1.8
157.10118	8.4
159.08089	2.0
159.11656	9.3
161.09596	9.4
161.13223	4.4
163.11151	22.1
163.14958	1.0
165.09076	4.9
165.12688	1.6
168.05510	1.0
169.10077	3.2
171.08044	1.7
171.11655	4.5
173.09575	5.7
173.13223	7.4
175.11163	5.1
177.12695	2.0
179.68011	0.9
181.10150	1.7
181.12195	8.7
183.11658	1.7
185.09576	1.0
185.13242	4.9
187.11127	1.1
189.11226	13.7
189.12773	1.5
191.10628	3.6
193.12230	4.7
195.11681	1.4
199.14738	1.8
201.16335	1.1
203.14180	1.0
223.13268	2.2
227.12755	14.9
227.17854	1.9
231.17244	1.1
243.21178	1.2
245.18919	4.4
249.14755	1.3
255.17448	2.2
261.22037	4.8
273.18433	26.7
275.20035	1.7
283.15402	1.6
291.19485	60.2
309.20590	13.4
333.24060	1.3
335.25729	68.9
336.26004	4.0
347.21970	7.4
365.23163	36.7
383.24197	32.8
529.38232	1.4
543.36249	1.2
545.37305	1.5
551.40924	1.8
561.37451	1.2
607.43414	6.9
624.42578	1.3
625.44513	60.5
626.44647	2.0
643.45551	79.4
644.45508	4.3
885.84229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04975	3.4
75.93935	0.7
79.05477	56.5
81.03394	12.1
81.07039	61.7
83.04980	10.6
83.08598	9.7
85.02885	3.9
85.06528	3.3
91.05464	77.3
92.09277	1.0
93.07026	52.5
95.01328	9.2
95.04947	18.0
95.08009	1.8
95.08591	40.8
96.11465	0.8
97.02882	3.4
97.06515	21.4
97.10147	3.7
97.12125	0.8
99.08086	1.9
103.05455	2.0
105.04536	1.3
105.07015	100.0
107.04218	0.8
107.04943	23.1
107.08582	24.9
109.06520	4.1
109.10139	9.8
111.08073	3.8
113.09579	0.9
114.04520	0.8
115.05458	3.5
117.07004	24.8
119.08566	56.8
121.06467	4.7
121.10131	12.8
123.04447	1.6
123.08041	6.7
123.11716	1.8
125.09598	3.4
129.06984	8.2
130.07756	1.3
131.07642	1.1
131.08539	30.6
133.06477	1.6
133.10106	47.0
135.08070	4.8
135.11676	13.0
137.09621	3.5
141.06981	3.2
143.08543	8.3
145.06480	3.9
145.10110	22.2
147.08102	1.1
147.11667	20.2
149.09622	10.0
149.13234	5.9
151.11185	1.8
155.08504	3.1
157.10100	6.5
159.08020	1.6
159.11690	16.1
161.09598	1.1
161.13203	10.3
163.11125	8.1
165.09067	1.2
167.08679	0.9
169.10124	3.9
171.10284	1.0
171.11636	5.8
173.13246	8.1
175.11195	1.4
175.14767	4.3
177.12645	3.0
179.14258	11.0
183.11697	3.6
185.13159	3.1
187.11182	3.9
196.58626	0.8
197.13304	1.4
215.18045	1.1
239.17842	2.9
240.83252	1.0
241.19478	5.3
247.16982	0.9
247.20493	3.0
257.18948	6.5
259.20538	8.8
269.17429	9.8
275.20004	61.0
279.15921	1.0
283.15298	1.1
289.17905	1.7
293.21060	4.1
315.23117	1.4
331.22482	1.2
333.24167	15.6
335.25690	3.9
349.23688	38.8
414.45624	0.9
418.05310	1.0
488.57233	0.9
543.36786	48.6
555.37109	1.2
555.94373	1.1
595.03815	1.0
607.43451	44.0
623.43164	19.1
625.44489	9.5
641.43530	5.3
651.37714	0.9
687.40472	1.2
783.03729	0.9
920.09106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	6.8
73.97852	1.0
79.05477	68.4
81.03405	9.2
81.07042	82.9
83.04968	20.1
83.08605	11.9
85.02882	7.8
85.06516	2.5
86.98621	1.1
88.06333	1.1
91.03908	2.2
91.05465	100.0
92.09325	1.2
93.07025	72.3
95.04951	21.8
95.08582	39.1
97.02891	2.9
97.06490	6.1
97.10142	6.1
103.05409	2.0
105.04530	1.4
105.07014	89.2
107.04940	12.2
107.08587	52.9
109.06512	9.7
109.10146	46.9
111.04389	1.7
111.08028	4.8
115.05446	2.2
116.06139	1.5
117.06990	21.4
119.08559	49.0
121.06470	6.4
121.10126	26.4
123.08034	7.8
123.11656	8.8
125.09615	3.1
127.03828	1.5
128.06235	4.8
129.06981	16.3
130.07765	1.5
131.08549	32.1
133.06468	2.8
133.10107	81.0
135.08063	10.1
135.11681	16.0
137.09601	2.1
139.10979	1.2
141.06961	3.1
142.07697	1.7
143.08536	17.5
145.06493	2.2
145.10124	26.9
147.08031	5.5
147.11668	26.3
149.09589	5.8
149.13248	5.8
151.11159	17.5
155.08542	5.1
156.05670	1.3
157.10083	13.3
159.08003	1.7
159.11661	15.0
161.09616	8.5
161.13216	15.5
163.11147	6.4
163.14931	1.4
167.08504	2.1
169.10046	5.9
169.12227	1.7
171.11655	14.6
173.09673	4.9
173.13234	8.1
175.11111	2.1
175.14793	5.0
181.10149	1.6
183.11688	3.0
185.13274	6.9
187.11111	1.3
187.14787	2.3
189.12834	1.3
195.11664	2.7
197.13228	2.7
199.14807	5.1
203.14288	2.0
211.14830	1.6
213.16342	1.6
221.13376	1.6
223.14955	1.5
225.16447	1.7
227.17931	2.0
237.16364	1.5
241.19405	9.6
245.19034	1.7
253.11859	2.6
253.14302	44.7
257.18945	2.4
259.09964	1.3
259.20514	27.7
273.18362	10.8
275.19907	1.6
275.91635	1.4
283.15268	2.9
289.17935	6.1
291.19452	11.2
299.19879	1.4
315.23166	2.8
333.24216	25.7
335.25766	26.0
339.14606	1.3
363.21518	4.9
365.23209	25.1
381.22882	4.5
381.60715	1.5
419.29114	1.9
455.31400	1.7
470.49957	1.3
501.35544	2.4
511.34256	15.0
525.35718	2.0
529.35284	15.6
531.38007	2.9
543.36713	8.8
549.39117	2.3
605.41827	13.1
623.42993	68.6
641.44189	24.3
791.15851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	1.5
72.28071	0.9
73.02892	1.1
79.05479	53.1
81.03419	7.3
81.07041	71.4
83.04974	8.9
83.08600	9.8
85.02885	12.1
91.03935	4.3
91.04886	1.5
91.05461	40.3
92.09322	3.2
93.07025	54.0
94.07333	0.8
95.04945	15.9
95.08004	1.8
95.08591	41.8
97.02895	9.8
97.06524	9.4
97.10146	12.8
99.00802	1.3
99.04426	1.3
99.08080	1.9
105.04520	1.4
105.07015	26.2
107.04936	12.2
107.07872	1.6
107.08583	31.6
109.02869	4.9
109.06487	8.6
109.10145	19.4
111.04456	4.6
111.08056	4.4
115.05435	1.8
117.07011	13.7
119.08566	23.5
121.02869	2.1
121.06495	5.9
121.10115	20.5
123.04436	1.0
123.08059	4.0
123.11691	5.3
125.05970	1.1
125.09578	9.0
127.03916	2.4
128.06194	1.1
129.06987	6.7
131.08527	17.3
131.59140	0.9
133.06502	2.3
133.10103	17.4
135.08051	14.3
135.11687	12.2
137.09566	2.3
141.06918	1.2
143.08534	4.7
145.06458	5.3
145.10094	13.9
147.08034	5.3
147.11676	7.8
147.41989	1.2
149.09656	1.7
149.13223	7.4
151.11246	1.4
153.09103	1.5
153.12683	2.1
155.08527	1.9
157.10118	4.6
159.08075	7.3
159.11684	5.3
161.09601	4.3
161.13249	3.7
163.06229	1.0
163.07443	7.1
163.11171	1.4
163.14775	1.8
169.10104	1.5
169.96851	1.0
171.08032	2.1
171.11665	1.4
173.09601	3.9
173.13269	4.6
174.28104	1.1
175.14696	1.5
179.10603	2.3
183.11714	1.1
187.14769	3.9
189.08990	1.2
189.11160	4.3
191.10645	1.1
193.12195	12.6
227.12732	6.5
233.15359	1.5
243.17503	1.7
243.20934	1.9
259.20432	1.2
261.18655	1.4
261.22052	10.3
271.16934	2.4
283.15482	1.9
289.17960	13.8
291.19507	1.6
307.19064	3.8
317.24933	1.7
335.25772	71.4
363.21542	6.3
381.22656	48.3
381.27563	1.6
527.36682	1.4
531.37964	1.4
543.36517	5.7
561.36908	1.4
571.39917	1.3
580.96649	1.2
605.40802	1.2
623.42981	22.7
629.67529	1.2
641.44049	100.0
659.44495	1.7
926.15100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	2.1
72.90691	0.9
77.03889	1.4
79.05475	79.0
80.00903	0.9
81.03400	13.8
81.07040	73.6
83.04976	10.1
83.08601	20.4
85.02892	7.7
85.06525	2.3
91.03928	2.1
91.05462	78.9
93.07024	75.2
95.04947	25.8
95.08583	49.2
97.02859	14.7
97.06515	8.7
97.10152	21.8
99.04453	1.2
99.08090	1.1
103.05451	3.7
105.04530	1.2
105.07014	76.8
107.04935	12.6
107.08584	51.6
107.88590	0.9
108.05694	0.9
109.06499	8.9
109.10142	26.4
111.04415	4.6
111.08059	6.6
115.05458	4.9
117.07000	30.4
119.04968	1.1
119.07705	2.2
119.08559	62.1
121.06480	9.1
121.10126	24.5
121.71130	0.9
123.08040	8.4
123.11664	3.4
125.09596	18.6
128.06204	4.5
129.05493	1.2
129.06990	19.1
130.07742	4.4
131.07628	1.9
131.08543	40.1
133.06499	5.7
133.10109	40.1
134.07251	0.9
135.04359	1.0
135.06085	1.0
135.08029	10.9
135.11688	17.8
137.09561	4.0
141.06947	4.1
142.07773	1.7
143.08549	19.7
144.09306	1.4
145.06458	2.3
145.10126	31.0
147.08028	10.9
147.10593	1.5
147.11671	29.6
149.09615	5.6
149.13246	7.5
151.11174	2.2
153.09071	4.1
153.12747	1.4
154.07736	1.6
155.08568	9.0
157.10118	17.1
159.08035	1.6
159.11665	19.5
161.09592	5.3
161.13216	15.6
163.11122	9.6
163.14806	2.2
167.08554	2.3
169.10007	6.7
171.07935	1.0
171.11642	14.3
173.09566	3.8
173.11871	1.7
173.13164	10.2
175.11111	4.8
175.14769	7.6
177.12766	1.6
181.10033	4.5
181.12338	1.4
183.11705	5.8
185.09546	1.1
185.13211	11.7
187.11111	1.0
187.14796	3.5
189.11284	7.8
189.12680	2.0
189.16270	1.0
191.10616	1.2
193.12157	2.2
195.11705	3.9
197.13272	5.5
199.14828	4.7
201.16351	2.1
205.12285	1.9
207.11691	1.3
209.11656	1.2
209.13374	1.6
211.14827	1.3
213.16328	1.5
215.17798	1.4
223.13213	22.7
225.16418	1.4
227.12701	10.4
227.17882	1.4
231.21046	1.8
237.16364	1.9
239.17894	1.6
241.19449	15.1
245.13470	1.3
249.14691	1.6
253.14296	2.3
257.18918	4.6
259.20523	30.4
271.17133	1.4
273.18448	13.0
275.20004	3.7
283.15338	8.7
289.17789	6.5
291.19489	100.0
299.20120	1.5
299.23529	1.6
307.19162	1.2
315.23157	5.5
333.24219	33.5
335.25757	28.9
349.23819	1.9
365.23184	40.1
379.29980	3.6
381.22650	11.8
381.27338	1.4
401.92645	1.1
433.31033	1.1
469.32889	1.2
511.33893	1.6
513.36658	1.2
514.71069	1.1
525.35840	13.9
529.35059	4.8
531.38153	2.0
543.36719	42.1
549.38812	4.0
605.42041	16.0
623.42975	80.7
641.43994	38.0
687.41394	1.2
698.43036	1.1
767.46600	1.9
785.47485	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	1000.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	5.3
77.03941	1.1
79.05477	55.5
81.03396	15.1
81.07040	70.7
83.04946	11.2
83.08614	10.8
83.68928	1.2
85.02862	4.5
85.06525	2.0
91.05463	73.3
92.09301	2.5
93.07025	52.8
93.07626	1.7
95.01308	9.6
95.04944	18.2
95.08008	2.0
95.08588	43.9
97.06503	29.9
97.10128	2.8
103.05455	2.5
105.04502	2.4
105.07018	92.9
107.04955	22.5
107.08581	25.5
108.27050	1.1
109.02837	1.3
109.06494	8.3
109.10153	14.0
113.09634	1.3
115.05428	2.0
117.06250	1.4
117.06999	26.5
119.08567	54.0
121.06472	6.6
121.10126	14.7
123.08037	5.2
123.11681	2.1
125.09566	6.3
128.06276	1.9
129.06969	5.0
131.07628	2.0
131.08542	29.9
133.10107	47.0
135.08020	5.1
135.11671	10.9
137.09593	5.4
138.06133	1.2
141.06982	2.1
143.08543	7.7
145.06425	2.5
145.10103	22.2
147.08014	1.4
147.11694	17.1
149.09647	9.4
149.13203	5.5
151.11186	2.2
155.08530	1.9
157.10092	5.8
159.07977	1.4
159.11653	14.4
161.09532	1.6
161.13190	6.7
163.11171	7.2
165.09038	1.8
168.23947	1.3
169.10115	1.6
171.11638	2.0
173.13208	1.4
175.14746	1.6
177.12674	2.6
179.14293	11.5
187.11160	2.6
195.13744	1.5
197.13272	2.1
208.33928	1.3
219.17375	5.2
239.17969	2.3
247.20578	1.5
257.18896	5.2
259.20255	1.3
269.17471	9.7
275.20029	59.7
291.19592	2.2
293.21036	1.5
331.22598	1.7
333.24435	1.6
335.25671	2.1
349.23697	46.6
365.22949	1.7
503.33585	1.6
519.33069	2.3
525.35016	1.7
529.35089	25.0
543.36755	100.0
605.41382	1.5
623.43042	58.9
641.43927	18.9
687.40771	7.3
785.47546	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	1000.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04958	1.2
73.02912	1.3
79.05479	53.7
81.03405	10.8
81.07040	67.0
83.04957	10.8
83.08605	11.0
83.55776	0.8
85.02884	2.3
85.06532	2.4
91.05464	66.2
93.07024	48.9
95.01309	6.2
95.04951	14.8
95.08589	31.7
97.02880	5.2
97.06514	24.4
97.10143	9.8
99.08064	1.4
103.05414	1.2
105.07018	75.4
107.04948	15.5
107.08590	31.2
109.06510	6.9
109.10164	13.1
111.08087	3.9
113.09603	1.0
115.05434	1.4
117.07006	24.2
119.08562	48.3
121.06473	5.4
121.10126	16.5
123.08061	5.3
123.11683	4.6
125.09609	6.6
128.06200	1.7
129.06992	10.0
131.07640	1.5
131.08563	27.1
131.09531	1.0
133.06474	1.9
133.10118	45.4
135.08037	6.1
135.11658	12.9
137.09608	2.0
141.06950	4.2
142.07823	1.2
143.08546	7.4
145.06476	1.2
145.10120	26.7
147.08076	2.3
147.11678	17.8
149.09642	9.0
149.13246	7.4
151.11157	1.9
155.08548	1.5
157.10103	6.9
159.08005	1.0
159.11664	17.4
161.09599	1.1
161.13226	9.6
163.11218	6.9
165.09035	1.6
169.10118	2.2
171.11658	6.1
173.09630	1.1
173.13239	5.7
175.14851	1.1
177.12741	5.0
179.14288	9.2
183.11632	4.2
185.13258	2.0
187.11134	3.8
195.13788	1.5
197.13225	2.2
205.12224	1.5
207.11919	1.1
211.14836	1.2
223.13133	2.0
227.12807	3.9
239.17889	2.0
241.19505	4.0
247.20624	1.3
249.14796	3.3
251.16206	1.7
255.15903	2.2
257.19141	3.4
259.20587	8.6
268.93915	1.0
269.17426	15.2
273.18323	4.3
275.20029	39.9
291.19510	29.2
293.21127	1.7
315.23083	1.7
333.24329	10.0
335.25726	2.3
349.23691	26.7
365.23340	10.9
367.24634	1.6
381.22876	1.0
413.21890	1.5
525.35486	4.7
529.35168	17.1
543.36737	100.0
544.36755	1.9
605.41559	2.2
623.43005	51.5
641.43958	20.6
687.41486	6.8
785.47992	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	1000.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	68.4
81.03411	11.4
81.07035	83.8
83.04966	15.7
83.08595	11.0
85.02892	18.0
90.71353	2.5
91.03902	3.2
91.05460	55.3
93.07027	83.7
95.04959	23.9
95.08595	48.5
96.64141	2.5
97.02887	14.2
97.10155	14.7
105.07037	40.8
107.04947	12.9
107.08579	41.8
109.06511	11.4
109.10136	20.9
111.08067	4.7
117.07009	24.4
117.07726	2.8
119.08582	24.1
121.06442	4.7
121.10121	24.0
123.08031	4.4
125.09573	5.8
129.06985	11.3
131.08577	18.2
133.10080	26.0
135.04391	2.8
135.08032	14.4
135.09872	2.8
135.11662	11.8
137.09622	6.2
142.07793	4.0
143.08525	5.1
145.06438	5.3
145.10136	11.7
147.11694	5.4
149.13246	3.8
153.12685	4.2
153.42596	2.6
155.08559	3.3
159.08057	6.0
159.11749	4.0
161.09589	4.5
161.13252	4.0
163.07497	6.7
163.11250	3.4
163.14830	3.1
173.09602	2.8
175.11122	3.7
183.11884	2.8
193.12196	13.5
223.73058	2.8
227.12672	3.5
243.21008	4.8
261.22174	13.6
271.16806	5.1
275.20010	2.8
283.15323	3.4
289.18002	26.6
307.18942	3.2
335.25766	96.9
363.21658	5.3
381.22644	93.6
397.30814	3.5
485.69968	3.0
543.36639	6.4
623.42969	37.5
641.44080	100.0
659.45630	5.5
672.69940	3.3
714.25677	3.5
961.61938	3.3
END